USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00362) USER MOD Single : A 27 THR OG1 : rot 92:sc= 0.774 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0872 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 0.215 (180deg=0.123) USER MOD Single : A 48 LYS NZ :NH3+ 132:sc= 0.54 (180deg=-0.0747) 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+ -158:sc= 0 (180deg=-0.000813) USER MOD Single : B 27 THR OG1 : rot 92:sc= 0.746 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= -0.127 USER MOD Single : B 44 LYS NZ :NH3+ 161:sc= 0.188 (180deg=0.121) USER MOD Single : B 48 LYS NZ :NH3+ 137:sc= 0.56 (180deg=-0.0506) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -5.116 -15.359 31.206 1.00 0.37 N ATOM 93 CA ILE A 8 -6.464 -15.026 31.757 1.00 0.37 C ATOM 94 C ILE A 8 -7.184 -14.053 30.824 1.00 0.32 C ATOM 95 O ILE A 8 -6.606 -13.106 30.344 1.00 0.30 O ATOM 96 CB ILE A 8 -6.196 -14.365 33.105 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.314 -15.280 33.958 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.522 -14.120 33.827 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.943 -14.564 35.259 1.00 1.36 C ATOM 0 HA ILE A 8 -7.096 -15.908 31.856 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.687 -13.414 32.946 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.841 -16.208 34.179 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.412 -15.549 33.408 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.330 -13.648 34.790 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.151 -13.467 33.222 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -8.032 -15.071 33.984 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.315 -15.216 35.867 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.399 -13.648 35.028 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.850 -14.318 35.810 1.00 1.36 H new ATOM 111 N VAL A 9 -8.419 -14.312 30.511 1.00 0.32 N ATOM 112 CA VAL A 9 -9.140 -13.433 29.543 1.00 0.29 C ATOM 113 C VAL A 9 -10.266 -12.665 30.241 1.00 0.32 C ATOM 114 O VAL A 9 -10.938 -13.180 31.114 1.00 0.37 O ATOM 115 CB VAL A 9 -9.705 -14.376 28.483 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.533 -13.577 27.476 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.548 -15.069 27.751 1.00 0.30 C ATOM 0 H VAL A 9 -8.963 -15.092 30.880 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.479 -12.684 29.107 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.337 -15.123 28.962 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.936 -14.251 26.720 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.354 -13.080 27.993 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.901 -12.830 26.996 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.948 -15.743 26.994 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.918 -14.319 27.273 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.954 -15.638 28.466 1.00 0.30 H new ATOM 127 N ARG A 10 -10.488 -11.443 29.840 1.00 0.31 N ATOM 128 CA ARG A 10 -11.580 -10.634 30.449 1.00 0.36 C ATOM 129 C ARG A 10 -12.506 -10.102 29.352 1.00 0.31 C ATOM 130 O ARG A 10 -12.124 -9.998 28.205 1.00 0.27 O ATOM 131 CB ARG A 10 -10.872 -9.483 31.164 1.00 0.40 C ATOM 132 CG ARG A 10 -11.900 -8.643 31.926 1.00 0.73 C ATOM 133 CD ARG A 10 -12.400 -9.427 33.141 1.00 0.86 C ATOM 134 NE ARG A 10 -13.427 -8.549 33.768 1.00 1.13 N ATOM 135 CZ ARG A 10 -14.214 -9.020 34.699 1.00 1.36 C ATOM 136 NH1 ARG A 10 -14.103 -10.263 35.084 1.00 1.61 N ATOM 137 NH2 ARG A 10 -15.111 -8.246 35.246 1.00 1.91 N ATOM 0 H ARG A 10 -9.955 -10.968 29.111 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.197 -11.215 31.135 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.124 -9.875 31.854 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.344 -8.862 30.441 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.451 -7.703 32.246 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.736 -8.392 31.273 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -12.827 -10.385 32.844 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.587 -9.641 33.835 1.00 0.86 H new ATOM 0 HE ARG A 10 -13.516 -7.578 33.470 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -13.401 -10.868 34.658 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.718 -10.629 35.811 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -15.197 -7.275 34.947 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -15.726 -8.612 35.973 1.00 1.91 H new ATOM 151 N LYS A 11 -13.719 -9.766 29.694 1.00 0.32 N ATOM 152 CA LYS A 11 -14.665 -9.243 28.666 1.00 0.29 C ATOM 153 C LYS A 11 -14.429 -7.746 28.444 1.00 0.26 C ATOM 154 O LYS A 11 -14.143 -7.010 29.367 1.00 0.27 O ATOM 155 CB LYS A 11 -16.056 -9.488 29.247 1.00 0.33 C ATOM 156 CG LYS A 11 -17.115 -9.247 28.169 1.00 1.02 C ATOM 157 CD LYS A 11 -18.508 -9.434 28.775 1.00 1.03 C ATOM 158 CE LYS A 11 -19.560 -9.402 27.665 1.00 1.81 C ATOM 159 NZ LYS A 11 -19.637 -10.804 27.167 1.00 2.21 N ATOM 0 H LYS A 11 -14.097 -9.830 30.639 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.537 -9.730 27.700 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.130 -10.509 29.621 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.229 -8.825 30.095 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -17.015 -8.240 27.764 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.971 -9.940 27.340 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -18.558 -10.382 29.310 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.708 -8.647 29.502 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -20.524 -9.064 28.045 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -19.273 -8.715 26.869 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -19.995 -10.806 26.191 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -18.690 -11.233 27.189 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -20.280 -11.353 27.773 1.00 2.21 H new ATOM 173 N VAL A 12 -14.567 -7.288 27.230 1.00 0.22 N ATOM 174 CA VAL A 12 -14.371 -5.834 26.954 1.00 0.21 C ATOM 175 C VAL A 12 -15.632 -5.059 27.334 1.00 0.20 C ATOM 176 O VAL A 12 -16.717 -5.378 26.897 1.00 0.20 O ATOM 177 CB VAL A 12 -14.135 -5.735 25.445 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.664 -4.322 25.096 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.071 -6.747 25.015 1.00 0.28 C ATOM 0 H VAL A 12 -14.807 -7.856 26.417 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.541 -5.418 27.525 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.066 -5.952 24.922 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.495 -4.250 24.022 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.425 -3.601 25.393 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.735 -4.107 25.624 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.909 -6.670 23.940 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.138 -6.538 25.538 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.407 -7.755 25.260 1.00 0.28 H new ATOM 189 N ASP A 13 -15.502 -4.042 28.140 1.00 0.20 N ATOM 190 CA ASP A 13 -16.707 -3.259 28.537 1.00 0.21 C ATOM 191 C ASP A 13 -16.996 -2.173 27.491 1.00 0.22 C ATOM 192 O ASP A 13 -16.431 -2.171 26.415 1.00 0.22 O ATOM 193 CB ASP A 13 -16.367 -2.660 29.908 1.00 0.21 C ATOM 194 CG ASP A 13 -15.709 -1.290 29.748 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.507 -1.244 29.558 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.421 -0.304 29.817 1.00 0.55 O ATOM 0 H ASP A 13 -14.620 -3.720 28.539 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.607 -3.871 28.595 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.274 -2.566 30.505 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.698 -3.330 30.448 1.00 0.21 H new ATOM 201 N GLU A 14 -17.961 -1.335 27.744 1.00 0.23 N ATOM 202 CA GLU A 14 -18.397 -0.359 26.703 1.00 0.26 C ATOM 203 C GLU A 14 -17.230 0.511 26.217 1.00 0.26 C ATOM 204 O GLU A 14 -17.178 0.896 25.066 1.00 0.29 O ATOM 205 CB GLU A 14 -19.454 0.504 27.391 1.00 0.28 C ATOM 206 CG GLU A 14 -20.655 -0.362 27.771 1.00 1.22 C ATOM 207 CD GLU A 14 -21.741 0.515 28.398 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.462 1.675 28.655 1.00 2.19 O ATOM 209 OE2 GLU A 14 -22.833 0.014 28.609 1.00 1.99 O ATOM 0 H GLU A 14 -18.468 -1.282 28.627 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.781 -0.867 25.819 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.033 0.971 28.282 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.769 1.309 26.727 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.046 -0.867 26.888 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.349 -1.138 28.473 1.00 1.22 H new ATOM 216 N LEU A 15 -16.363 0.927 27.099 1.00 0.23 N ATOM 217 CA LEU A 15 -15.296 1.887 26.685 1.00 0.24 C ATOM 218 C LEU A 15 -14.088 1.161 26.080 1.00 0.22 C ATOM 219 O LEU A 15 -13.152 1.785 25.622 1.00 0.24 O ATOM 220 CB LEU A 15 -14.891 2.618 27.964 1.00 0.28 C ATOM 221 CG LEU A 15 -13.709 3.544 27.663 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.003 4.358 26.401 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.498 4.497 28.841 1.00 1.38 C ATOM 0 H LEU A 15 -16.345 0.648 28.080 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.658 2.569 25.915 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.732 3.195 28.349 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.618 1.899 28.737 1.00 0.28 H new ATOM 0 HG LEU A 15 -12.811 2.946 27.509 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.161 5.016 26.188 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.157 3.682 25.560 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -14.901 4.956 26.555 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.657 5.157 28.629 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.398 5.093 28.993 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.289 3.921 29.742 1.00 1.38 H new ATOM 235 N GLY A 16 -14.067 -0.143 26.108 1.00 0.21 N ATOM 236 CA GLY A 16 -12.876 -0.861 25.570 1.00 0.19 C ATOM 237 C GLY A 16 -11.758 -0.859 26.616 1.00 0.20 C ATOM 238 O GLY A 16 -10.626 -0.511 26.330 1.00 0.20 O ATOM 0 H GLY A 16 -14.811 -0.736 26.475 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.143 -1.885 25.311 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.532 -0.380 24.654 1.00 0.19 H new ATOM 242 N ARG A 17 -12.075 -1.175 27.841 1.00 0.24 N ATOM 243 CA ARG A 17 -11.043 -1.127 28.911 1.00 0.26 C ATOM 244 C ARG A 17 -10.767 -2.538 29.439 1.00 0.26 C ATOM 245 O ARG A 17 -11.602 -3.416 29.359 1.00 0.26 O ATOM 246 CB ARG A 17 -11.652 -0.248 30.004 1.00 0.28 C ATOM 247 CG ARG A 17 -11.788 1.185 29.485 1.00 0.28 C ATOM 248 CD ARG A 17 -12.339 2.083 30.594 1.00 0.29 C ATOM 249 NE ARG A 17 -13.754 1.658 30.764 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.595 2.434 31.398 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.186 3.562 31.916 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.848 2.085 31.515 1.00 1.15 N ATOM 0 H ARG A 17 -13.004 -1.464 28.146 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.091 -0.732 28.556 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.628 -0.635 30.296 