USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=8 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= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0472 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -0.276 (180deg=-1.93!) 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= 1.12 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= -0.071 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ -156:sc= -0.258 (180deg=-1.95!) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -4.990 -15.627 30.903 1.00 0.37 N ATOM 93 CA ILE A 8 -6.342 -15.331 31.469 1.00 0.37 C ATOM 94 C ILE A 8 -7.070 -14.315 30.588 1.00 0.32 C ATOM 95 O ILE A 8 -6.493 -13.356 30.135 1.00 0.30 O ATOM 96 CB ILE A 8 -6.078 -14.740 32.851 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.203 -15.700 33.659 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.406 -14.526 33.578 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.843 -15.060 35.001 1.00 1.36 C ATOM 0 HA ILE A 8 -6.969 -16.221 31.520 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.565 -13.784 32.744 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.731 -16.639 33.823 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.296 -15.937 33.103 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.217 -14.104 34.565 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.029 -13.840 33.004 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.921 -15.481 33.684 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.220 -15.745 35.575 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.298 -14.132 34.827 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.755 -14.846 35.558 1.00 1.36 H new ATOM 111 N VAL A 9 -8.313 -14.555 30.284 1.00 0.32 N ATOM 112 CA VAL A 9 -9.041 -13.635 29.358 1.00 0.29 C ATOM 113 C VAL A 9 -10.203 -12.944 30.076 1.00 0.32 C ATOM 114 O VAL A 9 -10.885 -13.533 30.892 1.00 0.37 O ATOM 115 CB VAL A 9 -9.558 -14.528 28.230 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.391 -13.690 27.257 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.369 -15.141 27.480 1.00 0.30 C ATOM 0 H VAL A 9 -8.858 -15.344 30.633 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.394 -12.841 28.986 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.176 -15.322 28.650 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.760 -14.326 26.452 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.235 -13.249 27.787 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.772 -12.897 26.838 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.736 -15.778 26.675 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.754 -14.345 27.061 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.771 -15.736 28.170 1.00 0.30 H new ATOM 127 N ARG A 10 -10.459 -11.709 29.737 1.00 0.31 N ATOM 128 CA ARG A 10 -11.607 -10.979 30.347 1.00 0.36 C ATOM 129 C ARG A 10 -12.464 -10.352 29.244 1.00 0.31 C ATOM 130 O ARG A 10 -12.031 -10.207 28.122 1.00 0.27 O ATOM 131 CB ARG A 10 -10.972 -9.895 31.220 1.00 0.40 C ATOM 132 CG ARG A 10 -12.066 -9.155 31.991 1.00 0.73 C ATOM 133 CD ARG A 10 -11.441 -8.006 32.787 1.00 0.86 C ATOM 134 NE ARG A 10 -10.487 -8.661 33.724 1.00 1.13 N ATOM 135 CZ ARG A 10 -10.930 -9.284 34.784 1.00 1.36 C ATOM 136 NH1 ARG A 10 -12.213 -9.335 35.027 1.00 1.61 N ATOM 137 NH2 ARG A 10 -10.089 -9.856 35.602 1.00 1.91 N ATOM 0 H ARG A 10 -9.918 -11.171 29.059 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.257 -11.633 30.928 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.262 -10.343 31.915 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.413 -9.195 30.600 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.815 -8.768 31.300 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.579 -9.841 32.665 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.929 -7.303 32.130 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -12.201 -7.441 33.328 1.00 0.86 H new ATOM 0 HE ARG A 10 -9.485 -8.623 33.538 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.871 -8.888 34.389 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -12.556 -9.822 35.855 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -9.087 -9.816 35.414 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -10.433 -10.343 36.430 1.00 1.91 H new ATOM 151 N LYS A 11 -13.688 -10.014 29.542 1.00 0.32 N ATOM 152 CA LYS A 11 -14.575 -9.436 28.490 1.00 0.29 C ATOM 153 C LYS A 11 -14.357 -7.925 28.380 1.00 0.26 C ATOM 154 O LYS A 11 -14.063 -7.257 29.352 1.00 0.27 O ATOM 155 CB LYS A 11 -15.998 -9.744 28.957 1.00 0.33 C ATOM 156 CG LYS A 11 -16.211 -11.260 28.982 1.00 1.02 C ATOM 157 CD LYS A 11 -17.668 -11.565 29.336 1.00 1.03 C ATOM 158 CE LYS A 11 -17.853 -13.077 29.480 1.00 1.81 C ATOM 159 NZ LYS A 11 -19.129 -13.239 30.230 1.00 2.21 N ATOM 0 H LYS A 11 -14.112 -10.112 30.464 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.371 -9.855 27.504 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.165 -9.326 29.950 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.721 -9.276 28.289 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.964 -11.689 28.011 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.544 -11.720 29.712 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -17.940 -11.065 30.265 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.330 -11.179 28.561 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -17.903 -13.563 28.506 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -17.019 -13.527 30.018 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -19.324 -14.251 30.368 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -19.049 -12.772 31.156 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -19.906 -12.807 29.690 1.00 2.21 H new ATOM 173 N VAL A 12 -14.503 -7.380 27.202 1.00 0.22 N ATOM 174 CA VAL A 12 -14.306 -5.910 27.027 1.00 0.21 C ATOM 175 C VAL A 12 -15.586 -5.165 27.407 1.00 0.20 C ATOM 176 O VAL A 12 -16.661 -5.496 26.949 1.00 0.20 O ATOM 177 CB VAL A 12 -14.014 -5.717 25.538 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.415 -4.328 25.310 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.029 -6.785 25.058 1.00 0.28 C ATOM 0 H VAL A 12 -14.750 -7.888 26.353 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.502 -5.527 27.655 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.943 -5.809 24.976 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.207 -4.191 24.249 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.122 -3.568 25.642 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.488 -4.234 25.876 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.826 -6.642 23.997 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.099 -6.701 25.620 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.460 -7.774 25.214 1.00 0.28 H new ATOM 189 N ASP A 13 -15.485 -4.163 28.234 1.00 0.20 N ATOM 190 CA ASP A 13 -16.708 -3.409 28.629 1.00 0.21 C ATOM 191 C ASP A 13 -17.026 -2.333 27.580 1.00 0.22 C ATOM 192 O ASP A 13 -16.458 -2.317 26.506 1.00 0.22 O ATOM 193 CB ASP A 13 -16.384 -2.797 29.998 1.00 0.21 C ATOM 194 CG ASP A 13 -15.760 -1.412 29.835 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.562 -1.335 29.632 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.495 -0.443 29.916 1.00 0.55 O ATOM 0 H ASP A 13 -14.614 -3.834 28.652 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.592 -4.045 28.689 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.294 -2.724 30.594 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.699 -3.449 30.541 1.00 0.21 H new ATOM 201 N GLU A 14 -18.015 -1.522 27.830 1.00 0.23 N ATOM 202 CA GLU A 14 -18.474 -0.560 26.785 1.00 0.26 C ATOM 203 C GLU A 14 -17.331 0.347 26.309 1.00 0.26 C ATOM 204 O GLU A 14 -17.279 0.727 25.155 1.00 0.29 O ATOM 205 CB GLU A 14 -19.563 0.269 27.467 1.00 0.28 C ATOM 206 CG GLU A 14 -20.740 -0.634 27.836 1.00 1.22 C ATOM 207 CD GLU A 14 -21.854 0.209 28.461 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.609 1.374 28.728 1.00 1.99 O ATOM 209 OE2 GLU A 14 -22.932 -0.326 28.662 1.00 2.19 O ATOM 0 H GLU A 14 -18.526 -1.482 28.712 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.835 -1.079 25.897 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.164 0.747 28.362 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.897 1.066 26.803 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.111 -1.146 26.948 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.416 -1.404 28.536 1.00 1.22 H new ATOM 216 N LEU A 15 -16.486 0.789 27.196 1.00 0.23 N ATOM 217 CA LEU A 15 -15.442 1.776 26.790 1.00 0.24 C ATOM 218 C LEU A 15 -14.224 1.082 26.168 1.00 0.22 C ATOM 219 O LEU A 15 -13.307 1.730 25.706 1.00 0.24 O ATOM 220 CB LEU A 15 -15.043 2.497 28.077 1.00 0.28 C ATOM 221 CG LEU A 15 -13.882 3.450 27.782 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.200 4.277 26.535 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.680 4.387 28.974 1.00 1.38 C ATOM 0 H LEU A 15 -16.470 0.514 28.178 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.822 2.462 26.033 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.892 3.052 28.475 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.751 1.773 28.838 1.00 0.28 H new ATOM 0 HG LEU A 15 -12.974 2.872 27.611 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.372 4.955 26.327 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.346 3.611 25.684 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.108 4.855 26.704 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.854 5.067 28.766 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.590 4.963 29.142 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.452 3.800 29.864 1.00 1.38 H new ATOM 235 N GLY A 16 -14.174 -0.221 26.186 1.00 0.21 N ATOM 236 CA GLY A 16 -12.975 -0.912 25.631 1.00 0.19 C ATOM 237 C GLY A 16 -11.847 -0.895 26.666 1.00 0.20 C ATOM 238 O GLY A 16 -10.724 -0.528 26.371 1.00 0.20 O ATOM 0 H GLY A 16 -14.902 -0.832 26.556 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.225 -1.940 25.367 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.650 -0.418 24.715 1.00 0.19 H new ATOM 242 N ARG A 17 -12.147 -1.227 27.892 1.00 0.24 N ATOM 243 CA ARG A 17 -11.104 -1.169 28.952 1.00 0.26 C ATOM 244 C ARG A 17 -10.802 -2.578 29.470 1.00 0.26 C ATOM 245 O ARG A 17 -11.628 -3.466 29.403 1.00 0.26 O ATOM 246 CB ARG A 17 -11.714 -0.307 30.057 1.00 0.28 C ATOM 247 CG ARG A 17 -11.868 1.130 29.554 1.00 0.28 C ATOM 248 CD ARG A 17 -12.418 2.011 30.677 1.00 0.29 C ATOM 249 NE ARG A 17 -13.829 1.573 30.851 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.675 2.336 31.497 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.271 3.461 32.025 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.923 1.976 31.615 1.00 1.15 N ATOM 0 H ARG A 17 -13.068 -1.535 28.204 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.163 -0.757 28.588 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.684 -0.707 30.351 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.079 -0.328 30.942 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.905 1.513 29.216 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.540 1.156 28.696 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.848 1.881 31.597 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.362 3.067 30.414 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.137 0.679 30.468 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.296 3.746 31.934 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -14.931 4.054 32.528 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.242 1.099 31.204 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.580 2.572 32.119 1.00 1.15 H new ATOM 266 N VAL A 18 -9.626 -2.785 29.994 1.00 0.26 N ATOM 267 CA VAL A 18 -9.272 -4.131 30.529 1.00 0.25 C ATOM 268 C VAL A 18 -8.846 -4.010 31.992 1.00 0.24 C ATOM 269 O VAL A 18 -8.434 -2.959 32.440 1.00 0.24 O ATOM 270 CB VAL A 18 -8.103 -4.606 29.666 