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.023 -0.266 30.894 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.818 1.555 29.152 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.452 1.208 28.621 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.776 1.959 31.519 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.273 3.136 30.319 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.068 0.764 30.387 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.209 3.840 31.827 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -14.844 4.165 32.410 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.172 1.206 31.112 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.502 2.691 32.010 1.00 1.15 H new ATOM 266 N VAL A 18 -9.594 -2.763 29.963 1.00 0.26 N ATOM 267 CA VAL A 18 -9.254 -4.120 30.480 1.00 0.25 C ATOM 268 C VAL A 18 -8.821 -4.023 31.943 1.00 0.24 C ATOM 269 O VAL A 18 -8.409 -2.979 32.407 1.00 0.24 O ATOM 270 CB VAL A 18 -8.094 -4.596 29.608 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.514 -4.566 28.138 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.891 -3.674 29.814 1.00 0.26 C ATOM 0 H VAL A 18 -8.855 -2.066 30.056 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.100 -4.807 30.439 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.824 -5.615 29.887 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.686 -4.906 27.516 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.371 -5.223 27.991 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.785 -3.548 27.858 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.062 -4.013 29.192 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.161 -2.655 29.535 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.591 -3.696 30.862 1.00 0.26 H new ATOM 282 N VAL A 19 -8.996 -5.074 32.696 1.00 0.22 N ATOM 283 CA VAL A 19 -8.688 -4.998 34.152 1.00 0.21 C ATOM 284 C VAL A 19 -7.498 -5.892 34.500 1.00 0.22 C ATOM 285 O VAL A 19 -7.472 -7.061 34.171 1.00 0.23 O ATOM 286 CB VAL A 19 -9.953 -5.503 34.844 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.852 -5.246 36.348 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.170 -4.769 34.278 1.00 0.24 C ATOM 0 H VAL A 19 -9.337 -5.978 32.368 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.420 -3.988 34.462 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.061 -6.573 34.668 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.755 -5.607 36.840 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.985 -5.771 36.749 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.743 -4.176 36.528 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.073 -5.128 34.771 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.063 -3.698 34.453 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.242 -4.956 33.207 1.00 0.24 H new ATOM 298 N ILE A 20 -6.566 -5.383 35.260 1.00 0.22 N ATOM 299 CA ILE A 20 -5.448 -6.242 35.738 1.00 0.24 C ATOM 300 C ILE A 20 -5.893 -7.010 36.988 1.00 0.24 C ATOM 301 O ILE A 20 -6.460 -6.436 37.890 1.00 0.23 O ATOM 302 CB ILE A 20 -4.318 -5.256 36.064 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.498 -4.993 34.798 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.403 -5.834 37.148 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.394 -4.360 33.732 1.00 1.38 C ATOM 0 H ILE A 20 -6.532 -4.412 35.569 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.132 -6.986 35.006 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.753 -4.325 36.428 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.662 -4.332 35.025 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.075 -5.926 34.426 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.606 -5.123 37.369 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.983 -6.021 38.052 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.968 -6.769 36.796 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -3.810 -4.173 32.831 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.215 -5.037 33.498 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.795 -3.418 34.107 1.00 1.38 H new ATOM 317 N PRO A 21 -5.563 -8.272 37.027 1.00 0.28 N ATOM 318 CA PRO A 21 -5.876 -9.096 38.221 1.00 0.30 C ATOM 319 C PRO A 21 -5.214 -8.489 39.461 1.00 0.28 C ATOM 320 O PRO A 21 -4.119 -7.971 39.398 1.00 0.27 O ATOM 321 CB PRO A 21 -5.284 -10.470 37.898 1.00 0.35 C ATOM 322 CG PRO A 21 -4.404 -10.271 36.701 1.00 0.35 C ATOM 323 CD PRO A 21 -4.880 -9.036 35.986 1.00 0.32 C ATOM 0 HA PRO A 21 -6.943 -9.152 38.434 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.713 -10.857 38.742 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.071 -11.194 37.687 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.363 -10.160 37.005 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.453 -11.138 36.042 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.048 -8.475 35.559 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.553 -9.283 35.165 1.00 0.32 H new ATOM 331 N ILE A 22 -5.884 -8.507 40.580 1.00 0.30 N ATOM 332 CA ILE A 22 -5.300 -7.877 41.802 1.00 0.30 C ATOM 333 C ILE A 22 -3.929 -8.478 42.107 1.00 0.32 C ATOM 334 O ILE A 22 -3.051 -7.810 42.612 1.00 0.32 O ATOM 335 CB ILE A 22 -6.295 -8.186 42.922 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.013 -7.274 44.118 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.150 -9.647 43.351 1.00 0.42 C ATOM 338 CD1 ILE A 22 -4.631 -7.593 44.692 1.00 1.11 C ATOM 0 H ILE A 22 -6.805 -8.927 40.703 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.148 -6.804 41.682 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.309 -8.014 42.562 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.058 -6.229 43.810 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -6.777 -7.414 44.883 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.860 -9.864 44.149 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.351 -10.298 42.500 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.136 -9.822 43.710 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -4.432 -6.943 45.544 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -4.603 -8.633 45.016 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -3.873 -7.431 43.926 1.00 1.11 H new ATOM 350 N GLU A 23 -3.724 -9.722 41.783 1.00 0.36 N ATOM 351 CA GLU A 23 -2.391 -10.336 42.036 1.00 0.40 C ATOM 352 C GLU A 23 -1.307 -9.549 41.295 1.00 0.37 C ATOM 353 O GLU A 23 -0.219 -9.341 41.793 1.00 0.39 O ATOM 354 CB GLU A 23 -2.498 -11.754 41.473 1.00 0.44 C ATOM 355 CG GLU A 23 -3.542 -12.542 42.268 1.00 1.22 C ATOM 356 CD GLU A 23 -3.601 -13.980 41.750 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.983 -14.248 40.732 1.00 2.37 O ATOM 358 OE2 GLU A 23 -4.262 -14.790 42.380 1.00 2.01 O ATOM 0 H GLU A 23 -4.416 -10.338 41.357 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.125 -10.335 43.093 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.778 -11.718 40.420 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -1.530 -12.253 41.529 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -3.287 -12.536 43.328 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -4.520 -12.070 42.172 1.00 1.22 H new ATOM 365 N LEU A 24 -1.627 -9.049 40.133 1.00 0.34 N ATOM 366 CA LEU A 24 -0.653 -8.213 39.379 1.00 0.33 C ATOM 367 C LEU A 24 -0.656 -6.779 39.910 1.00 0.29 C ATOM 368 O LEU A 24 0.361 -6.120 39.932 1.00 0.29 O ATOM 369 CB LEU A 24 -1.127 -8.252 37.926 1.00 0.33 C ATOM 370 CG LEU A 24 -1.052 -9.688 37.405 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.369 -9.704 35.908 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.358 -10.238 37.632 1.00 1.75 C ATOM 0 H LEU A 24 -2.527 -9.185 39.672 1.00 0.34 H new ATOM 0 HA LEU A 24 0.367 -8.583 39.481 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.149 -7.881 37.856 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.508 -7.598 37.312 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.775 -10.307 37.937 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.316 -10.727 35.536 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.372 -9.310 35.744 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.645 -9.086 35.376 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.413 -11.262 37.261 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.080 -9.619 37.099 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.586 -10.225 38.698 1.00 1.75 H new ATOM 384 N ARG A 25 -1.765 -6.320 40.423 1.00 0.25 N ATOM 385 CA ARG A 25 -1.772 -4.963 41.039 1.00 0.23 C ATOM 386 C ARG A 25 -0.720 -4.912 42.144 1.00 0.25 C ATOM 387 O ARG A 25 -0.001 -3.944 42.289 1.00 0.25 O ATOM 388 CB ARG A 25 -3.167 -4.779 41.648 1.00 0.22 C ATOM 389 CG ARG A 25 -4.252 -4.902 40.575 1.00 0.21 C ATOM 390 CD ARG A 25 -5.608 -4.550 41.201 1.00 0.22 C ATOM 391 NE ARG A 25 -6.627 -5.151 40.300 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.838 -5.372 40.736 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.164 -5.064 41.961 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.727 -5.905 39.941 1.00 0.27 N ATOM 0 H ARG A 25 -2.655 -6.818 40.443 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.550 -4.183 40.310 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.331 -5.527 42.424 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.233 -3.802 42.127 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.036 -4.234 39.742 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.273 -5.915 40.174 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.691 -4.952 42.211 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.738 -3.470 41.276 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.380 -5.391 39.340 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.471 -4.648 42.584 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.111 -5.239 42.296 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.474 -6.147 38.983 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.674 -6.079 40.278 1.00 0.27 H new ATOM 408 N ARG A 26 -0.660 -5.933 42.952 1.00 0.29 N ATOM 409 CA ARG A 26 0.308 -5.928 44.088 1.00 0.33 C ATOM 410 C ARG A 26 1.740 -6.118 43.580 1.00 0.35 C ATOM 411 O ARG A 26 2.641 -5.391 43.946 1.00 0.35 O ATOM 412 CB ARG A 26 -0.106 -7.113 44.960 1.00 0.37 C ATOM 413 CG ARG A 26 0.745 -7.134 46.231 1.00 1.07 C ATOM 414 CD ARG A 26 0.368 -8.351 47.080 1.00 1.25 C ATOM 415 NE ARG A 26 1.156 -8.204 48.334 1.00 1.85 N ATOM 416 CZ ARG A 26 1.168 -9.166 49.218 1.00 2.32 C ATOM 417 NH1 ARG A 26 0.490 -10.262 49.006 1.00 2.40 N ATOM 418 NH2 ARG A 26 1.861 -9.032 50.316 1.00 3.26 N ATOM 0 H ARG A 26 -1.238 -6.770 42.877 1.00 0.29 H new ATOM 0 HA ARG A 26 0.292 -4.985 44.634 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.162 -7.037 45.218 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.021 -8.045 44.409 1.00 0.37 H new ATOM 0 HG2 ARG A 26 1.803 -7.172 45.972 1.00 1.07 H new ATOM 0 HG3 ARG A 26 0.589 -6.218 46.801 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.702 -8.372 47.286 1.00 1.25 H new ATOM 0 HD3 ARG A 26 0.612 -9.281 46.567 1.00 1.25 H new ATOM 0 HE ARG A 26 1.688 -7.350 48.504 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -0.051 -10.369 48.148 1.00 2.40 H new ATOM 0 HH12 ARG A 26 0.502 -11.011 49.698 1.00 2.40 H new ATOM 0 HH21 ARG A 26 2.392 -8.177 50.483 1.00 3.26 H new ATOM 0 HH22 ARG A 26 1.871 -9.782 51.007 1.00 3.26 H new ATOM 432 N THR A 27 1.962 -7.110 42.763 1.00 0.37 N ATOM 433 CA THR A 27 3.345 -7.381 42.268 1.00 0.41 C ATOM 434 C THR A 27 3.868 -6.213 41.427 1.00 0.39 C ATOM 435 O THR A 27 5.057 -5.971 41.363 1.00 0.42 O ATOM 436 CB THR A 27 3.219 -8.642 41.412 1.00 0.44 C ATOM 437 OG1 THR A 27 2.627 -9.679 42.182 1.00 0.61 O ATOM 438 CG2 THR A 27 4.605 -9.081 40.939 1.00 0.77 C ATOM 0 H THR A 27 1.245 -7.747 42.415 1.00 0.37 H new ATOM 0 HA THR A 27 4.050 -7.507 43.090 1.00 0.41 H new ATOM 0 HB THR A 27 2.593 -8.431 40.545 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.654 -9.660 42.064 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.514 -9.980 40.329 1.00 0.77 H new ATOM 0 HG22 THR A 27 5.056 -8.285 40.347 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.235 -9.292 41.803 1.00 0.77 H new ATOM 446 N LEU A 28 3.002 -5.521 40.742 1.00 0.35 N ATOM 447 CA LEU A 28 3.472 -4.416 39.858 1.00 0.34 C ATOM 448 C LEU A 28 3.577 -3.102 40.640 1.00 0.32 C ATOM 449 O LEU A 28 4.040 -2.103 40.126 1.00 0.33 O ATOM 450 CB LEU A 28 2.412 -4.312 38.759 1.00 0.32 C ATOM 451 CG LEU A 28 2.940 -3.435 37.623 1.00 0.44 C ATOM 452 CD1 LEU A 28 4.038 -4.188 36.864 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.796 -3.101 36.663 1.00 1.05 C ATOM 0 H LEU A 28 1.993 -5.671 40.755 1.00 0.35 H new ATOM 0 HA LEU A 28 4.464 -4.611 39.451 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.165 -5.304 38.382 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.493 -3.887 39.164 1.00 0.32 H new ATOM 0 HG LEU A 28 3.350 -2.513 38.036 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.415 -3.563 36.054 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.853 -4.428 37.547 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.628 -5.110 36.451 1.00 0.70 H new ATOM 0 HD21 LEU A 28 2.172 -2.476 35.853 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.387 -4.023 36.250 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.014 -2.566 37.201 1.00 1.05 H new ATOM 465 N GLY A 29 3.178 -3.096 41.883 1.00 0.32 N ATOM 466 CA GLY A 29 3.287 -1.850 42.692 1.00 0.32 C ATOM 467 C GLY A 29 2.333 -0.791 42.139 1.00 0.29 C ATOM 468 O GLY A 29 2.669 0.372 42.041 1.00 0.29 O ATOM 0 H GLY A 29 2.782 -3.899 42.372 1.00 0.32 H new ATOM 0 HA2 GLY A 29 3.048 -2.060 43.735 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.311 -1.478 42.669 1.00 0.32 H new ATOM 472 N ILE A 30 1.152 -1.187 41.767 1.00 0.27 N ATOM 473 CA ILE A 30 0.178 -0.204 41.206 1.00 0.24 C ATOM 474 C ILE A 30 -1.051 -0.087 42.108 1.00 0.23 C ATOM 475 O ILE A 30 -1.535 -1.059 42.653 1.00 0.26 O ATOM 476 CB ILE A 30 -0.212 -0.757 39.838 1.00 0.26 C ATOM 477 CG1 ILE A 30 1.043 -0.908 38.976 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.184 0.207 39.155 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.837 0.401 38.999 1.00 0.29 C ATOM 0 H ILE A 30 0.815 -2.148 41.825 1.00 0.27 H new ATOM 0 HA ILE A 30 0.609 0.795 41.133 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.691 -1.728 39.961 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.658 -1.726 39.351 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.766 -1.160 37.952 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.462 -0.188 38.178 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.078 0.319 39.769 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.706 1.178 39.030 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.731 0.295 38.385 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.220 1.208 38.604 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.126 0.633 40.024 1.00 0.29 H new ATOM 491 N ALA A 31 -1.530 1.108 42.297 1.00 0.22 N ATOM 492 CA ALA A 31 -2.697 1.324 43.197 1.00 0.23 C ATOM 493 C ALA A 31 -3.619 2.398 42.612 1.00 0.20 C ATOM 494 O ALA A 31 -3.257 3.111 41.698 1.00 0.18 O ATOM 495 CB ALA A 31 -2.095 1.810 44.514 1.00 0.23 C ATOM 0 H ALA A 31 -1.160 1.954 41.863 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.292 0.420 43.325 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -2.893 1.993 45.233 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.419 1.051 44.907 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.543 2.734 44.343 1.00 0.23 H new ATOM 501 N GLU A 32 -4.809 2.517 43.128 1.00 0.22 N ATOM 502 CA GLU A 32 -5.751 3.541 42.595 1.00 0.21 C ATOM 503 C GLU A 32 -5.095 4.926 42.589 1.00 0.19 C ATOM 504 O GLU A 32 -4.337 5.266 43.473 1.00 0.20 O ATOM 505 CB GLU A 32 -6.941 3.519 43.556 1.00 0.25 C ATOM 506 CG GLU A 32 -8.037 4.450 43.033 1.00 0.27 C ATOM 507 CD GLU A 32 -9.177 4.517 44.050 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.070 3.865 45.075 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.139 5.221 43.787 1.00 1.13 O ATOM 0 H GLU A 32 -5.171 1.951 43.895 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.046 3.330 41.567 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.326 2.504 43.651 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.625 3.835 44.550 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.631 5.447 42.860 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.411 4.088 42.075 1.00 0.27 H new ATOM 516 N LYS A 33 -5.433 5.741 41.622 1.00 0.19 N ATOM 517 CA LYS A 33 -4.901 7.140 41.564 1.00 0.20 C ATOM 518 C LYS A 33 -3.435 7.156 41.114 1.00 0.18 C ATOM 519 O LYS A 33 -2.882 8.201 40.834 1.00 0.21 O ATOM 520 CB LYS A 33 -5.032 7.696 42.985 1.00 0.23 C ATOM 521 CG LYS A 33 -4.943 9.223 42.943 1.00 0.29 C ATOM 522 CD LYS A 33 -5.010 9.778 44.367 1.00 0.87 C ATOM 523 CE LYS A 33 -5.084 11.306 44.317 1.00 1.35 C ATOM 524 NZ LYS A 33 -5.719 11.704 45.604 1.00 1.88 N ATOM 0 H LYS A 33 -6.064 5.494 40.859 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.454 7.741 40.842 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.982 7.388 43.422 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.243 7.292 43.620 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -4.013 9.531 42.465 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.758 9.629 42.344 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.882 9.378 44.884 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.133 9.464 44.933 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.092 11.746 44.214 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.673 11.645 43.465 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -5.804 12.740 45.644 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -6.665 11.276 45.671 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -5.133 11.374 46.397 1.00 1.88 H new ATOM 538 N ASP A 34 -2.831 6.012 40.938 1.00 0.16 N ATOM 539 CA ASP A 34 -1.445 5.990 40.385 1.00 0.16 C ATOM 540 C ASP A 34 -1.479 6.237 38.875 1.00 0.19 C ATOM 541 O ASP A 34 -2.532 6.275 38.269 1.00 0.20 O ATOM 542 CB ASP A 34 -0.910 4.594 40.693 1.00 0.17 C ATOM 543 CG ASP A 34 -0.581 4.500 42.182 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.659 5.516 42.853 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.257 3.414 42.624 1.00 1.08 O ATOM 0 H ASP A 34 -3.232 5.099 41.151 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.815 6.765 40.820 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.650 3.840 40.423 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.019 4.393 40.098 1.00 0.17 H new ATOM 550 N ALA A 35 -0.346 6.485 38.278 1.00 0.22 N ATOM 551 CA ALA A 35 -0.333 6.825 36.826 1.00 0.28 C ATOM 552 C ALA A 35 0.199 5.649 35.998 1.00 0.20 C ATOM 553 O ALA A 35 1.263 5.124 36.257 1.00 0.16 O ATOM 554 CB ALA A 35 0.605 8.027 36.712 1.00 0.36 C ATOM 0 H ALA A 35 0.568 6.467 38.730 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.332 7.044 36.449 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.670 8.340 35.670 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.218 8.849 37.315 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.597 7.750 37.070 1.00 0.36 H new ATOM 560 N LEU A 36 -0.497 5.297 34.950 1.00 0.24 N ATOM 561 CA LEU A 36 0.004 4.229 34.037 1.00 0.21 C ATOM 562 C LEU A 36 0.439 4.855 32.711 1.00 0.20 C ATOM 563 O LEU A 36 -0.245 5.702 32.176 1.00 0.23 O ATOM 564 CB LEU A 36 -1.194 3.311 33.803 1.00 0.34 C ATOM 565 CG LEU A 36 -1.835 2.937 35.139 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.254 2.429 34.885 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.012 1.836 35.810 1.00 0.56 C ATOM 0 H LEU A 36 -1.394 5.705 34.686 1.00 0.24 H new ATOM 0 HA LEU A 36 0.857 3.694 34.454 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.925 3.809 33.166 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.875 2.410 33.278 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.866 3.811 35.790 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.719 2.160 35.833 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.840 3.212 34.403 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.216 1.553 34.238 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.469 1.569 36.763 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.982 0.959 35.164 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.003 2.194 35.982 1.00 0.56 H new ATOM 579 N GLU A 37 1.470 4.344 32.096 1.00 0.19 N ATOM 580 CA GLU A 37 1.806 4.821 30.727 1.00 0.21 C ATOM 581 C GLU A 37 1.504 3.716 29.713 1.00 0.19 C ATOM 582 O GLU A 37 1.640 2.543 29.999 1.00 0.20 O ATOM 583 CB GLU A 37 3.300 5.148 30.759 1.00 0.25 C ATOM 584 CG GLU A 37 3.717 5.767 29.424 1.00 0.26 C ATOM 585 CD GLU A 37 5.223 6.033 29.433 1.00 0.37 C ATOM 586 OE1 GLU A 37 5.856 5.710 30.424 1.00 1.08 O ATOM 587 OE2 GLU A 37 5.719 6.554 28.447 1.00 1.17 O ATOM 0 H GLU A 37 2.087 3.626 32.477 1.00 0.19 H new ATOM 0 HA GLU A 37 1.223 5.694 30.434 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.514 5.839 31.575 1.00 0.25 H new ATOM 0 HB3 GLU A 37 3.877 4.243 30.948 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.460 5.096 28.604 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.174 6.697 29.257 1.00 0.26 H new ATOM 594 N ILE A 38 0.944 4.080 28.595 1.00 0.21 N ATOM 595 CA ILE A 38 0.454 3.054 27.635 1.00 0.20 C ATOM 596 C ILE A 38 1.335 3.021 26.387 1.00 0.20 C ATOM 597 O ILE A 38 1.680 4.046 25.826 1.00 0.24 O ATOM 598 CB ILE A 38 -0.965 3.495 27.276 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.799 3.615 28.553 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.603 2.461 26.347 1.00 0.73 C ATOM 601 CD1 ILE A 38 -3.180 4.177 28.210 1.00 0.84 C ATOM 0 H ILE A 38 0.804 5.047 28.304 1.00 0.21 H new ATOM 0 HA ILE A 38 0.477 2.051 28.061 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.928 4.461 26.772 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.900 2.639 29.027 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.297 4.267 29.268 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.615 2.776 26.092 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -1.009 2.374 25.437 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.640 1.494 26.849 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.774 4.262 29.120 