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.508 -4.569 28.191 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.900 -3.687 29.888 1.00 0.26 C ATOM 0 H VAL A 18 -8.893 -2.080 30.075 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.109 -4.828 30.494 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.838 -5.626 29.943 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.674 -4.908 27.576 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.365 -5.223 28.033 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.774 -3.549 27.912 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.066 -4.025 29.273 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.165 -2.667 29.611 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.611 -3.714 30.939 1.00 0.26 H new ATOM 282 N VAL A 19 -9.030 -5.046 32.763 1.00 0.22 N ATOM 283 CA VAL A 19 -8.737 -4.944 34.221 1.00 0.21 C ATOM 284 C VAL A 19 -7.545 -5.825 34.594 1.00 0.22 C ATOM 285 O VAL A 19 -7.490 -6.990 34.252 1.00 0.23 O ATOM 286 CB VAL A 19 -10.006 -5.441 34.911 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.908 -5.177 36.415 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.219 -4.705 34.340 1.00 0.24 C ATOM 0 H VAL A 19 -9.369 -5.955 32.449 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.478 -3.927 34.517 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.117 -6.511 34.738 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.814 -5.532 36.906 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.045 -5.704 36.821 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.796 -4.107 36.590 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.125 -5.060 34.832 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.109 -3.634 34.511 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.290 -4.896 33.269 1.00 0.24 H new ATOM 298 N ILE A 20 -6.642 -5.307 35.381 1.00 0.22 N ATOM 299 CA ILE A 20 -5.517 -6.146 35.877 1.00 0.24 C ATOM 300 C ILE A 20 -5.980 -6.975 37.080 1.00 0.24 C ATOM 301 O ILE A 20 -6.590 -6.452 37.986 1.00 0.23 O ATOM 302 CB ILE A 20 -4.440 -5.137 36.291 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.669 -4.682 35.051 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.473 -5.781 37.286 1.00 0.24 C ATOM 305 CD1 ILE A 20 -2.892 -3.404 35.373 1.00 1.38 C ATOM 0 H ILE A 20 -6.636 -4.339 35.701 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.150 -6.850 35.131 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.916 -4.278 36.764 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.983 -5.465 34.728 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -4.359 -4.503 34.226 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.711 -5.056 37.574 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.022 -6.102 38.171 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.995 -6.644 36.823 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.343 -3.080 34.489 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -3.588 -2.621 35.675 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -2.191 -3.599 36.185 1.00 1.38 H new ATOM 317 N PRO A 21 -5.609 -8.225 37.083 1.00 0.28 N ATOM 318 CA PRO A 21 -5.922 -9.106 38.238 1.00 0.30 C ATOM 319 C PRO A 21 -5.282 -8.546 39.510 1.00 0.28 C ATOM 320 O PRO A 21 -4.205 -7.990 39.478 1.00 0.27 O ATOM 321 CB PRO A 21 -5.305 -10.455 37.862 1.00 0.35 C ATOM 322 CG PRO A 21 -4.390 -10.181 36.707 1.00 0.35 C ATOM 323 CD PRO A 21 -4.875 -8.927 36.032 1.00 0.32 C ATOM 0 HA PRO A 21 -6.991 -9.186 38.436 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.757 -10.881 38.702 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.076 -11.174 37.587 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.363 -10.058 37.052 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.393 -11.018 36.009 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.045 -8.329 35.656 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.516 -9.154 35.180 1.00 0.32 H new ATOM 331 N ILE A 22 -5.941 -8.668 40.629 1.00 0.30 N ATOM 332 CA ILE A 22 -5.368 -8.111 41.890 1.00 0.30 C ATOM 333 C ILE A 22 -3.968 -8.673 42.131 1.00 0.32 C ATOM 334 O ILE A 22 -3.102 -7.998 42.650 1.00 0.32 O ATOM 335 CB ILE A 22 -6.327 -8.562 42.994 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.007 -7.808 44.287 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.164 -10.064 43.229 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.282 -6.317 44.091 1.00 1.11 C ATOM 0 H ILE A 22 -6.847 -9.127 40.727 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.269 -7.026 41.854 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.353 -8.350 42.692 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.613 -8.196 45.106 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.964 -7.963 44.562 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.847 -10.385 44.015 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.390 -10.603 42.309 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.138 -10.276 43.530 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.054 -5.781 45.012 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.657 -5.935 43.284 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.332 -6.171 43.837 1.00 1.11 H new ATOM 350 N GLU A 23 -3.729 -9.889 41.739 1.00 0.36 N ATOM 351 CA GLU A 23 -2.370 -10.468 41.929 1.00 0.40 C ATOM 352 C GLU A 23 -1.329 -9.599 41.216 1.00 0.37 C ATOM 353 O GLU A 23 -0.226 -9.411 41.690 1.00 0.39 O ATOM 354 CB GLU A 23 -2.438 -11.852 41.281 1.00 0.44 C ATOM 355 CG GLU A 23 -1.124 -12.597 41.528 1.00 1.22 C ATOM 356 CD GLU A 23 -1.006 -12.946 43.013 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.034 -13.041 43.663 1.00 2.01 O ATOM 358 OE2 GLU A 23 0.111 -13.113 43.474 1.00 2.37 O ATOM 0 H GLU A 23 -4.410 -10.506 41.297 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.083 -10.521 42.979 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.273 -12.418 41.695 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.618 -11.755 40.210 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -1.090 -13.505 40.926 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -0.280 -11.979 41.221 1.00 1.22 H new ATOM 365 N LEU A 24 -1.689 -9.043 40.093 1.00 0.34 N ATOM 366 CA LEU A 24 -0.742 -8.167 39.350 1.00 0.33 C ATOM 367 C LEU A 24 -0.789 -6.739 39.893 1.00 0.29 C ATOM 368 O LEU A 24 0.205 -6.046 39.906 1.00 0.29 O ATOM 369 CB LEU A 24 -1.213 -8.209 37.896 1.00 0.33 C ATOM 370 CG LEU A 24 -1.066 -9.632 37.352 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.416 -9.650 35.863 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.380 -10.099 37.539 1.00 1.75 C ATOM 0 H LEU A 24 -2.603 -9.159 39.656 1.00 0.34 H new ATOM 0 HA LEU A 24 0.290 -8.504 39.452 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.253 -7.889 37.830 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.627 -7.515 37.293 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.740 -10.298 37.891 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.311 -10.664 35.477 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.444 -9.315 35.727 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.743 -8.984 35.323 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.488 -11.112 37.152 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.051 -9.431 36.999 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.632 -10.086 38.599 1.00 1.75 H new ATOM 384 N ARG A 25 -1.903 -6.322 40.432 1.00 0.25 N ATOM 385 CA ARG A 25 -1.937 -4.974 41.066 1.00 0.23 C ATOM 386 C ARG A 25 -0.871 -4.909 42.157 1.00 0.25 C ATOM 387 O ARG A 25 -0.171 -3.926 42.298 1.00 0.25 O ATOM 388 CB ARG A 25 -3.328 -4.830 41.695 1.00 0.22 C ATOM 389 CG ARG A 25 -4.421 -4.915 40.628 1.00 0.21 C ATOM 390 CD ARG A 25 -5.763 -4.522 41.259 1.00 0.22 C ATOM 391 NE ARG A 25 -6.805 -5.087 40.363 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.021 -5.269 40.803 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.331 -4.944 42.030 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.929 -5.775 40.015 1.00 0.27 N ATOM 0 H ARG A 25 -2.777 -6.847 40.461 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.745 -4.181 40.344 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.478 -5.613 42.438 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.398 -3.876 42.218 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.187 -4.252 39.795 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.476 -5.926 40.224 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.854 -4.923 42.268 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.858 -3.439 41.337 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.570 -5.333 39.402 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.622 -4.547 42.647 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.282 -5.087 42.371 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.689 -6.028 39.057 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.879 -5.918 40.357 1.00 0.27 H new ATOM 408 N ARG A 26 -0.777 -5.935 42.955 1.00 0.29 N ATOM 409 CA ARG A 26 0.208 -5.917 44.075 1.00 0.33 C ATOM 410 C ARG A 26 1.634 -6.095 43.544 1.00 0.35 C ATOM 411 O ARG A 26 2.538 -5.366 43.904 1.00 0.35 O ATOM 412 CB ARG A 26 -0.181 -7.103 44.958 1.00 0.37 C ATOM 413 CG ARG A 26 -1.600 -6.900 45.491 1.00 1.07 C ATOM 414 CD ARG A 26 -1.629 -5.685 46.421 1.00 1.25 C ATOM 415 NE ARG A 26 -0.762 -6.061 47.572 1.00 1.85 N ATOM 416 CZ ARG A 26 -0.377 -5.152 48.428 1.00 2.32 C ATOM 417 NH1 ARG A 26 -0.749 -3.909 48.279 1.00 2.40 N ATOM 418 NH2 ARG A 26 0.384 -5.487 49.435 1.00 3.26 N ATOM 0 H ARG A 26 -1.337 -6.784 42.882 1.00 0.29 H new ATOM 0 HA ARG A 26 0.191 -4.972 44.618 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.125 -8.029 44.386 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.520 -7.198 45.787 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -2.293 -6.753 44.663 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -1.929 -7.790 46.028 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -1.253 -4.794 45.918 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -2.645 -5.462 46.748 1.00 1.25 H new ATOM 0 HE ARG A 26 -0.468 -7.030 47.692 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -1.342 -3.645 47.492 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -0.446 -3.202 48.949 1.00 2.40 H new ATOM 0 HH21 ARG A 26 0.677 -6.457 49.552 1.00 3.26 H new ATOM 0 HH22 ARG A 26 0.685 -4.779 50.104 1.00 3.26 H new ATOM 432 N THR A 27 1.849 -7.075 42.711 1.00 0.37 N ATOM 433 CA THR A 27 3.224 -7.328 42.187 1.00 0.41 C ATOM 434 C THR A 27 3.718 -6.150 41.342 1.00 0.39 C ATOM 435 O THR A 27 4.903 -5.897 41.254 1.00 0.42 O ATOM 436 CB THR A 27 3.092 -8.585 41.324 1.00 0.44 C ATOM 437 OG1 THR A 27 2.518 -9.630 42.097 1.00 0.61 O ATOM 438 CG2 THR A 27 4.475 -9.013 40.829 1.00 0.77 C ATOM 0 H THR A 27 1.131 -7.714 42.369 1.00 0.37 H new ATOM 0 HA THR A 27 3.946 -7.452 42.994 1.00 0.41 H new ATOM 0 HB THR A 27 2.452 -8.373 40.468 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.544 -9.621 41.988 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.380 -9.908 40.214 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.914 -8.210 40.236 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.118 -9.226 41.683 1.00 0.77 H new ATOM 446 N LEU A 28 2.832 -5.459 40.682 1.00 0.35 N ATOM 447 CA LEU A 28 3.272 -4.343 39.798 1.00 0.34 C ATOM 448 C LEU A 28 3.383 -3.036 40.588 1.00 0.32 C ATOM 449 O LEU A 28 3.833 -2.030 40.075 1.00 0.33 O ATOM 450 CB LEU A 28 2.186 -4.237 38.725 1.00 0.32 C ATOM 451 CG LEU A 28 2.642 -3.274 37.629 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.758 -3.926 36.809 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.460 -2.949 36.713 1.00 1.05 C ATOM 0 H LEU A 28 1.825 -5.617 40.716 1.00 0.35 H new ATOM 0 HA LEU A 28 4.256 -4.527 39.367 1.00 0.34 H new ATOM 0 HB2 LEU A 28 1.984 -5.220 38.299 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.255 -3.885 39.169 1.00 0.32 H new ATOM 