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -3.069 5.161 27.755 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.682 3.508 27.511 1.00 0.84 H new ATOM 613 N TYR A 39 1.711 1.843 25.976 1.00 0.19 N ATOM 614 CA TYR A 39 2.595 1.684 24.788 1.00 0.21 C ATOM 615 C TYR A 39 1.869 0.887 23.701 1.00 0.20 C ATOM 616 O TYR A 39 0.990 0.100 23.986 1.00 0.20 O ATOM 617 CB TYR A 39 3.778 0.874 25.307 1.00 0.24 C ATOM 618 CG TYR A 39 4.745 1.760 26.042 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.330 2.470 27.172 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.064 1.848 25.602 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.241 3.275 27.865 1.00 0.37 C ATOM 622 CE2 TYR A 39 6.977 2.651 26.289 1.00 0.36 C ATOM 623 CZ TYR A 39 6.568 3.366 27.423 1.00 0.39 C ATOM 624 OH TYR A 39 7.468 4.160 28.103 1.00 0.45 O ATOM 0 H TYR A 39 1.438 0.967 26.422 1.00 0.19 H new ATOM 0 HA TYR A 39 2.890 2.640 24.355 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.423 0.086 25.970 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.285 0.386 24.474 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.307 2.397 27.510 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.380 1.295 24.730 1.00 0.31 H new ATOM 0 HE1 TYR A 39 4.922 3.825 28.738 1.00 0.37 H new ATOM 0 HE2 TYR A 39 7.999 2.721 25.946 1.00 0.36 H new ATOM 0 HH TYR A 39 8.344 4.110 27.666 1.00 0.45 H new ATOM 634 N VAL A 40 2.328 0.965 22.482 1.00 0.21 N ATOM 635 CA VAL A 40 1.758 0.077 21.427 1.00 0.22 C ATOM 636 C VAL A 40 2.876 -0.562 20.599 1.00 0.22 C ATOM 637 O VAL A 40 3.655 0.118 19.961 1.00 0.23 O ATOM 638 CB VAL A 40 0.901 0.992 20.554 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.380 0.204 19.350 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.283 1.507 21.375 1.00 0.27 C ATOM 0 H VAL A 40 3.065 1.598 22.172 1.00 0.21 H new ATOM 0 HA VAL A 40 1.177 -0.741 21.854 1.00 0.22 H new ATOM 0 HB VAL A 40 1.500 1.834 20.206 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.232 0.855 18.726 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.222 -0.170 18.768 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.222 -0.636 19.698 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.898 2.161 20.756 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.882 0.664 21.718 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.086 2.064 22.236 1.00 0.27 H new ATOM 650 N ASP A 41 2.945 -1.867 20.580 1.00 0.21 N ATOM 651 CA ASP A 41 3.990 -2.546 19.760 1.00 0.22 C ATOM 652 C ASP A 41 3.476 -3.893 19.242 1.00 0.25 C ATOM 653 O ASP A 41 2.617 -4.503 19.836 1.00 0.27 O ATOM 654 CB ASP A 41 5.171 -2.751 20.711 1.00 0.20 C ATOM 655 CG ASP A 41 4.793 -3.757 21.797 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.623 -4.094 21.886 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.680 -4.178 22.521 1.00 1.69 O ATOM 0 H ASP A 41 2.324 -2.491 21.096 1.00 0.21 H new ATOM 0 HA ASP A 41 4.268 -1.959 18.884 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.038 -3.110 20.156 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.453 -1.801 21.165 1.00 0.20 H new ATOM 662 N ASP A 42 4.096 -4.424 18.227 1.00 0.27 N ATOM 663 CA ASP A 42 3.760 -5.808 17.776 1.00 0.33 C ATOM 664 C ASP A 42 2.244 -6.049 17.782 1.00 0.33 C ATOM 665 O ASP A 42 1.786 -7.137 18.066 1.00 0.37 O ATOM 666 CB ASP A 42 4.452 -6.719 18.785 1.00 0.38 C ATOM 667 CG ASP A 42 4.162 -8.182 18.440 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.610 -8.421 17.379 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.498 -9.038 19.242 1.00 1.14 O ATOM 0 H ASP A 42 4.825 -3.959 17.686 1.00 0.27 H new ATOM 0 HA ASP A 42 4.087 -5.990 16.752 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.527 -6.539 18.775 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.101 -6.496 19.792 1.00 0.38 H new ATOM 674 N GLU A 43 1.468 -5.079 17.381 1.00 0.30 N ATOM 675 CA GLU A 43 -0.005 -5.304 17.263 1.00 0.31 C ATOM 676 C GLU A 43 -0.596 -5.718 18.614 1.00 0.30 C ATOM 677 O GLU A 43 -1.744 -6.100 18.709 1.00 0.31 O ATOM 678 CB GLU A 43 -0.150 -6.434 16.242 1.00 0.35 C ATOM 679 CG GLU A 43 -1.628 -6.624 15.890 1.00 1.17 C ATOM 680 CD GLU A 43 -1.778 -7.813 14.940 1.00 1.34 C ATOM 681 OE1 GLU A 43 -0.771 -8.430 14.631 1.00 1.93 O ATOM 682 OE2 GLU A 43 -2.896 -8.087 14.537 1.00 1.68 O ATOM 0 H GLU A 43 1.787 -4.143 17.130 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.535 -4.403 16.955 1.00 0.31 H new ATOM 0 HB2 GLU A 43 0.421 -6.201 15.343 1.00 0.35 H new ATOM 0 HB3 GLU A 43 0.259 -7.359 16.648 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.210 -6.793 16.796 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.021 -5.721 15.423 1.00 1.17 H new ATOM 689 N LYS A 44 0.145 -5.543 19.670 1.00 0.29 N ATOM 690 CA LYS A 44 -0.412 -5.814 21.026 1.00 0.30 C ATOM 691 C LYS A 44 -0.191 -4.597 21.927 1.00 0.27 C ATOM 692 O LYS A 44 0.513 -3.672 21.572 1.00 0.26 O ATOM 693 CB LYS A 44 0.362 -7.026 21.553 1.00 0.34 C ATOM 694 CG LYS A 44 1.810 -6.628 21.846 1.00 1.29 C ATOM 695 CD LYS A 44 2.598 -7.862 22.292 1.00 1.23 C ATOM 696 CE LYS A 44 3.938 -7.425 22.887 1.00 1.90 C ATOM 697 NZ LYS A 44 4.941 -8.359 22.303 1.00 2.01 N ATOM 0 H LYS A 44 1.114 -5.224 19.655 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.484 -6.009 21.002 1.00 0.30 H new ATOM 0 HB2 LYS A 44 -0.111 -7.405 22.459 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.338 -7.832 20.819 1.00 0.34 H new ATOM 0 HG2 LYS A 44 2.266 -6.194 20.956 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.838 -5.865 22.623 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.026 -8.424 23.030 1.00 1.23 H new ATOM 0 HD3 LYS A 44 2.764 -8.526 21.444 1.00 1.23 H new ATOM 0 HE2 LYS A 44 4.165 -6.390 22.630 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.926 -7.488 23.975 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 5.900 -8.014 22.512 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 4.816 -9.305 22.716 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 4.808 -8.411 21.273 1.00 2.01 H new ATOM 711 N ILE A 45 -0.849 -4.550 23.051 1.00 0.28 N ATOM 712 CA ILE A 45 -0.743 -3.347 23.923 1.00 0.27 C ATOM 713 C ILE A 45 0.278 -3.585 25.038 1.00 0.27 C ATOM 714 O ILE A 45 0.262 -4.605 25.699 1.00 0.29 O ATOM 715 CB ILE A 45 -2.141 -3.165 24.507 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.155 -3.050 23.367 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.181 -1.890 25.353 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.571 -3.155 23.931 1.00 1.25 C ATOM 0 H ILE A 45 -1.455 -5.291 23.403 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.409 -2.466 23.374 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.388 -4.023 25.132 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.028 -2.100 22.848 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.985 -3.839 22.634 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.180 -1.761 25.770 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.457 -1.969 26.164 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.935 -1.031 24.729 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.293 -3.073 23.119 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.694 -4.116 24.430 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.738 -2.351 24.647 1.00 1.25 H new ATOM 730 N ILE A 46 1.137 -2.631 25.272 1.00 0.26 N ATOM 731 CA ILE A 46 2.139 -2.764 26.369 1.00 0.29 C ATOM 732 C ILE A 46 1.859 -1.728 27.461 1.00 0.29 C ATOM 733 O ILE A 46 1.876 -0.542 27.218 1.00 0.31 O ATOM 734 CB ILE A 46 3.490 -2.490 25.695 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.725 -3.513 24.582 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.618 -2.580 26.727 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.405 -4.915 25.098 1.00 0.50 C ATOM 0 H ILE A 46 1.188 -1.758 24.747 1.00 0.26 H new ATOM 0 HA ILE A 46 2.112 -3.743 26.847 1.00 0.29 H new ATOM 0 HB ILE A 46 3.479 -1.487 25.268 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.098 -3.279 23.721 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.760 -3.466 24.244 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.573 -2.384 26.240 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.453 -1.842 27.512 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.632 -3.578 27.165 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.573 -5.642 24.304 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.051 -5.147 25.945 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.363 -4.957 25.414 1.00 0.50 H new ATOM 749 N LEU A 47 1.604 -2.163 28.664 1.00 0.28 N ATOM 750 CA LEU A 47 1.331 -1.188 29.760 1.00 0.29 C ATOM 751 C LEU A 47 2.418 -1.278 30.830 1.00 0.31 C ATOM 752 O LEU A 47 2.822 -2.353 31.228 1.00 0.39 O ATOM 753 CB LEU A 47 -0.019 -1.596 30.342 1.00 0.34 C ATOM 754 CG LEU A 47 -1.086 -1.551 29.245 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.968 -2.795 28.362 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.474 -1.513 29.887 1.00 1.24 C ATOM 0 H LEU A 47 1.573 -3.146 28.936 1.00 0.28 H new ATOM 0 HA LEU A 47 1.321 -0.161 29.396 1.00 0.29 H new ATOM 0 HB2 LEU A 47 0.043 -2.600 30.762 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.292 -0.926 31.157 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.941 -0.659 28.635 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.728 -2.761 27.582 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.021 -2.824 27.904 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.112 -3.688 28.970 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.235 -1.481 29.107 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.617 -2.405 30.497 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.560 -0.626 30.515 1.00 1.24 H new ATOM 768 N LYS A 48 2.900 -0.161 31.294 1.00 0.29 N ATOM 769 CA LYS A 48 3.972 -0.183 32.331 1.00 0.35 C ATOM 770 C LYS A 48 3.744 0.929 33.356 1.00 0.28 C ATOM 771 O LYS A 48 3.093 1.916 33.077 1.00 0.25 O ATOM 772 CB LYS A 48 5.272 0.055 31.563 1.00 0.47 C ATOM 773 CG LYS A 48 5.197 1.394 30.826 1.00 0.65 C ATOM 774 CD LYS A 48 6.501 1.626 30.061 1.00 0.85 C ATOM 775 CE LYS A 48 6.568 0.671 28.866 1.00 1.54 C ATOM 776 NZ LYS A 48 8.012 0.609 28.508 1.00 1.74 N ATOM 0 H LYS A 48 2.599 0.769 31.001 1.00 0.29 H new ATOM 0 HA LYS A 48 3.990 -1.123 32.883 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.118 0.054 32.251 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.439 -0.754 30.852 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.353 1.395 30.137 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.030 2.204 31.536 1.00 0.65 H new ATOM 0 HD2 LYS A 48 6.555 2.659 29.718 1.00 0.85 H new ATOM 0 HD3 LYS A 48 7.355 1.463 30.719 1.00 0.85 H new ATOM 0 HE2 LYS A 48 6.182 -0.315 29.126 1.00 1.54 H new ATOM 0 HE3 LYS A 48 5.969 1.038 28.032 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.298 -0.384 28.391 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 8.171 1.122 27.618 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.576 1.045 29.265 1.00 1.74 H new ATOM 790 N LYS A 49 4.306 0.801 34.526 1.00 0.28 N ATOM 791 CA LYS A 49 4.154 1.881 35.542 1.00 0.25 C ATOM 