0 HG LEU A 28 3.014 -2.356 38.083 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.084 -3.240 36.027 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.600 -4.159 37.461 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.386 -4.844 36.354 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.784 -2.262 35.931 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.089 -3.867 36.258 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.664 -2.485 37.296 1.00 1.05 H new ATOM 465 N GLY A 29 3.002 -3.040 41.836 1.00 0.32 N ATOM 466 CA GLY A 29 3.111 -1.797 42.650 1.00 0.32 C ATOM 467 C GLY A 29 2.180 -0.727 42.084 1.00 0.29 C ATOM 468 O GLY A 29 2.538 0.430 41.979 1.00 0.29 O ATOM 0 H GLY A 29 2.621 -3.849 42.326 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.851 -2.007 43.688 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.140 -1.437 42.645 1.00 0.32 H new ATOM 472 N ILE A 30 0.993 -1.103 41.704 1.00 0.27 N ATOM 473 CA ILE A 30 0.045 -0.105 41.128 1.00 0.24 C ATOM 474 C ILE A 30 -1.188 0.045 42.021 1.00 0.23 C ATOM 475 O ILE A 30 -1.703 -0.913 42.562 1.00 0.26 O ATOM 476 CB ILE A 30 -0.349 -0.659 39.762 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.907 -0.840 38.904 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.301 0.317 39.069 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.693 0.474 38.867 1.00 0.29 C ATOM 0 H ILE A 30 0.636 -2.056 41.766 1.00 0.27 H new ATOM 0 HA ILE A 30 0.499 0.883 41.049 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.845 -1.621 39.890 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.528 -1.637 39.313 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.630 -1.139 37.893 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.582 -0.080 38.093 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.195 0.448 39.679 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.805 1.279 38.941 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.587 0.346 38.257 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.070 1.259 38.438 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.982 0.754 39.880 1.00 0.29 H new ATOM 491 N ALA A 31 -1.634 1.253 42.206 1.00 0.22 N ATOM 492 CA ALA A 31 -2.802 1.502 43.099 1.00 0.23 C ATOM 493 C ALA A 31 -3.687 2.604 42.509 1.00 0.20 C ATOM 494 O ALA A 31 -3.301 3.301 41.592 1.00 0.18 O ATOM 495 CB ALA A 31 -2.196 1.967 44.421 1.00 0.23 C ATOM 0 H ALA A 31 -1.238 2.088 41.774 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.425 0.616 43.221 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -2.994 2.172 45.135 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.546 1.187 44.817 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.615 2.875 44.256 1.00 0.23 H new ATOM 501 N GLU A 32 -4.874 2.763 43.020 1.00 0.22 N ATOM 502 CA GLU A 32 -5.783 3.814 42.480 1.00 0.21 C ATOM 503 C GLU A 32 -5.086 5.179 42.474 1.00 0.19 C ATOM 504 O GLU A 32 -4.324 5.501 43.362 1.00 0.20 O ATOM 505 CB GLU A 32 -6.977 3.832 43.437 1.00 0.25 C ATOM 506 CG GLU A 32 -8.039 4.798 42.909 1.00 0.27 C ATOM 507 CD GLU A 32 -9.182 4.902 43.920 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.103 4.242 44.944 1.00 1.13 O ATOM 509 OE2 GLU A 32 -10.115 5.642 43.656 1.00 1.12 O ATOM 0 H GLU A 32 -5.256 2.211 43.788 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.080 3.608 41.452 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.396 2.830 43.532 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.654 4.138 44.432 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.599 5.781 42.739 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.419 4.448 41.949 1.00 0.27 H new ATOM 516 N LYS A 33 -5.392 5.998 41.500 1.00 0.19 N ATOM 517 CA LYS A 33 -4.818 7.381 41.437 1.00 0.20 C ATOM 518 C LYS A 33 -3.346 7.351 41.006 1.00 0.18 C ATOM 519 O LYS A 33 -2.757 8.377 40.730 1.00 0.21 O ATOM 520 CB LYS A 33 -4.948 7.949 42.854 1.00 0.23 C ATOM 521 CG LYS A 33 -4.802 9.471 42.806 1.00 0.29 C ATOM 522 CD LYS A 33 -5.013 10.050 44.207 1.00 0.87 C ATOM 523 CE LYS A 33 -3.851 9.637 45.111 1.00 1.35 C ATOM 524 NZ LYS A 33 -4.278 10.019 46.486 1.00 1.88 N ATOM 0 H LYS A 33 -6.024 5.766 40.734 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.344 7.992 40.703 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.915 7.678 43.279 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.184 7.519 43.502 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.813 9.740 42.435 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.529 9.895 42.113 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.080 11.137 44.156 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -5.955 9.692 44.622 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -3.657 8.567 45.041 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -2.930 10.147 44.828 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -3.531 9.767 47.164 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -4.448 11.044 46.524 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -5.153 9.513 46.731 1.00 1.88 H new ATOM 538 N ASP A 34 -2.774 6.188 40.843 1.00 0.16 N ATOM 539 CA ASP A 34 -1.381 6.120 40.313 1.00 0.16 C ATOM 540 C ASP A 34 -1.384 6.350 38.802 1.00 0.19 C ATOM 541 O ASP A 34 -2.423 6.371 38.173 1.00 0.20 O ATOM 542 CB ASP A 34 -0.891 4.713 40.645 1.00 0.17 C ATOM 543 CG ASP A 34 -0.608 4.620 42.144 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.664 5.643 42.805 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.338 3.525 42.603 1.00 1.08 O ATOM 0 H ASP A 34 -3.207 5.288 41.052 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.736 6.882 40.750 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.642 3.976 40.358 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.012 4.486 40.078 1.00 0.17 H new ATOM 550 N ALA A 35 -0.239 6.590 38.223 1.00 0.22 N ATOM 551 CA ALA A 35 -0.195 6.898 36.764 1.00 0.28 C ATOM 552 C ALA A 35 0.308 5.690 35.969 1.00 0.20 C ATOM 553 O ALA A 35 1.373 5.164 36.226 1.00 0.16 O ATOM 554 CB ALA A 35 0.782 8.068 36.639 1.00 0.36 C ATOM 0 H ALA A 35 0.665 6.586 38.695 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.181 7.140 36.368 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.871 8.357 35.592 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.413 8.914 37.219 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.759 7.768 37.017 1.00 0.36 H new ATOM 560 N LEU A 36 -0.401 5.319 34.939 1.00 0.24 N ATOM 561 CA LEU A 36 0.083 4.230 34.040 1.00 0.21 C ATOM 562 C LEU A 36 0.562 4.835 32.723 1.00 0.20 C ATOM 563 O LEU A 36 -0.090 5.692 32.163 1.00 0.23 O ATOM 564 CB LEU A 36 -1.140 3.349 33.786 1.00 0.34 C ATOM 565 CG LEU A 36 -1.829 3.013 35.106 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.259 2.556 34.819 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.067 1.889 35.811 1.00 0.56 C ATOM 0 H LEU A 36 -1.300 5.725 34.679 1.00 0.24 H new ATOM 0 HA LEU A 36 0.910 3.669 34.475 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.837 3.863 33.124 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.838 2.432 33.281 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.844 3.894 35.747 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.759 2.314 35.757 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.802 3.355 34.314 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.237 1.673 34.181 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.560 1.650 36.753 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.053 1.004 35.175 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.044 2.211 36.008 1.00 0.56 H new ATOM 579 N GLU A 37 1.612 4.314 32.150 1.00 0.19 N ATOM 580 CA GLU A 37 2.010 4.790 30.796 1.00 0.21 C ATOM 581 C GLU A 37 1.663 3.724 29.756 1.00 0.19 C ATOM 582 O GLU A 37 1.716 2.540 30.026 1.00 0.20 O ATOM 583 CB GLU A 37 3.519 5.019 30.873 1.00 0.25 C ATOM 584 CG GLU A 37 4.005 5.670 29.576 1.00 0.26 C ATOM 585 CD GLU A 37 5.522 5.858 29.637 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.111 5.441 30.620 1.00 1.17 O ATOM 587 OE2 GLU A 37 6.067 6.413 28.698 1.00 1.08 O ATOM 0 H GLU A 37 2.205 3.589 32.554 1.00 0.19 H new ATOM 0 HA GLU A 37 1.491 5.702 30.502 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.757 5.657 31.724 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.033 4.071 31.031 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.739 5.047 28.722 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.514 6.633 29.433 1.00 0.26 H new ATOM 594 N ILE A 38 1.150 4.142 28.634 1.00 0.21 N ATOM 595 CA ILE A 38 0.611 3.166 27.648 1.00 0.20 C ATOM 596 C ILE A 38 1.529 3.072 26.430 1.00 0.20 C ATOM 597 O ILE A 38 1.958 4.070 25.878 1.00 0.24 O ATOM 598 CB ILE A 38 -0.753 3.726 27.245 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.620 3.904 28.493 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.441 2.754 26.283 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.934 4.586 28.110 1.00 0.84 C ATOM 0 H ILE A 38 1.080 5.121 28.356 1.00 0.21 H new ATOM 0 HA ILE A 38 0.537 2.161 28.064 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.618 4.690 26.754 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.821 2.935 28.950 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.090 4.502 29.234 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.414 3.154 25.996 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.825 2.625 25.393 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.575 1.790 26.774 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.551 4.712 29.000 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.723 5.562 27.673 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.465 3.970 27.384 1.00 0.84 H new ATOM 613 N TYR A 39 1.843 1.870 26.036 1.00 0.19 N ATOM 614 CA TYR A 39 2.755 1.646 24.880 1.00 0.21 C ATOM 615 C TYR A 39 2.018 0.892 23.770 1.00 0.20 C ATOM 616 O TYR A 39 1.099 0.144 24.029 1.00 0.20 O ATOM 617 CB TYR A 39 3.867 0.769 25.445 1.00 0.24 C ATOM 618 CG TYR A 39 4.881 1.604 26.177 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.499 2.356 27.292 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.207 1.606 25.748 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.450 3.116 27.980 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.160 2.364 26.433 1.00 0.36 C ATOM 623 CZ TYR A 39 6.784 3.121 27.551 1.00 0.39 C ATOM 624 OH TYR A 39 7.725 3.870 28.228 1.00 0.45 O ATOM 0 H TYR A 39 1.499 1.016 26.476 1.00 0.19 H new ATOM 0 HA TYR A 39 3.125 2.578 24.452 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.443 0.026 26.121 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.353 0.223 24.636 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.471 2.350 27.622 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.498 1.022 24.887 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.157 3.698 28.841 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.188 2.367 26.101 1.00 0.36 H new ATOM 0 HH TYR A 39 8.600 3.761 27.800 1.00 0.45 H new ATOM 634 N VAL A 40 2.501 0.966 22.562 1.00 0.21 N ATOM 635 CA VAL A 40 1.913 0.123 21.480 1.00 0.22 C ATOM 636 C VAL A 40 3.017 -0.559 20.667 1.00 0.22 C ATOM 637 O VAL A 40 3.908 0.086 20.150 1.00 0.23 O ATOM 638 CB VAL A 40 1.122 1.091 20.603 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.602 0.349 19.370 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.062 1.641 21.401 1.00 0.27 C ATOM 0 H VAL A 40 3.272 1.569 22.276 1.00 0.21 H new ATOM 0 HA VAL A 40 1.284 -0.671 21.881 1.00 0.22 H new ATOM 0 HB VAL A 40 1.766 1.912 20.289 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.037 1.038 18.742 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.444 -0.051 18.804 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.045 -0.470 19.684 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.630 2.333 20.779 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.706 0.818 21.710 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.306 2.165 