792 C LYS A 49 4.694 3.198 34.987 1.00 0.22 C ATOM 793 O LYS A 49 5.590 3.217 34.167 1.00 0.24 O ATOM 794 CB LYS A 49 4.981 1.426 36.741 1.00 0.29 C ATOM 795 CG LYS A 49 4.818 2.429 37.886 1.00 0.30 C ATOM 796 CD LYS A 49 5.696 2.005 39.065 1.00 0.54 C ATOM 797 CE LYS A 49 5.421 2.918 40.262 1.00 1.08 C ATOM 798 NZ LYS A 49 6.654 3.741 40.410 1.00 1.65 N ATOM 0 H LYS A 49 4.862 -0.001 34.822 1.00 0.28 H new ATOM 0 HA LYS A 49 3.112 2.049 35.813 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.659 0.436 37.063 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.031 1.345 36.462 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.098 3.428 37.551 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.774 2.477 38.195 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.490 0.968 39.331 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.748 2.060 38.787 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.547 3.545 40.088 1.00 1.08 H new ATOM 0 HE3 LYS A 49 5.223 2.338 41.163 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.542 4.393 41.212 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.469 3.118 40.582 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 6.813 4.287 39.539 1.00 1.65 H new ATOM 812 N TYR A 50 4.102 4.292 35.367 1.00 0.20 N ATOM 813 CA TYR A 50 4.522 5.600 34.791 1.00 0.21 C ATOM 814 C TYR A 50 5.367 6.385 35.797 1.00 0.22 C ATOM 815 O TYR A 50 4.887 6.802 36.833 1.00 0.22 O ATOM 816 CB TYR A 50 3.215 6.337 34.500 1.00 0.20 C ATOM 817 CG TYR A 50 3.522 7.689 33.902 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.625 7.847 33.056 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.706 8.785 34.201 1.00 0.24 C ATOM 820 CE1 TYR A 50 4.910 9.101 32.507 1.00 0.30 C ATOM 821 CE2 TYR A 50 2.991 10.041 33.654 1.00 0.28 C ATOM 822 CZ TYR A 50 4.093 10.199 32.806 1.00 0.30 C ATOM 823 OH TYR A 50 4.377 11.437 32.266 1.00 0.35 O ATOM 0 H TYR A 50 3.346 4.339 36.050 1.00 0.20 H new ATOM 0 HA TYR A 50 5.134 5.477 33.898 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.602 5.754 33.813 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.640 6.456 35.418 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.256 7.001 32.827 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.855 8.662 34.855 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.760 9.223 31.852 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.361 10.887 33.886 1.00 0.28 H new ATOM 0 HH TYR A 50 3.712 12.088 32.573 1.00 0.35 H new ATOM 995 N VAL B 9 -0.573 8.389 28.746 1.00 0.32 N ATOM 996 CA VAL B 9 -0.766 7.869 30.132 1.00 0.29 C ATOM 997 C VAL B 9 -2.210 8.077 30.594 1.00 0.32 C ATOM 998 O VAL B 9 -2.836 9.075 30.295 1.00 0.37 O ATOM 999 CB VAL B 9 0.200 8.673 31.001 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.027 8.268 32.466 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.638 8.382 30.564 1.00 0.30 C ATOM 0 HA VAL B 9 -0.573 6.798 30.193 1.00 0.29 H new ATOM 0 HB VAL B 9 -0.010 9.737 30.889 1.00 0.30 H new ATOM 0 HG11 VAL B 9 0.716 8.842 33.086 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.997 8.469 32.781 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.239 7.204 32.577 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.329 8.955 31.183 1.00 0.30 H new ATOM 0 HG22 VAL B 9 1.845 7.318 30.678 1.00 0.30 H new ATOM 0 HG23 VAL B 9 1.765 8.666 29.519 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.733 7.143 31.341 1.00 0.31 N ATOM 1012 CA ARG B 10 -4.126 7.277 31.854 1.00 0.36 C ATOM 1013 C ARG B 10 -4.139 7.114 33.377 1.00 0.31 C ATOM 1014 O ARG B 10 -3.240 6.536 33.954 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.906 6.144 31.188 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.387 6.254 31.558 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.007 7.451 30.835 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.418 7.499 31.310 1.00 1.14 N ATOM 1019 CZ ARG B 10 -9.161 8.542 31.056 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.672 9.551 30.387 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.397 8.577 31.474 1.00 1.92 N ATOM 0 H ARG B 10 -2.252 6.288 31.619 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.558 8.252 31.631 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.786 6.194 30.106 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.511 5.180 31.508 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.910 5.338 31.282 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.496 6.371 32.636 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.478 8.374 31.074 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.959 7.327 29.753 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.805 6.715 31.835 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.706 9.526 30.061 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -9.256 10.364 30.191 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.781 7.790 31.998 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.979 9.391 31.277 1.00 1.92 H new ATOM 1035 N LYS B 11 -5.143 7.624 34.033 1.00 0.33 N ATOM 1036 CA LYS B 11 -5.204 7.500 35.518 1.00 0.30 C ATOM 1037 C LYS B 11 -5.780 6.136 35.911 1.00 0.26 C ATOM 1038 O LYS B 11 -6.673 5.620 35.269 1.00 0.28 O ATOM 1039 CB LYS B 11 -6.134 8.626 35.971 1.00 0.34 C ATOM 1040 CG LYS B 11 -6.061 8.773 37.492 1.00 1.03 C ATOM 1041 CD LYS B 11 -7.038 9.860 37.945 1.00 1.03 C ATOM 1042 CE LYS B 11 -6.820 10.159 39.429 1.00 1.81 C ATOM 1043 NZ LYS B 11 -5.739 11.185 39.461 1.00 2.21 N ATOM 0 H LYS B 11 -5.925 8.122 33.606 1.00 0.33 H new ATOM 0 HA LYS B 11 -4.220 7.574 35.980 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.848 9.562 35.491 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -7.158 8.411 35.665 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -6.306 7.826 37.972 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -5.046 9.031 37.795 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.890 10.765 37.356 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -8.064 9.534 37.776 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -7.732 10.532 39.895 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -6.528 9.261 39.974 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -5.277 11.174 40.393 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -5.037 10.972 38.724 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -6.148 12.126 39.288 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.286 5.555 36.972 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.820 4.234 37.415 1.00 0.22 C ATOM 1059 C VAL B 12 -7.123 4.436 38.190 1.00 0.20 C ATOM 1060 O VAL B 12 -7.177 5.196 39.135 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.749 3.655 38.341 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.077 2.191 38.644 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.375 3.738 37.674 1.00 0.29 C ATOM 0 H VAL B 12 -4.537 5.937 37.550 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.033 3.575 36.574 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.731 4.230 39.267 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.315 1.776 39.304 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.051 2.129 39.130 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.099 1.623 37.714 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.620 3.323 38.342 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.387 3.170 36.744 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.137 4.780 37.460 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.171 3.760 37.809 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.456 3.925 38.540 1.00 0.21 C ATOM 1075 C ASP B 13 -9.503 2.978 39.746 1.00 0.22 C ATOM 1076 O ASP B 13 -8.508 2.398 40.128 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.551 3.600 37.512 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.891 2.108 37.545 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.205 1.342 36.891 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.834 1.753 38.229 1.00 0.55 O ATOM 0 H ASP B 13 -8.193 3.105 37.028 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.585 4.931 38.940 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.444 4.187 37.725 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.216 3.881 36.514 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.614 2.930 40.430 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.672 2.158 41.706 1.00 0.26 C ATOM 1087 C GLU B 14 -10.266 0.693 41.499 1.00 0.26 C ATOM 1088 O GLU B 14 -9.682 0.080 42.371 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.131 2.248 42.152 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.484 3.705 42.458 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.923 3.785 42.972 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.610 2.778 42.911 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -14.314 4.850 43.417 1.00 1.99 O ATOM 0 H GLU B 14 -11.483 3.391 40.162 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.981 2.560 42.447 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.785 1.861 41.371 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.290 1.631 43.036 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.798 4.108 43.203 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.373 4.313 41.560 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.670 0.089 40.416 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.411 -1.373 40.249 1.00 0.25 C ATOM 1102 C LEU B 15 -9.012 -1.637 39.678 1.00 0.23 C ATOM 1103 O LEU B 15 -8.599 -2.771 39.541 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.482 -1.866 39.277 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.224 -3.337 38.945 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -10.970 -4.119 40.238 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.447 -3.919 38.231 1.00 1.39 C ATOM 0 H LEU B 15 -11.164 0.537 39.644 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.451 -1.890 41.208 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.472 -1.749 39.718 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.466 -1.267 38.366 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.351 -3.414 38.297 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.786 -5.167 40.000 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.100 -3.705 40.749 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.842 -4.042 40.887 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.265 -4.967 37.994 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.319 -3.840 38.880 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.629 -3.365 37.310 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.293 -0.618 39.301 1.00 0.21 N ATOM 1120 CA GLY B 16 -6.949 -0.854 38.696 1.00 0.20 C ATOM 1121 C GLY B 16 -7.113 -1.245 37.225 1.00 0.21 C ATOM 1122 O GLY B 16 -6.564 -2.230 36.763 1.00 0.21 O ATOM 0 H GLY B 16 -8.572 0.360 39.383 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.338 0.045 38.778 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.428 -1.644 39.237 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.907 -0.514 36.495 