22.283 1.00 0.27 H new ATOM 650 N ASP A 41 2.958 -1.857 20.541 1.00 0.21 N ATOM 651 CA ASP A 41 3.994 -2.577 19.747 1.00 0.22 C ATOM 652 C ASP A 41 3.387 -3.806 19.062 1.00 0.25 C ATOM 653 O ASP A 41 2.610 -4.529 19.645 1.00 0.27 O ATOM 654 CB ASP A 41 5.051 -2.998 20.769 1.00 0.20 C ATOM 655 CG ASP A 41 4.432 -3.965 21.779 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.216 -4.034 21.836 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.186 -4.616 22.483 1.00 1.77 O ATOM 0 H ASP A 41 2.238 -2.450 20.953 1.00 0.21 H new ATOM 0 HA ASP A 41 4.413 -1.954 18.957 1.00 0.22 H new ATOM 0 HB2 ASP A 41 5.891 -3.473 20.263 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.443 -2.121 21.284 1.00 0.20 H new ATOM 662 N ASP A 42 3.816 -4.105 17.866 1.00 0.27 N ATOM 663 CA ASP A 42 3.352 -5.353 17.190 1.00 0.33 C ATOM 664 C ASP A 42 1.842 -5.553 17.373 1.00 0.33 C ATOM 665 O ASP A 42 1.378 -6.655 17.587 1.00 0.37 O ATOM 666 CB ASP A 42 4.130 -6.473 17.876 1.00 0.38 C ATOM 667 CG ASP A 42 3.695 -7.824 17.303 1.00 0.45 C ATOM 668 OD1 ASP A 42 2.961 -7.823 16.329 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.104 -8.836 17.848 1.00 1.14 O ATOM 0 H ASP A 42 4.469 -3.538 17.326 1.00 0.27 H new ATOM 0 HA ASP A 42 3.525 -5.323 16.114 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.200 -6.331 17.727 1.00 0.38 H new ATOM 0 HB3 ASP A 42 3.952 -6.448 18.951 1.00 0.38 H new ATOM 674 N GLU A 43 1.067 -4.513 17.215 1.00 0.30 N ATOM 675 CA GLU A 43 -0.419 -4.663 17.293 1.00 0.31 C ATOM 676 C GLU A 43 -0.837 -5.183 18.672 1.00 0.30 C ATOM 677 O GLU A 43 -1.985 -5.505 18.903 1.00 0.31 O ATOM 678 CB GLU A 43 -0.775 -5.676 16.204 1.00 0.35 C ATOM 679 CG GLU A 43 -2.297 -5.756 16.054 1.00 1.17 C ATOM 680 CD GLU A 43 -2.654 -6.835 15.032 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.741 -7.466 14.524 1.00 1.93 O ATOM 682 OE2 GLU A 43 -3.832 -7.012 14.773 1.00 1.68 O ATOM 0 H GLU A 43 1.397 -3.565 17.035 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.933 -3.713 17.150 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.321 -5.382 15.258 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.373 -6.656 16.460 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.756 -5.985 17.016 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.692 -4.792 15.734 1.00 1.17 H new ATOM 689 N LYS A 44 0.066 -5.188 19.609 1.00 0.29 N ATOM 690 CA LYS A 44 -0.296 -5.594 20.997 1.00 0.30 C ATOM 691 C LYS A 44 -0.221 -4.382 21.927 1.00 0.27 C ATOM 692 O LYS A 44 0.491 -3.432 21.664 1.00 0.26 O ATOM 693 CB LYS A 44 0.747 -6.641 21.395 1.00 0.34 C ATOM 694 CG LYS A 44 0.647 -7.846 20.458 1.00 1.29 C ATOM 695 CD LYS A 44 1.513 -8.985 20.997 1.00 1.23 C ATOM 696 CE LYS A 44 2.986 -8.569 20.962 1.00 1.90 C ATOM 697 NZ LYS A 44 3.746 -9.827 21.201 1.00 2.01 N ATOM 0 H LYS A 44 1.043 -4.928 19.475 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.309 -5.990 21.063 1.00 0.30 H new ATOM 0 HB2 LYS A 44 1.747 -6.210 21.345 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.587 -6.955 22.426 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.390 -8.171 20.376 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.974 -7.569 19.456 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.217 -9.229 22.017 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.364 -9.884 20.398 1.00 1.23 H new ATOM 0 HE2 LYS A 44 3.248 -8.125 20.002 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.204 -7.824 21.727 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 4.766 -9.624 21.192 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.480 -10.223 22.125 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.523 -10.515 20.453 1.00 2.01 H new ATOM 711 N ILE A 45 -0.953 -4.399 23.005 1.00 0.28 N ATOM 712 CA ILE A 45 -0.925 -3.239 23.937 1.00 0.27 C ATOM 713 C ILE A 45 0.078 -3.498 25.064 1.00 0.27 C ATOM 714 O ILE A 45 0.048 -4.528 25.708 1.00 0.29 O ATOM 715 CB ILE A 45 -2.345 -3.151 24.492 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.334 -3.029 23.332 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.466 -1.924 25.397 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.757 -3.230 23.853 1.00 1.25 C ATOM 0 H ILE A 45 -1.568 -5.164 23.281 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.621 -2.315 23.446 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.567 -4.049 25.069 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.242 -2.049 22.863 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -3.107 -3.771 22.567 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.480 -1.862 25.793 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.759 -2.009 26.222 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.245 -1.025 24.822 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.463 -3.143 23.027 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.844 -4.220 24.302 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.981 -2.471 24.602 1.00 1.25 H new ATOM 730 N ILE A 46 0.958 -2.568 25.306 1.00 0.26 N ATOM 731 CA ILE A 46 1.966 -2.746 26.392 1.00 0.29 C ATOM 732 C ILE A 46 1.736 -1.706 27.493 1.00 0.29 C ATOM 733 O ILE A 46 1.776 -0.521 27.253 1.00 0.31 O ATOM 734 CB ILE A 46 3.319 -2.520 25.705 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.477 -3.510 24.548 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.457 -2.715 26.712 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.105 -4.916 25.016 1.00 0.50 C ATOM 0 H ILE A 46 1.024 -1.687 24.797 1.00 0.26 H new ATOM 0 HA ILE A 46 1.908 -3.726 26.865 1.00 0.29 H new ATOM 0 HB ILE A 46 3.359 -1.501 25.319 1.00 0.32 H new ATOM 0 HG12 ILE A 46 2.840 -3.214 23.714 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.504 -3.498 24.184 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.414 -2.553 26.216 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.346 -2.002 27.529 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.422 -3.730 27.109 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.219 -5.617 24.189 1.00 0.50 H new ATOM 0 HD12 ILE A 46 3.760 -5.212 25.835 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.070 -4.924 25.358 1.00 0.50 H new ATOM 749 N LEU A 47 1.487 -2.139 28.698 1.00 0.28 N ATOM 750 CA LEU A 47 1.252 -1.161 29.802 1.00 0.29 C ATOM 751 C LEU A 47 2.327 -1.311 30.880 1.00 0.31 C ATOM 752 O LEU A 47 2.675 -2.405 31.273 1.00 0.39 O ATOM 753 CB LEU A 47 -0.119 -1.515 30.369 1.00 0.34 C ATOM 754 CG LEU A 47 -1.166 -1.462 29.255 1.00 0.90 C ATOM 755 CD1 LEU A 47 -1.097 -2.744 28.423 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.560 -1.332 29.872 1.00 1.24 C ATOM 0 H LEU A 47 1.436 -3.122 28.967 1.00 0.28 H new ATOM 0 HA LEU A 47 1.293 -0.130 29.449 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.094 -2.511 30.811 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.385 -0.819 31.165 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.968 -0.603 28.614 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.844 -2.704 27.630 1.00 1.66 H new ATOM 0 HD12 LEU A 47 -0.105 -2.839 27.982 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.293 -3.604 29.063 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.307 -1.294 29.079 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.755 -2.191 30.514 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.612 -0.418 30.464 1.00 1.24 H new ATOM 768 N LYS A 48 2.862 -0.220 31.349 1.00 0.29 N ATOM 769 CA LYS A 48 3.928 -0.300 32.391 1.00 0.35 C ATOM 770 C LYS A 48 3.775 0.839 33.399 1.00 0.28 C ATOM 771 O LYS A 48 3.168 1.852 33.114 1.00 0.25 O ATOM 772 CB LYS A 48 5.243 -0.163 31.622 1.00 0.47 C ATOM 773 CG LYS A 48 5.272 1.179 30.886 1.00 0.65 C ATOM 774 CD LYS A 48 6.588 1.305 30.115 1.00 0.85 C ATOM 775 CE LYS A 48 6.561 0.372 28.902 1.00 1.54 C ATOM 776 NZ LYS A 48 7.981 -0.026 28.693 1.00 1.74 N ATOM 0 H LYS A 48 2.609 0.724 31.058 1.00 0.29 H new ATOM 0 HA LYS A 48 3.880 -1.230 32.958 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.086 -0.230 32.309 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.346 -0.982 30.910 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.427 1.249 30.200 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.174 1.999 31.597 1.00 0.65 H new ATOM 0 HD2 LYS A 48 6.735 2.335 29.791 1.00 0.85 H new ATOM 0 HD3 LYS A 48 7.427 1.052 30.763 1.00 0.85 H new ATOM 0 HE2 LYS A 48 5.930 -0.497 29.086 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.159 0.877 28.024 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.045 -0.667 27.877 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 8.556 0.822 28.513 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.334 -0.510 29.543 1.00 1.74 H new ATOM 790 N LYS A 49 4.384 0.720 34.547 1.00 0.28 N ATOM 791 CA LYS A 49 4.337 1.840 35.528 1.00 0.25 C ATOM 792 C LYS A 49 4.856 3.121 34.876 1.00 0.22 C ATOM 793 O LYS A 49 5.675 3.085 33.980 1.00 0.24 O ATOM 794 CB LYS A 49 5.253 1.413 36.672 1.00 0.29 C ATOM 795 CG LYS A 49 5.246 2.487 37.761 1.00 0.30 C ATOM 796 CD LYS A 49 3.935 2.410 38.545 1.00 0.54 C ATOM 797 CE LYS A 49 3.948 3.451 39.667 1.00 1.08 C ATOM 798 NZ LYS A 49 5.224 3.214 40.397 1.00 1.65 N ATOM 0 H LYS A 49 4.910 -0.101 34.847 1.00 0.28 H new ATOM 0 HA LYS A 49 3.325 2.042 35.878 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.918 0.461 37.084 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.267 1.262 36.302 1.00 0.29 H new ATOM 0 HG2 LYS A 49 6.093 2.345 38.433 1.00 0.30 H new ATOM 0 HG3 LYS A 49 5.357 3.475 37.313 1.00 0.30 H new ATOM 0 HD2 LYS A 49 3.090 2.588 37.880 1.00 0.54 H new ATOM 0 HD3 LYS A 49 3.807 1.411 38.963 1.00 0.54 H new ATOM 0 HE2 LYS A 49 3.905 4.464 39.266 1.00 1.08 H new ATOM 0 HE3 LYS A 49 3.088 3.332 40.326 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 5.122 3.523 41.385 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 5.454 2.200 40.374 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 5.989 3.753 39.943 1.00 1.65 H new ATOM 812 N TYR A 50 4.330 4.244 35.267 1.00 0.20 N ATOM 813 CA TYR A 50 4.735 5.518 34.606 1.00 0.21 C ATOM 814 C TYR A 50 5.760 6.265 35.463 1.00 0.22 C ATOM 815 O TYR A 50 5.466 6.707 36.557 1.00 0.22 O ATOM 816 CB TYR A 50 3.443 6.326 34.486 1.00 0.20 C ATOM 817 CG TYR A 50 3.737 7.657 33.835 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.792 7.774 32.923 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.954 8.773 34.145 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.064 9.009 32.323 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.225 10.007 33.547 1.00 0.28 C ATOM 822 CZ TYR A 50 4.280 10.126 32.634 1.00 0.30 C ATOM 823 OH TYR A 50 4.548 11.344 32.042 1.00 0.35 O ATOM 0 H TYR A 50 3.640 4.338 36.012 1.00 0.20 H new ATOM 0 HA TYR A 50 5.204 5.348 33.637 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.711 5.775 33.896 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.006 6.481 35.472 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.396 6.912 32.682 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.139 8.682 34.847 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.879 9.100 31.620 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.621 10.869 33.789 1.00 0.28 H new ATOM 0 HH TYR A 50 3.910 12.013 32.367 1.00 0.35 H new ATOM 995 N VAL B 9 -0.228 8.463 28.746 1.00 0.32 N ATOM 996 CA VAL B 9 -0.473 7.929 30.117 1.00 0.29 C ATOM 997 C VAL B 9 -1.906 8.222 30.570 1.00 0.32 C ATOM 998 O VAL B 9 -2.456 9.270 30.299 1.00 0.37 O ATOM 999 CB VAL B 9 0.533 8.652 31.014 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.316 8.229 32.468 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.955 8.276 30.587 1.00 0.30 C ATOM 0 HA VAL B 9 -0.352 6.846 30.156 1.00 0.29 H new ATOM 0 HB VAL B 9 0.393 9.729 30.922 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.033 8.744 33.108 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.697 8.489 32.775 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.457 7.152 32.559 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.674 8.790 31.225 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.091 7.199 30.682 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.114 8.571 29.550 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.492 7.315 31.302 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.868 7.541 31.832 1.00 0.36 C ATOM 1013 C ARG B 10 -3.894 7.267 33.339 1.00 0.31 C ATOM 1014 O ARG B 10 -3.009 6.632 33.876 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.752 6.540 31.088 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.216 6.768 31.471 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.090 5.704 30.804 1.00 0.87 C ATOM 1018 NE ARG B 10 -6.891 5.904 29.341 1.00 1.14 N ATOM 1019 CZ ARG B 10 -7.471 6.902 28.730 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.229 7.731 29.398 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -7.293 7.073 27.449 1.00 1.92 N ATOM 0 H ARG B 10 -2.074 6.420 31.558 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.208 8.566 31.685 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.624 6.656 30.012 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.455 5.521 31.336 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.331 6.722 32.554 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.534 7.763 31.159 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.793 4.701 31.109 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -8.138 5.824 31.080 1.00 0.87 H new ATOM 0 HE ARG B 10 -6.300 5.260 28.815 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -8.369 7.600 30.400 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.680 8.509 28.918 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -6.701 6.428 26.926 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -7.745 7.852 26.971 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.875 7.772 34.033 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.921 7.566 35.511 1.00 0.30 C ATOM 1037 C LYS B 11 -5.589 6.227 35.844 1.00 0.26 C ATOM 1038 O LYS B 11 -6.472 5.772 35.144 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.754 8.730 36.047 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.027 10.048 35.772 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.801 11.202 36.411 1.00 1.03 C ATOM 1042 CE LYS B 11 -5.142 12.531 36.032 1.00 1.81 C ATOM 1043 NZ LYS B 11 -6.176 13.567 36.314 1.00 2.21 N ATOM 0 H LYS B 11 -5.645 8.317 33.645 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.925 7.539 35.953 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.735 8.738 35.572 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.919 8.610 37.118 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -4.015 10.008 36.175 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.936 10.208 34.698 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.838 11.189 36.074 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.816 11.088 37.495 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -4.239 12.705 36.617 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -4.849 12.541 34.982 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -5.799 14.507 36.079 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -7.021 13.379 35.738 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -6.430 13.538 37.322 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.170 5.595 36.908 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.779 4.286 37.288 1.00 0.22 C ATOM 1059 C VAL B 12 -7.072 4.521 38.069 1.00 0.20 C ATOM 1060 O VAL B 12 -7.100 5.280 39.016 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.745 3.606 38.186 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.077 2.119 38.315 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.347 3.768 37.588 1.00 0.29 C ATOM 0 H VAL B 12 -4.433 5.928 37.530 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.025 3.680 36.416 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.768 4.071 39.172 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.339 1.636 38.955 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.068 2.004 38.753 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.060 1.656 37.329 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.616 3.281 38.234 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.319 3.311 36.599 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.108 4.828 37.504 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.140 3.877 37.689 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.417 4.077 38.428 1.00 0.21 C ATOM 1075 C ASP B 13 -9.469 3.153 39.653 1.00 0.22 C ATOM 1076 O ASP B 13 -8.480 2.562 40.035 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.526 3.747 37.415 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.889 2.262 37.480 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.213 1.471 36.846 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.841 1.937 38.168 1.00 0.55 O ATOM 0 H ASP B 13 -8.184 3.226 36.905 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.527 5.092 38.809 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.408 4.352 37.623 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.195 4.002 36.408 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.572 3.140 40.349 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.629 2.394 41.642 1.00 0.26 C ATOM 1087 C GLU B 14 -10.262 0.916 41.455 1.00 0.26 C ATOM 1088 O GLU B 14 -9.673 0.307 42.327 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.080 2.526 42.106 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.395 3.996 42.391 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.826 4.118 42.916 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.538 3.130 42.875 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.185 5.201 43.351 1.00 2.19 O ATOM 0 H GLU B 14 -11.436 3.612 40.081 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.918 2.793 42.366 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.754 2.141 41.341 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.242 1.928 43.003 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.692 4.394 43.123 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.278 4.587 41.483 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.696 0.303 40.390 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.468 -1.166 40.241 1.00 0.25 C ATOM 1102 C LEU B 15 -9.071 -1.465 39.682 1.00 0.23 C ATOM 1103 O LEU B 15 -8.677 -2.608 39.569 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.543 -1.646 39.267 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.313 -3.126 38.953 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.088 -3.900 40.255 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.542 -3.689 38.234 1.00 1.39 C ATOM 0 H LEU B 15 -11.195 0.749 39.620 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.526 -1.672 41.204 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.533 -1.503 39.700 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.509 -1.058 38.350 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.435 -3.228 38.315 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.925 -4.954 40.028 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.215 -3.500 40.770 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.965 -3.798 40.895 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.381 -4.743 38.009 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.418 -3.584 38.874 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.704 -3.141 37.306 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.333 -0.464 39.293 1.00 0.21 N ATOM 1120 CA GLY B 16 -6.989 -0.732 38.700 1.00 0.20 C ATOM 1121 C GLY B 16 -7.149 -1.144 37.234 1.00 0.21 C ATOM 1122 O GLY B 16 -6.611 -2.142 36.791 1.00 0.21 O ATOM 0 H GLY B 16 -8.596 0.519 39.358 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.364 0.158 38.772 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.485 -1.521 39.257 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.929 -0.413 36.487 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.170 -0.792 35.068 1.00 0.27 C ATOM 1128 C ARG B 17 -7.584 0.268 34.133 1.00 0.26 C ATOM 1129 O ARG B 17 -7.444 1.420 34.494 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.692 -0.854 34.929 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.231 -2.018 35.765 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.746 -2.125 35.576 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.303 -0.937 36.277 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.574 -0.898 36.589 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.362 -1.882 36.249 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.057 0.124 37.240 1.00 1.14 N ATOM 0 H ARG B 17 -8.410 0.431 36.799 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.700 -1.740 34.805 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.137 0.084 35.261 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.968 -0.985 33.883 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.750 -2.949 35.464 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.995 -1.863 36.818 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.014 -2.122 34.519 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.133 -3.052 36.000 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.695 -0.153 36.514 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.988 -2.683 35.740 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.352 -1.850 36.493 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.444 0.895 37.507 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.047 0.153 37.482 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.251 -0.110 32.931 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.686 0.876 31.966 1.00 0.26 C ATOM 1152 C VAL B 18 -7.531 0.894 30.692 1.00 0.24 C ATOM 1153 O VAL B 18 -8.219 -0.057 30.384 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.273 0.376 31.667 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.499 0.218 32.977 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.353 -0.977 30.957 1.00 0.26 C ATOM 0 H VAL B 18 -7.346 -1.061 32.574 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.679 1.891 32.363 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.761 1.095 31.027 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.491 -0.139 32.764 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.443 1.181 33.485 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.010 -0.501 33.617 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.346 -1.336 30.743 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.865 -1.695 31.598 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.905 -0.866 30.024 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.560 2.000 30.002 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.455 2.107 28.815 1.00 0.22 C ATOM 1168 C VAL B 19 -7.636 2.214 27.528 1.00 0.22 C ATOM 1169 O VAL B 19 -6.727 3.015 27.423 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.255 3.388 29.043 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.367 3.490 27.997 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.871 3.361 30.443 1.00 0.24 C ATOM 0 H VAL B 19 -7.006 2.831 30.207 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.095 1.232 28.706 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.594 4.250 28.953 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.937 4.404 28.160 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.928 3.510 27.000 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.029 2.629 28.085 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.442 4.275 30.607 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.532 2.499 30.533 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.078 3.290 31.188 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.016 1.484 26.516 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.334 