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.153 -0.877 35.072 1.00 0.27 C ATOM 1128 C ARG B 17 -7.583 0.205 34.150 1.00 0.26 C ATOM 1129 O ARG B 17 -7.444 1.350 34.529 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.675 -0.953 34.945 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.195 -2.130 35.774 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.709 -2.252 35.599 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.274 -1.074 36.309 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.542 -1.050 36.629 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.323 -2.041 36.292 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.033 -0.035 37.287 1.00 1.14 N ATOM 0 H ARG B 17 -8.396 0.319 36.822 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.676 -1.816 34.790 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.127 -0.023 35.290 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.958 -1.077 33.900 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.707 -3.053 35.460 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.951 -1.983 36.826 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -11.986 -2.248 34.545 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.082 -3.185 36.023 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.673 -0.285 36.546 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.945 -2.837 35.778 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.311 -2.019 36.543 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.427 0.742 37.553 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.022 -0.019 37.535 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.241 -0.156 32.944 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.665 0.843 32.000 1.00 0.26 C ATOM 1152 C VAL B 18 -7.491 0.879 30.714 1.00 0.24 C ATOM 1153 O VAL B 18 -8.186 -0.063 30.390 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.248 0.346 31.714 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.482 0.201 33.029 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.318 -1.013 31.013 1.00 0.26 C ATOM 0 H VAL B 18 -7.336 -1.101 32.571 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.665 1.853 32.410 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.734 1.062 31.072 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.472 -0.153 32.824 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.433 1.168 33.530 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -4.994 -0.515 33.672 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.308 -1.369 30.808 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.832 -1.728 31.656 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.864 -0.911 30.075 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.492 1.987 30.027 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.363 2.108 28.824 1.00 0.22 C ATOM 1168 C VAL B 19 -7.518 2.220 27.555 1.00 0.22 C ATOM 1169 O VAL B 19 -6.629 3.044 27.461 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.158 3.394 29.048 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.265 3.503 27.997 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.778 3.372 30.446 1.00 0.24 C ATOM 0 H VAL B 19 -6.931 2.810 30.245 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.007 1.238 28.695 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.492 4.252 28.960 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.831 4.421 28.158 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.821 3.521 27.002 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -10.933 2.646 28.081 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.345 4.289 30.607 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.443 2.513 30.536 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -8.988 3.298 31.193 1.00 0.24 H new ATOM 1182 N ILE B 20 -7.861 1.477 26.539 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.159 1.634 25.235 1.00 0.24 C ATOM 1184 C ILE B 20 -7.784 2.795 24.455 1.00 0.24 C ATOM 1185 O ILE B 20 -8.986 2.886 24.352 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.380 0.296 24.515 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.281 -0.686 24.924 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.336 0.495 22.995 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.354 -0.935 26.432 1.00 1.38 C ATOM 0 H ILE B 20 -8.596 0.769 26.556 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.098 1.861 25.341 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.357 -0.098 24.794 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.398 -1.625 24.384 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.303 -0.285 24.658 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.494 -0.462 22.498 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.119 1.193 22.697 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.364 0.896 22.709 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -5.571 -1.635 26.724 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.215 0.007 26.963 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.328 -1.354 26.685 1.00 1.38 H new ATOM 1201 N PRO B 21 -6.944 3.608 23.876 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.435 4.726 23.033 1.00 0.30 C ATOM 1203 C PRO B 21 -8.285 4.177 21.882 1.00 0.28 C ATOM 1204 O PRO B 21 -8.002 3.129 21.339 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.162 5.391 22.504 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.043 4.442 22.809 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.485 3.567 23.950 1.00 0.32 C ATOM 0 HA PRO B 21 -8.065 5.427 23.580 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.235 5.577 21.432 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.997 6.356 22.984 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.804 3.838 21.934 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.139 4.989 23.075 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.108 2.550 23.844 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.122 3.943 24.907 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.352 4.845 21.541 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.243 4.316 20.467 1.00 0.30 C ATOM 1217 C ILE B 22 -9.449 4.085 19.181 1.00 0.33 C ATOM 1218 O ILE B 22 -9.735 3.183 18.419 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.305 5.398 20.262 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.482 4.813 19.477 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.705 6.570 19.481 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -12.019 4.420 18.073 1.00 1.11 C ATOM 0 H ILE B 22 -9.646 5.729 21.956 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.687 3.358 20.736 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.652 5.752 21.233 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.881 3.942 19.996 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -13.289 5.543 19.414 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.465 7.338 19.337 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.867 6.988 20.039 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.355 6.219 18.510 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -12.859 4.004 17.516 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -11.641 5.301 17.555 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -11.227 3.675 18.146 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.433 4.866 18.945 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.610 4.654 17.722 1.00 0.40 C ATOM 1236 C GLU B 23 -7.030 3.237 17.729 1.00 0.37 C ATOM 1237 O GLU B 23 -6.952 2.579 16.711 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.491 5.692 17.812 1.00 0.44 C ATOM 1239 CG GLU B 23 -7.091 7.097 17.744 1.00 1.22 C ATOM 1240 CD GLU B 23 -5.967 8.134 17.768 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.834 7.745 18.000 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -6.258 9.300 17.554 1.00 2.00 O ATOM 0 H GLU B 23 -8.138 5.638 19.542 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.189 4.762 16.805 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -5.938 5.566 18.743 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.781 5.548 16.997 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -7.683 7.208 16.835 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -7.766 7.257 18.585 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.678 2.745 18.886 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.170 1.348 18.985 1.00 0.33 C ATOM 1251 C LEU B 24 -7.333 0.356 18.986 1.00 0.29 C ATOM 1252 O LEU B 24 -7.221 -0.739 18.471 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.405 1.293 20.305 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.214 2.251 20.243 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.353 2.079 21.495 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.375 1.939 19.002 1.00 1.75 C ATOM 0 H LEU B 24 -6.721 3.253 19.770 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.535 1.081 18.140 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.062 1.566 21.131 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.059 0.277 20.495 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.576 3.278 20.190 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.505 2.762 21.450 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -3.950 2.300 22.380 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -2.990 1.053 21.549 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.526 2.621 18.956 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.013 0.912 19.056 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.987 2.062 18.109 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.474 0.748 19.488 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.649 -0.164 19.421 1.00 0.23 C ATOM 1270 C ARG B 25 -9.910 -0.534 17.962 1.00 0.26 C ATOM 1271 O ARG B 25 -10.200 -1.667 17.637 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.836 0.638 19.966 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.577 1.081 21.408 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.852 1.728 21.962 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.407 2.558 23.114 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.161 3.528 23.555 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.315 3.771 22.994 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.761 4.257 24.560 1.00 0.27 N ATOM 0 H ARG B 25 -8.641 1.649 19.936 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.489 -1.080 19.989 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.009 1.512 19.338 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.740 0.031 19.924 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.291 0.226 22.020 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.749 1.789 21.443 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.343 2.339 21.205 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.571 0.972 22.277 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.510 2.368 23.561 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.630 3.202 22.208 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -13.901 4.530 23.342 