1.624 25.199 1.00 0.24 C ATOM 1184 C ILE B 20 -7.904 2.831 24.447 1.00 0.24 C ATOM 1185 O ILE B 20 -9.101 2.986 24.357 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.654 0.320 24.462 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.700 -0.778 24.936 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.491 0.517 22.953 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -7.256 -2.145 24.534 1.00 1.38 C ATOM 0 H ILE B 20 -8.769 0.797 26.544 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.260 1.787 25.290 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.683 0.032 24.676 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -5.713 -0.632 24.497 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.578 -0.727 26.018 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.721 -0.416 22.437 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.172 1.297 22.612 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.464 0.810 22.733 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.577 -2.928 24.871 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -8.234 -2.290 24.994 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.355 -2.193 23.450 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.027 3.603 23.868 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.463 4.753 23.037 1.00 0.30 C ATOM 1203 C PRO B 21 -8.320 4.260 21.867 1.00 0.28 C ATOM 1204 O PRO B 21 -8.088 3.199 21.323 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.156 5.372 22.533 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.090 4.356 22.803 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.571 3.482 23.929 1.00 0.32 C ATOM 0 HA PRO B 21 -8.071 5.470 23.589 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.217 5.601 21.469 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.943 6.308 23.049 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.895 3.760 21.912 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.154 4.845 23.071 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.250 2.449 23.798 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.182 3.818 24.890 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.325 5.002 21.492 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.207 4.545 20.379 1.00 0.30 C ATOM 1217 C ILE B 22 -9.378 4.250 19.129 1.00 0.33 C ATOM 1218 O ILE B 22 -9.682 3.353 18.369 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.160 5.713 20.123 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.297 5.252 19.206 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.400 6.858 19.453 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.133 4.190 19.920 1.00 1.11 C ATOM 0 H ILE B 22 -9.574 5.901 21.905 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.740 3.628 20.629 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.572 6.058 21.071 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.925 6.100 18.933 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.889 4.846 18.280 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.081 7.690 19.271 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.590 7.188 20.104 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -9.986 6.514 18.505 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.942 3.863 19.266 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.502 3.338 20.170 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.553 4.611 20.834 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.315 4.974 18.923 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.457 4.701 17.735 1.00 0.40 C ATOM 1236 C GLU B 23 -6.964 3.252 17.774 1.00 0.37 C ATOM 1237 O GLU B 23 -6.852 2.594 16.759 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.283 5.671 17.866 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.396 5.569 16.624 1.00 1.22 C ATOM 1240 CD GLU B 23 -6.142 6.137 15.415 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -7.024 6.954 15.619 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -5.817 5.744 14.307 1.00 2.37 O ATOM 0 H GLU B 23 -8.003 5.739 19.521 1.00 0.36 H new ATOM 0 HA GLU B 23 -7.990 4.834 16.794 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.651 6.691 17.980 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.704 5.439 18.760 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -4.467 6.117 16.782 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -5.125 4.529 16.442 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.686 2.751 18.946 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.219 1.341 19.068 1.00 0.33 C ATOM 1251 C LEU B 24 -7.409 0.379 19.091 1.00 0.29 C ATOM 1252 O LEU B 24 -7.323 -0.731 18.606 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.449 1.288 20.385 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.217 2.189 20.290 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.376 2.042 21.560 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.381 1.781 19.076 1.00 1.75 C ATOM 0 H LEU B 24 -6.762 3.259 19.827 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.597 1.041 18.224 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.088 1.613 21.206 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.148 0.263 20.602 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.534 3.226 20.183 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.498 2.684 21.491 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -3.971 2.332 22.426 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.059 1.005 21.668 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.502 2.422 19.007 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.065 0.743 19.184 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.979 1.886 18.171 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.545 0.815 19.566 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.742 -0.071 19.505 1.00 0.23 C ATOM 1270 C ARG B 25 -9.996 -0.466 18.052 1.00 0.26 C ATOM 1271 O ARG B 25 -10.302 -1.601 17.747 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.918 0.764 20.023 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.685 1.187 21.475 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.981 1.794 22.027 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.568 2.614 23.199 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.351 3.556 23.650 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.508 3.776 23.084 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.979 4.279 24.671 1.00 0.27 N ATOM 0 H ARG B 25 -8.695 1.732 19.987 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.607 -0.978 20.095 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.046 1.648 19.398 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.840 0.187 19.951 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.385 0.328 22.075 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.874 1.913 21.531 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.479 2.407 21.275 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.685 1.015 22.321 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.670 2.439 23.651 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.802 3.211 22.287 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.117 4.513 23.439 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.077 4.108 25.116 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.590 5.015 25.024 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.913 0.480 17.155 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.196 0.179 15.724 1.00 0.33 C ATOM 1294 C ARG B 26 -9.048 -0.623 15.103 1.00 0.35 C ATOM 1295 O ARG B 26 -9.260 -1.618 14.440 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.315 1.548 15.052 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.476 2.325 15.677 1.00 1.07 C ATOM 1298 CD ARG B 26 -12.795 1.613 15.367 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.938 1.695 13.887 1.00 1.86 N ATOM 1300 CZ ARG B 26 -13.835 0.970 13.273 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -14.610 0.169 13.954 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -13.956 1.046 11.975 1.00 3.27 N ATOM 0 H ARG B 26 -9.661 1.448 17.353 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.098 -0.421 15.603 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.385 2.105 15.170 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.480 1.426 13.981 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -11.337 2.402 16.755 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.499 3.342 15.285 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -12.773 0.577 15.705 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -13.632 2.095 15.872 1.00 1.25 H new ATOM 0 HE ARG B 26 -12.334 2.319 13.351 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -14.516 0.108 14.968 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -15.309 -0.396 13.472 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -13.351 1.671 11.442 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -14.656 0.481 11.494 1.00 3.27 H new ATOM 1316 N THR B 27 -7.835 -0.175 15.284 1.00 0.37 N ATOM 1317 CA THR B 27 -6.674 -0.883 14.669 1.00 0.41 C ATOM 1318 C THR B 27 -6.531 -2.298 15.240 1.00 0.39 C ATOM 1319 O THR B 27 -6.037 -3.192 14.583 1.00 0.42 O ATOM 1320 CB THR B 27 -5.456 -0.032 15.029 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.670 1.304 14.592 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.213 -0.601 14.343 1.00 0.77 C ATOM 0 H THR B 27 -7.597 0.652 15.832 1.00 0.37 H new ATOM 0 HA THR B 27 -6.792 -0.997 13.591 1.00 0.41 H new ATOM 0 HB THR B 27 -5.309 -0.044 16.109 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.075 1.824 15.317 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.345 0.006 14.600 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.050 -1.626 14.677 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.356 -0.590 13.263 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.896 -2.495 16.476 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.712 -3.837 17.099 1.00 0.35 C ATOM 1332 C LEU B 28 -7.921 -4.738 16.815 1.00 0.33 C ATOM 1333 O LEU B 28 -7.921 -5.908 17.140 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.582 -3.564 18.597 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.160 -4.848 19.316 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.704 -5.168 18.975 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.299 -4.653 20.827 1.00 1.05 C ATOM 0 H LEU B 28 -7.313 -1.787 17.081 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.840 -4.356 16.701 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.847 -2.778 18.772 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.531 -3.207 18.996 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.797 -5.672 18.995 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.403 -6.082 19.487 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.604 -5.305 17.898 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.066 -4.345 19.297 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.999 -5.566 21.341 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.661 -3.830 21.148 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.336 -4.424 21.070 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.943 -4.211 16.198 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.132 -5.054 15.881 1.00 0.32 C ATOM 1351 C GLY B 29 -10.803 -5.502 17.180 1.00 0.29 C ATOM 1352 O GLY B 29 -11.206 -6.640 17.321 1.00 0.29 O ATOM 0 H GLY B 29 -9.007 -3.237 15.900 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.838 -4.491 15.271 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.829 -5.923 15.297 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.912 -4.623 18.138 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.544 -5.009 19.432 1.00 0.24 C ATOM 1358 C ILE B 30 -12.827 -4.209 19.667 1.00 0.23 C ATOM 1359 O ILE B 30 -12.904 -3.032 19.378 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.504 -4.682 20.503 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.219 -5.462 20.221 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.047 -5.076 21.877 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.547 -6.950 20.069 1.00 0.30 C ATOM 0 H ILE B 30 -10.592 -3.656 18.081 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.825 -6.062 19.446 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.291 -3.613 20.488 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.746 -5.088 19.313 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.507 -5.317 21.034 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.306 -4.843 22.642 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.963 -4.521 22.079 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.260 -6.145 21.891 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.631 -7.506 19.868 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.001 -7.318 20.989 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.243 -7.086 19.241 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.845 -4.861 20.151 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.149 -4.175 20.370 1.00 0.23 C ATOM 1377 C ALA B 31 -15.796 -4.681 21.662 1.00 0.20 C ATOM 1378 O ALA B 31 -15.382 -5.671 22.230 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.004 -4.560 19.162 1.00 0.23 C ATOM 0 H ALA B 31 -13.830 -5.848 20.407 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.039 -3.095 20.466 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -16.985 -4.093 19.247 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.518 -4.218 18.248 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.119 -5.643 19.128 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.806 -4.006 22.134 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.472 -4.446 23.394 1.00 0.21 C ATOM 1387 C GLU B 32 -17.891 -5.918 23.295 1.00 0.19 C ATOM 1388 O GLU B 32 -18.299 -6.387 22.254 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.703 -3.549 23.523 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.404 -3.831 24.853 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.698 -3.018 24.932 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.978 -2.296 23.990 1.00 1.13 O ATOM 1393 OE2 GLU B 32 -21.385 -3.132 25.932 1.00 1.12 O ATOM 0 H GLU B 32 -17.200 -3.169 21.703 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.811 -4.364 24.257 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.409 -2.501 23.470 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.387 -3.731 22.694 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.625 -4.895 24.941 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.748 -3.572 25.684 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.845 -6.624 24.396 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.298 -8.052 24.423 1.00 0.20 C ATOM 1402 C LYS B 33 -17.275 -8.971 23.742 1.00 0.18 C ATOM 1403 O LYS B 33 -17.378 -10.179 23.815 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.630 -8.080 23.670 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.378 -9.370 24.010 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.745 -9.365 23.325 1.00 0.86 C ATOM 1407 CE LYS B 33 -21.559 -9.482 21.811 1.00 1.35 C ATOM 1408 NZ LYS B 33 -22.904 -9.204 21.235 1.00 1.88 N ATOM 0 H LYS B 33 -17.508 -6.268 25.291 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.404 -8.412 25.446 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.233 -7.214 23.943 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.455 -8.020 22.596 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.800 -10.235 23.684 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.501 -9.457 25.089 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.351 -10.193 23.693 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -22.281 -8.447 23.566 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -20.819 -8.769 21.448 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -21.208 -10.475 21.532 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -22.857 -9.266 20.198 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -23.586 -9.903 21.593 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.209 -8.249 21.511 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.240 -8.421 23.168 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.168 -9.288 22.595 1.00 0.16 C ATOM 1424 C ASP B 34 -14.280 -9.833 23.714 1.00 0.19 C ATOM 1425 O ASP B 34 -14.373 -9.410 24.850 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.368 -8.382 21.664 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.185 -8.104 20.404 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.230 -8.716 20.250 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.752 -7.286 19.615 1.00 1.09 O ATOM 0 H ASP B 34 -16.089 -7.417 23.071 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.575 -10.148 22.064 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.126 -7.446 22.168 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.422 -8.856 21.401 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.472 -10.816 23.422 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.643 -11.437 24.494 1.00 0.28 C ATOM 1436 C ALA B 35 -11.187 -10.968 24.395 1.00 0.20 C ATOM 1437 O ALA B 35 -10.549 -11.097 23.370 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.738 -12.942 24.242 1.00 0.36 C ATOM 0 H ALA B 35 -13.350 -11.215 22.491 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.991 -11.162 25.490 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.152 -13.474 24.992 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.780 -13.256 24.305 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.350 -13.170 23.249 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.631 -10.523 25.488 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.184 -10.161 25.507 1.00 0.21 C ATOM 1446 C LEU B 36 -8.402 -11.228 26.272 1.00 0.19 C ATOM 1447 O LEU B 36 -8.821 -11.665 27.323 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.113 -8.835 26.264 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.149 -7.858 25.711 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.390 -6.761 26.745 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.623 -7.235 24.415 1.00 0.56 C ATOM 0 H LEU B 36 -11.119 -10.394 26.374 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.764 -10.086 24.504 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.292 -9.004 27.326 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.114 -8.408 26.173 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.082 -8.383 25.503 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.128 -6.056 26.362 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.758 -7.207 27.669 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.456 -6.236 26.943 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.362 -6.538 24.020 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.694 -6.702 24.618 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.438 -8.021 23.683 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.221 -11.558 25.836 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.382 -12.485 26.645 1.00 0.20 C ATOM 1465 C GLU B 37 -5.253 -11.703 27.321 1.00 0.18 C ATOM 1466 O GLU B 37 -4.748 -10.737 26.785 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.834 -13.508 25.651 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.086 -14.608 26.405 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.494 -15.602 25.405 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.638 -15.371 24.215 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.908 -16.578 25.845 1.00 1.07 O ATOM 0 H GLU B 37 -6.803 -11.231 24.965 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.945 -12.975 27.440 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.650 -13.941 25.072 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.165 -13.019 24.943 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.293 -14.172 27.013 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.764 -15.122 27.086 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.981 -12.012 28.556 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.034 -11.178 29.346 1.00 0.20 C ATOM 1480 C ILE B 38 -2.718 -11.922 29.561 1.00 0.19 C ATOM 1481 O ILE B 38 -2.697 -13.085 29.927 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.738 -10.940 30.681 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.098 -10.284 30.431 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.882 -10.020 31.554 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.859 -10.165 31.753 1.00 0.84 C ATOM 0 H ILE B 38 -5.375 -12.809 29.055 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.788 -10.245 28.839 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.882 -11.893 31.190 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.962 -9.298 29.988 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.674 -10.876 29.720 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.385 -9.851 32.506 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.913 -10.486 31.733 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.737 -9.067 31.045 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.827 -9.698 31.575 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -7.008 -11.158 32.178 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.285 -9.555 32.450 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.628 -11.251 29.310 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.284 -11.876 29.454 1.00 0.20 C ATOM 1499 C TYR B 39 0.528 -11.133 30.520 1.00 0.20 C ATOM 1500 O TYR B 39 0.326 -9.959 30.753 1.00 0.19 O ATOM 1501 CB TYR B 39 0.369 -11.684 28.088 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.100 -12.738 27.125 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.456 -12.840 26.798 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.831 -13.602 26.542 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.881 -13.811 25.885 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.406 -14.573 25.632 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.951 -14.679 25.303 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.368 -15.636 24.400 1.00 0.45 O ATOM 0 H TYR B 39 -1.613 -10.278 29.005 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.340 -12.922 29.755 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.127 -10.695 27.699 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.453 -11.731 28.187 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.173 -12.171 27.249 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.878 -13.519 26.795 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.927 -13.891 25.629 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.124 -15.242 25.182 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.595 -16.153 24.091 1.00 0.45 H new ATOM 1518 N VAL B 40 1.532 -11.762 31.066 1.00 0.21 N ATOM 1519 CA VAL B 40 2.446 -11.027 31.990 1.00 0.21 C ATOM 1520 C VAL B 40 3.907 -11.317 31.640 1.00 0.21 C ATOM 1521 O VAL B 40 4.328 -12.456 31.581 1.00 0.23 O ATOM 1522 CB VAL B 40 2.111 -11.551 33.384 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.101 -10.972 34.396 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.691 -11.118 33.758 1.00 0.26 C ATOM 0 H VAL B 40 1.759 -12.745 30.915 1.00 0.21 H new ATOM 0 HA VAL B 40 2.316 -9.947 31.921 1.00 0.21 H new ATOM 0 HB VAL B 40 2.177 -12.639 33.392 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.863 -11.345 35.392 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.114 -11.273 34.128 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.033 -9.884 34.390 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.447 -11.490 34.753 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.629 -10.030 33.752 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.016 -11.525 33.035 1.00 0.26 H new