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -10.860 4.069 25.000 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.349 5.015 24.906 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.853 0.432 17.085 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.145 0.156 15.650 1.00 0.33 C ATOM 1294 C ARG B 26 -9.002 -0.635 15.007 1.00 0.35 C ATOM 1295 O ARG B 26 -9.219 -1.624 14.338 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.269 1.537 15.004 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.698 1.380 13.544 1.00 1.07 C ATOM 1298 CD ARG B 26 -10.769 2.758 12.882 1.00 1.25 C ATOM 1299 NE ARG B 26 -11.312 2.502 11.518 1.00 1.86 N ATOM 1300 CZ ARG B 26 -11.360 3.467 10.640 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -10.934 4.662 10.951 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -11.837 3.237 9.447 1.00 3.27 N ATOM 0 H ARG B 26 -9.617 1.400 17.301 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.047 -0.443 15.523 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -10.998 2.140 15.546 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.316 2.063 15.060 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -9.989 0.745 13.012 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.669 0.888 13.490 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -11.415 3.433 13.444 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -9.785 3.224 12.834 1.00 1.25 H new ATOM 0 HE ARG B 26 -11.647 1.571 11.270 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -10.562 4.844 11.883 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -10.973 5.413 10.262 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -12.171 2.305 9.202 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -11.876 3.989 8.759 1.00 3.27 H new ATOM 1316 N THR B 27 -7.791 -0.178 15.169 1.00 0.37 N ATOM 1317 CA THR B 27 -6.636 -0.869 14.523 1.00 0.41 C ATOM 1318 C THR B 27 -6.476 -2.292 15.069 1.00 0.39 C ATOM 1319 O THR B 27 -5.990 -3.173 14.390 1.00 0.42 O ATOM 1320 CB THR B 27 -5.416 -0.018 14.877 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.640 1.322 14.458 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.180 -0.575 14.171 1.00 0.77 C ATOM 0 H THR B 27 -7.550 0.645 15.721 1.00 0.37 H new ATOM 0 HA THR B 27 -6.772 -0.965 13.446 1.00 0.41 H new ATOM 0 HB THR B 27 -5.256 -0.041 15.955 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.044 1.831 15.191 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.311 0.033 14.424 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.010 -1.603 14.492 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.336 -0.553 13.092 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.817 -2.510 16.309 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.613 -3.861 16.907 1.00 0.35 C ATOM 1332 C LEU B 28 -7.824 -4.764 16.634 1.00 0.33 C ATOM 1333 O LEU B 28 -7.813 -5.937 16.947 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.452 -3.611 18.407 1.00 0.33 C ATOM 1335 CG LEU B 28 -5.922 -4.878 19.080 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.459 -5.094 18.683 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.020 -4.724 20.600 1.00 1.05 C ATOM 0 H LEU B 28 -7.227 -1.815 16.933 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.747 -4.369 16.483 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.765 -2.782 18.577 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.409 -3.327 18.844 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.515 -5.735 18.761 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.081 -5.997 19.163 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.388 -5.201 17.601 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -3.865 -4.238 19.003 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.643 -5.626 21.082 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.426 -3.867 20.918 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.061 -4.569 20.884 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.856 -4.236 16.033 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.044 -5.082 15.719 1.00 0.32 C ATOM 1351 C GLY B 29 -10.730 -5.505 17.018 1.00 0.29 C ATOM 1352 O GLY B 29 -11.152 -6.634 17.170 1.00 0.29 O ATOM 0 H GLY B 29 -8.928 -3.260 15.747 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.742 -4.528 15.091 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.737 -5.962 15.155 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.832 -4.613 17.963 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.477 -4.972 19.258 1.00 0.24 C ATOM 1358 C ILE B 30 -12.746 -4.144 19.475 1.00 0.23 C ATOM 1359 O ILE B 30 -12.803 -2.972 19.160 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.438 -4.650 20.329 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.165 -5.455 20.059 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -10.992 -5.021 21.706 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.528 -6.928 19.856 1.00 0.30 C ATOM 0 H ILE B 30 -10.497 -3.652 17.896 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.777 -6.020 19.285 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.209 -3.585 20.305 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.658 -5.069 19.175 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.472 -5.352 20.894 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.250 -4.791 22.471 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.900 -4.450 21.899 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.221 -6.086 21.731 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.622 -7.503 19.664 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.016 -7.309 20.753 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.205 -7.022 19.007 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.775 -4.766 19.973 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.067 -4.054 20.176 1.00 0.23 C ATOM 1377 C ALA B 31 -15.722 -4.516 21.481 1.00 0.20 C ATOM 1378 O ALA B 31 -15.330 -5.505 22.067 1.00 0.19 O ATOM 1379 CB ALA B 31 -15.930 -4.452 18.980 1.00 0.23 C ATOM 0 H ALA B 31 -13.777 -5.747 20.251 1.00 0.22 H new ATOM 0 HA ALA B 31 -14.937 -2.974 20.246 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -16.903 -3.966 19.056 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.440 -4.140 18.058 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.064 -5.534 18.972 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.714 -3.807 21.942 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.386 -4.206 23.211 1.00 0.21 C ATOM 1387 C GLU B 32 -17.839 -5.669 23.142 1.00 0.19 C ATOM 1388 O GLU B 32 -18.255 -6.151 22.109 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.596 -3.279 23.323 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.298 -3.516 24.661 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.573 -2.672 24.726 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.844 -1.970 23.765 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.257 -2.743 25.733 1.00 1.13 O ATOM 0 H GLU B 32 -17.089 -2.970 21.496 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.721 -4.122 24.071 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.279 -2.239 23.246 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.287 -3.464 22.500 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.542 -4.572 24.773 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.633 -3.253 25.484 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.812 -6.355 24.257 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.296 -7.770 24.310 1.00 0.20 C ATOM 1402 C LYS B 33 -17.291 -8.726 23.658 1.00 0.18 C ATOM 1403 O LYS B 33 -17.419 -9.930 23.761 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.625 -7.785 23.549 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.408 -9.045 23.922 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.709 -9.096 23.117 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.565 -10.268 23.603 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.960 -9.905 23.229 1.00 1.88 N ATOM 0 H LYS B 33 -17.470 -5.990 25.146 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.416 -8.106 25.340 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.207 -6.896 23.793 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.442 -7.761 22.475 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.808 -9.932 23.719 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.628 -9.046 24.989 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.256 -8.160 23.231 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.488 -9.209 22.056 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -22.260 -11.202 23.131 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -22.468 -10.408 24.680 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.608 -10.661 23.530 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -24.225 -9.015 23.698 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -24.023 -9.785 22.198 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.240 -8.213 23.080 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.181 -9.117 22.539 1.00 0.16 C ATOM 1424 C ASP B 34 -14.322 -9.660 23.682 1.00 0.19 C ATOM 1425 O ASP B 34 -14.447 -9.239 24.814 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.349 -8.250 21.601 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.137 -7.998 20.316 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.193 -8.589 20.164 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.668 -7.221 19.506 1.00 1.09 O ATOM 0 H ASP B 34 -16.067 -7.215 22.958 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.600 -9.978 22.019 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.104 -7.303 22.083 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.405 -8.744 21.372 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.513 -10.648 23.413 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.720 -11.275 24.509 1.00 0.28 C ATOM 1436 C ALA B 35 -11.248 -10.856 24.426 1.00 0.20 C ATOM 1437 O ALA B 35 -10.610 -10.984 23.399 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.861 -12.780 24.280 1.00 0.36 C ATOM 0 H ALA B 35 -13.367 -11.047 22.486 1.00 0.22 H new ATOM 0 HA ALA B 35 -13.073 -10.970 25.494 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.304 -13.318 25.047 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.913 -13.059 24.332 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.466 -13.037 23.297 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.685 -10.439 25.527 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.231 -10.110 25.553 1.00 0.21 C ATOM 1446 C LEU B 36 -8.479 -11.170 26.358 1.00 0.19 C ATOM 1447 O LEU B 36 -8.925 -11.577 27.409 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.141 -8.764 26.271 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.140 -7.780 25.665 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.374 -6.641 26.655 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.573 -7.217 24.359 1.00 0.56 C ATOM 0 H LEU B 36 -11.172 -10.311 26.414 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.798 -10.076 24.553 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.346 -8.895 27.333 