ATOM 1534 N ASP B 41 4.691 -10.293 31.429 1.00 0.21 N ATOM 1535 CA ASP B 41 6.130 -10.511 31.106 1.00 0.21 C ATOM 1536 C ASP B 41 6.984 -9.364 31.661 1.00 0.24 C ATOM 1537 O ASP B 41 6.617 -8.211 31.578 1.00 0.26 O ATOM 1538 CB ASP B 41 6.192 -10.534 29.577 1.00 0.19 C ATOM 1539 CG ASP B 41 5.752 -9.176 29.024 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.162 -8.415 29.774 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.009 -8.921 27.859 1.00 1.77 O ATOM 0 H ASP B 41 4.397 -9.317 31.466 1.00 0.21 H new ATOM 0 HA ASP B 41 6.515 -11.431 31.546 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.206 -10.761 29.248 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.547 -11.322 29.189 1.00 0.19 H new ATOM 1546 N ASP B 42 8.162 -9.666 32.133 1.00 0.27 N ATOM 1547 CA ASP B 42 9.090 -8.586 32.584 1.00 0.32 C ATOM 1548 C ASP B 42 8.346 -7.526 33.406 1.00 0.32 C ATOM 1549 O ASP B 42 8.591 -6.343 33.272 1.00 0.37 O ATOM 1550 CB ASP B 42 9.631 -7.977 31.290 1.00 0.37 C ATOM 1551 CG ASP B 42 10.562 -6.811 31.624 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.860 -6.632 32.793 1.00 1.21 O ATOM 1553 OD2 ASP B 42 10.960 -6.116 30.704 1.00 1.14 O ATOM 0 H ASP B 42 8.524 -10.615 32.227 1.00 0.27 H new ATOM 0 HA ASP B 42 9.881 -8.971 33.228 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.169 -8.733 30.717 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.807 -7.631 30.666 1.00 0.37 H new ATOM 1558 N GLU B 43 7.495 -7.940 34.308 1.00 0.29 N ATOM 1559 CA GLU B 43 6.804 -6.957 35.200 1.00 0.30 C ATOM 1560 C GLU B 43 5.967 -5.977 34.374 1.00 0.29 C ATOM 1561 O GLU B 43 5.434 -5.014 34.890 1.00 0.30 O ATOM 1562 CB GLU B 43 7.931 -6.223 35.929 1.00 0.34 C ATOM 1563 CG GLU B 43 7.338 -5.333 37.023 1.00 1.17 C ATOM 1564 CD GLU B 43 8.456 -4.530 37.690 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.594 -4.676 37.272 1.00 1.92 O ATOM 1566 OE2 GLU B 43 8.157 -3.783 38.607 1.00 1.68 O ATOM 0 H GLU B 43 7.247 -8.917 34.467 1.00 0.29 H new ATOM 0 HA GLU B 43 6.118 -7.444 35.893 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.624 -6.942 36.366 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.502 -5.619 35.224 1.00 0.34 H new ATOM 0 HG2 GLU B 43 6.597 -4.658 36.595 1.00 1.17 H new ATOM 0 HG3 GLU B 43 6.823 -5.944 37.764 1.00 1.17 H new ATOM 1573 N LYS B 44 5.777 -6.260 33.116 1.00 0.29 N ATOM 1574 CA LYS B 44 4.896 -5.397 32.280 1.00 0.30 C ATOM 1575 C LYS B 44 3.629 -6.166 31.902 1.00 0.27 C ATOM 1576 O LYS B 44 3.619 -7.380 31.865 1.00 0.26 O ATOM 1577 CB LYS B 44 5.718 -5.069 31.032 1.00 0.34 C ATOM 1578 CG LYS B 44 6.974 -4.294 31.436 1.00 1.29 C ATOM 1579 CD LYS B 44 7.669 -3.760 30.182 1.00 1.23 C ATOM 1580 CE LYS B 44 8.174 -4.933 29.340 1.00 1.90 C ATOM 1581 NZ LYS B 44 9.085 -4.319 28.334 1.00 2.00 N ATOM 0 H LYS B 44 6.194 -7.053 32.629 1.00 0.29 H new ATOM 0 HA LYS B 44 4.583 -4.493 32.803 1.00 0.30 H new ATOM 0 HB2 LYS B 44 5.995 -5.987 30.515 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.122 -4.479 30.336 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.708 -3.469 32.097 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.651 -4.942 31.992 1.00 1.29 H new ATOM 0 HD2 LYS B 44 6.976 -3.153 29.600 1.00 1.23 H new ATOM 0 HD3 LYS B 44 8.501 -3.114 30.462 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.700 -5.663 29.955 1.00 1.90 H new ATOM 0 HE3 LYS B 44 7.349 -5.457 28.858 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 9.472 -5.062 27.718 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 8.555 -3.633 27.759 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 9.864 -3.833 28.822 1.00 2.00 H new ATOM 1595 N ILE B 45 2.560 -5.474 31.629 1.00 0.28 N ATOM 1596 CA ILE B 45 1.297 -6.174 31.266 1.00 0.26 C ATOM 1597 C ILE B 45 1.169 -6.267 29.744 1.00 0.26 C ATOM 1598 O ILE B 45 1.298 -5.285 29.041 1.00 0.29 O ATOM 1599 CB ILE B 45 0.186 -5.300 31.845 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.417 -5.115 33.345 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.168 -5.976 31.617 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.512 -4.023 33.874 1.00 1.24 C ATOM 0 H ILE B 45 2.505 -4.456 31.641 1.00 0.28 H new ATOM 0 HA ILE B 45 1.258 -7.193 31.652 1.00 0.26 H new ATOM 0 HB ILE B 45 0.193 -4.328 31.352 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.231 -6.052 33.870 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.456 -4.845 33.533 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.960 -5.352 32.030 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.332 -6.110 30.548 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.177 -6.948 32.110 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.347 -3.891 34.943 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.304 -3.086 33.357 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.549 -4.311 33.700 1.00 1.24 H new ATOM 1614 N ILE B 46 0.914 -7.441 29.236 1.00 0.26 N ATOM 1615 CA ILE B 46 0.774 -7.608 27.760 1.00 0.29 C ATOM 1616 C ILE B 46 -0.661 -8.028 27.418 1.00 0.28 C ATOM 1617 O ILE B 46 -1.143 -9.044 27.873 1.00 0.31 O ATOM 1618 CB ILE B 46 1.764 -8.721 27.402 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.173 -8.317 27.843 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.749 -8.968 25.892 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.462 -6.886 27.392 1.00 0.50 C ATOM 0 H ILE B 46 0.796 -8.295 29.781 1.00 0.26 H new ATOM 0 HA ILE B 46 0.976 -6.689 27.209 1.00 0.29 H new ATOM 0 HB ILE B 46 1.472 -9.637 27.916 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.261 -8.392 28.927 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.908 -8.999 27.416 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.456 -9.761 25.646 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.747 -9.266 25.582 1.00 0.37 H new ATOM 0 HG23 ILE B 46 2.033 -8.054 25.371 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.466 -6.601 27.707 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.392 -6.826 26.306 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.735 -6.209 27.841 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.350 -7.253 26.627 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.752 -7.618 26.269 1.00 0.29 C ATOM 1635 C LEU B 47 -2.871 -7.852 24.762 1.00 0.31 C ATOM 1636 O LEU B 47 -2.357 -7.092 23.966 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.600 -6.418 26.690 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.390 -6.140 28.179 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -2.080 -5.376 28.376 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.554 -5.300 28.708 1.00 1.23 C ATOM 0 H LEU B 47 -1.006 -6.386 26.214 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.073 -8.536 26.761 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.325 -5.541 26.104 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.653 -6.616 26.492 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.345 -7.084 28.722 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.930 -5.178 29.437 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.250 -5.973 27.998 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.124 -4.432 27.833 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.406 -5.101 29.769 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.598 -4.356 28.164 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.488 -5.844 28.568 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.536 -8.901 24.366 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.676 -9.188 22.910 1.00 0.34 C ATOM 1654 C LYS B 48 -5.066 -9.751 22.609 1.00 0.27 C ATOM 1655 O LYS B 48 -5.735 -10.270 23.479 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.597 -10.230 22.609 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.839 -11.481 23.457 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.753 -12.517 23.159 1.00 0.85 C ATOM 1659 CE LYS B 48 -0.429 -12.063 23.778 1.00 1.54 C ATOM 1660 NZ LYS B 48 0.623 -12.608 22.876 1.00 1.74 N ATOM 0 H LYS B 48 -3.989 -9.572 24.987 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.561 -8.292 22.300 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.612 -10.488 21.550 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.611 -9.819 22.823 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.830 -11.223 24.516 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.823 -11.897 23.239 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -2.041 -13.488 23.563 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.639 -12.641 22.082 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -0.373 -10.976 23.838 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -0.316 -12.445 24.793 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 1.561 -12.338 23.234 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 0.549 -13.645 22.844 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 0.494 -12.222 21.919 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.474 -9.725 21.370 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.783 -10.340 21.010 1.00 0.25 C ATOM 1676 C LYS B 49 -6.811 -11.800 21.460 1.00 0.22 C ATOM 1677 O LYS B 49 -5.791 -12.456 21.532 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.867 -10.248 19.487 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.205 -10.822 19.014 1.00 0.30 C ATOM 1680 CD LYS B 49 -9.325 -9.826 19.318 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.656 -10.379 18.802 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.395 -10.740 17.381 1.00 1.65 N ATOM 0 H LYS B 49 -4.960 -9.307 20.594 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.622 -9.837 21.490 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.772 -9.210 19.169 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.042 -10.797 19.033 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.167 -11.027 17.944 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -8.402 -11.771 19.513 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -9.385 -9.647 20.392 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -9.111 -8.867 18.847 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.973 -11.248 19.379 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -11.450 -9.636 18.882 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -11.290 -10.734 16.851 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.740 -10.049 16.962 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.972 -11.689 17.336 1.00 1.65 H new ATOM 1696 N TYR B 50 -7.958 -12.291 21.836 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.027 -13.683 22.364 1.00 0.22 C ATOM 1698 C TYR B 50 -8.525 -14.643 21.282 1.00 0.25 C ATOM 1699 O TYR B 50 -9.648 -14.555 20.826 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.024 -13.612 23.521 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.188 -14.982 24.131 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.129 -15.895 24.099 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.403 -15.339 24.730 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.283 -17.166 24.665 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.558 -16.609 25.295 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.499 -17.523 25.263 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.651 -18.776 25.821 1.00 0.65 O ATOM 0 H TYR B 50 -8.847 -11.792 21.801 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.052 -14.052 22.683 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.673 -12.907 24.274 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -9.986 -13.244 23.164 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.192 -15.619 23.638 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.220 -14.633 24.756 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.465 -17.871 24.641 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.495 -16.884 25.756 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.553 -18.861 26.194 1.00 0.65 H new