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.130 -8.365 26.188 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.082 -8.288 25.457 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.086 -5.932 26.232 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.772 -7.044 27.586 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.431 -6.133 26.854 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.285 -6.515 23.926 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.634 -6.702 24.562 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.396 -8.033 23.658 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.283 -11.508 25.966 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.464 -12.405 26.828 1.00 0.20 C ATOM 1465 C GLU B 37 -5.311 -11.614 27.448 1.00 0.18 C ATOM 1466 O GLU B 37 -4.781 -10.700 26.849 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.949 -13.505 25.900 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.191 -14.553 26.718 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.614 -15.616 25.780 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.792 -15.478 24.581 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -4.004 -16.547 26.278 1.00 1.17 O ATOM 0 H GLU B 37 -6.841 -11.207 25.097 1.00 0.18 H new ATOM 0 HA GLU B 37 -7.036 -12.828 27.654 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.782 -13.972 25.375 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.294 -13.077 25.141 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.389 -14.078 27.283 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.860 -15.017 27.443 1.00 0.26 H new ATOM 1478 N ILE B 38 -5.035 -11.855 28.698 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.055 -11.004 29.425 1.00 0.20 C ATOM 1480 C ILE B 38 -2.771 -11.783 29.702 1.00 0.19 C ATOM 1481 O ILE B 38 -2.800 -12.923 30.135 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.750 -10.633 30.735 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.080 -9.942 30.427 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.857 -9.685 31.537 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.834 -9.683 31.732 1.00 0.84 C ATOM 0 H ILE B 38 -5.448 -12.608 29.249 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.769 -10.124 28.849 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.934 -11.536 31.317 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.901 -9.002 29.905 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.681 -10.565 29.765 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.353 -9.421 32.471 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.909 -10.176 31.756 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.672 -8.781 30.956 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.782 -9.191 31.513 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -7.025 -10.630 32.236 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.233 -9.043 32.378 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.652 -11.172 29.431 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.337 -11.839 29.633 1.00 0.20 C ATOM 1499 C TYR B 39 0.488 -11.066 30.667 1.00 0.20 C ATOM 1500 O TYR B 39 0.308 -9.879 30.846 1.00 0.19 O ATOM 1501 CB TYR B 39 0.346 -11.750 28.271 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.176 -12.814 27.346 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.535 -12.861 27.019 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.710 -13.745 26.799 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -2.008 -13.842 26.141 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.240 -14.728 25.925 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.120 -14.777 25.594 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.583 -15.745 24.726 1.00 0.45 O ATOM 0 H TYR B 39 -1.593 -10.219 29.071 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.441 -12.863 29.991 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.174 -10.766 27.836 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.424 -11.861 28.391 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.218 -12.141 27.444 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.759 -13.705 27.052 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -3.057 -13.878 25.885 1.00 0.37 H new ATOM 0 HE2 TYR B 39 0.925 -15.450 25.505 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.836 -16.311 24.439 1.00 0.45 H new ATOM 1518 N VAL B 40 1.483 -11.685 31.238 1.00 0.21 N ATOM 1519 CA VAL B 40 2.413 -10.922 32.120 1.00 0.21 C ATOM 1520 C VAL B 40 3.868 -11.259 31.783 1.00 0.21 C ATOM 1521 O VAL B 40 4.294 -12.391 31.891 1.00 0.23 O ATOM 1522 CB VAL B 40 2.071 -11.369 33.539 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.066 -10.747 34.521 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.657 -10.903 33.888 1.00 0.26 C ATOM 0 H VAL B 40 1.693 -12.678 31.134 1.00 0.21 H new ATOM 0 HA VAL B 40 2.305 -9.845 31.996 1.00 0.21 H new ATOM 0 HB VAL B 40 2.126 -12.456 33.603 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.824 -11.065 35.535 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.076 -11.072 34.271 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.008 -9.660 34.458 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.409 -11.220 34.901 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.606 -9.816 33.826 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.054 -11.340 33.187 1.00 0.26 H new ATOM 1534 N ASP B 41 4.647 -10.276 31.415 1.00 0.21 N ATOM 1535 CA ASP B 41 6.084 -10.537 31.115 1.00 0.21 C ATOM 1536 C ASP B 41 6.936 -9.310 31.461 1.00 0.24 C ATOM 1537 O ASP B 41 6.460 -8.196 31.458 1.00 0.26 O ATOM 1538 CB ASP B 41 6.134 -10.816 29.610 1.00 0.19 C ATOM 1539 CG ASP B 41 5.785 -9.544 28.836 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.345 -8.594 29.462 1.00 1.77 O ATOM 1541 OD2 ASP B 41 5.965 -9.541 27.629 1.00 1.68 O ATOM 0 H ASP B 41 4.350 -9.306 31.310 1.00 0.21 H new ATOM 0 HA ASP B 41 6.478 -11.369 31.698 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.128 -11.163 29.328 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.434 -11.612 29.355 1.00 0.19 H new ATOM 1546 N ASP B 42 8.217 -9.497 31.619 1.00 0.27 N ATOM 1547 CA ASP B 42 9.132 -8.328 31.797 1.00 0.32 C ATOM 1548 C ASP B 42 8.524 -7.276 32.735 1.00 0.32 C ATOM 1549 O ASP B 42 8.721 -6.091 32.555 1.00 0.37 O ATOM 1550 CB ASP B 42 9.300 -7.755 30.389 1.00 0.37 C ATOM 1551 CG ASP B 42 10.210 -6.528 30.441 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.788 -6.286 31.487 1.00 1.21 O ATOM 1553 OD2 ASP B 42 10.314 -5.850 29.431 1.00 1.14 O ATOM 0 H ASP B 42 8.673 -10.409 31.633 1.00 0.27 H new ATOM 0 HA ASP B 42 10.079 -8.621 32.249 1.00 0.32 H new ATOM 0 HB2 ASP B 42 9.726 -8.509 29.727 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.328 -7.482 29.978 1.00 0.37 H new ATOM 1558 N GLU B 43 7.875 -7.696 33.788 1.00 0.29 N ATOM 1559 CA GLU B 43 7.364 -6.710 34.790 1.00 0.30 C ATOM 1560 C GLU B 43 6.403 -5.720 34.127 1.00 0.29 C ATOM 1561 O GLU B 43 5.996 -4.743 34.723 1.00 0.30 O ATOM 1562 CB GLU B 43 8.613 -5.989 35.303 1.00 0.34 C ATOM 1563 CG GLU B 43 8.238 -5.087 36.481 1.00 1.17 C ATOM 1564 CD GLU B 43 9.469 -4.300 36.933 1.00 1.34 C ATOM 1565 OE1 GLU B 43 10.510 -4.462 36.318 1.00 1.92 O ATOM 1566 OE2 GLU B 43 9.350 -3.547 37.885 1.00 1.68 O ATOM 0 H GLU B 43 7.676 -8.674 33.999 1.00 0.29 H new ATOM 0 HA GLU B 43 6.808 -7.191 35.595 1.00 0.30 H new ATOM 0 HB2 GLU B 43 9.363 -6.716 35.613 1.00 0.34 H new ATOM 0 HB3 GLU B 43 9.056 -5.395 34.504 1.00 0.34 H new ATOM 0 HG2 GLU B 43 7.442 -4.402 36.189 1.00 1.17 H new ATOM 0 HG3 GLU B 43 7.855 -5.688 37.305 1.00 1.17 H new ATOM 1573 N LYS B 44 5.956 -6.020 32.940 1.00 0.29 N ATOM 1574 CA LYS B 44 4.926 -5.159 32.292 1.00 0.30 C ATOM 1575 C LYS B 44 3.747 -6.020 31.836 1.00 0.27 C ATOM 1576 O LYS B 44 3.809 -7.234 31.862 1.00 0.26 O ATOM 1577 CB LYS B 44 5.625 -4.517 31.090 1.00 0.34 C ATOM 1578 CG LYS B 44 5.911 -5.580 30.029 1.00 1.29 C ATOM 1579 CD LYS B 44 6.684 -4.950 28.869 1.00 1.23 C ATOM 1580 CE LYS B 44 6.691 -5.909 27.677 1.00 1.90 C ATOM 1581 NZ LYS B 44 8.093 -5.888 27.174 1.00 2.00 N ATOM 0 H LYS B 44 6.259 -6.824 32.390 1.00 0.29 H new ATOM 0 HA LYS B 44 4.532 -4.403 32.971 1.00 0.30 H new ATOM 0 HB2 LYS B 44 4.998 -3.731 30.670 1.00 0.34 H new ATOM 0 HB3 LYS B 44 6.556 -4.047 31.407 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.488 -6.396 30.463 1.00 1.29 H new ATOM 0 HG3 LYS B 44 4.976 -6.008 29.667 1.00 1.29 H new ATOM 0 HD2 LYS B 44 6.225 -4.003 28.584 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.706 -4.729 29.177 1.00 1.23 H new ATOM 0 HE2 LYS B 44 6.394 -6.914 27.977 1.00 1.90 H new ATOM 0 HE3 LYS B 44 5.990 -5.587 26.907 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 8.264 -6.730 26.588 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 8.244 -5.032 26.603 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 8.751 -5.887 27.980 1.00 2.00 H new ATOM 1595 N ILE B 45 2.648 -5.409 31.498 1.00 0.28 N ATOM 1596 CA ILE B 45 1.440 -6.202 31.134 1.00 0.26 C ATOM 1597 C ILE B 45 1.319 -6.322 29.613 1.00 0.26 C ATOM 1598 O ILE B 45 1.438 -5.351 28.893 1.00 0.29 O ATOM 1599 CB ILE B 45 0.266 -5.408 31.703 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.475 -5.200 33.204 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.033 -6.180 31.472 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.534 -4.175 33.724 1.00 1.24 C ATOM 0 H ILE B 45 2.532 -4.396 31.458 1.00 0.28 H new ATOM 0 HA ILE B 45 1.479 -7.218 31.527 1.00 0.26 H new ATOM 0 HB ILE B 45 0.206 -4.440 31.205 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.354 -6.145 33.733 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.491 -4.855 33.396 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.870 -5.613 31.878 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.181 -6.331 30.403 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.975 -7.148 31.970 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.384 -4.027 34.794 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.392 -3.228 33.204 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.546 -4.538 33.546 1.00 1.24 H new ATOM 1614 N ILE B 46 1.046 -7.503 29.131 1.00 0.26 N ATOM 1615 CA ILE B 46 0.871 -7.699 27.663 1.00 0.29 C ATOM 1616 C ILE B 46 -0.579 -8.088 27.356 1.00 0.28 C ATOM 1617 O ILE B 46 -1.072 -9.091 27.828 1.00 0.31 O ATOM 1618 CB ILE B 46 1.825 -8.844 27.308 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.259 -8.446 27.662 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.732 -9.158 25.813 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.542 -7.038 27.143 1.00 0.50 C ATOM 0 H ILE B 46 0.936 -8.346 29.694 1.00 0.26 H new ATOM 0 HA ILE B 46 1.085 -6.797 27.090 1.00 0.29 H new ATOM 0 HB ILE B 46 1.544 -9.731 27.876 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.401 -8.482 28.742 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.962 -9.154 27.224 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.413 -9.973 25.569 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.712 -9.452 25.566 1.00 0.37 H new ATOM 0 HG23 ILE B 46 2.004 -8.273 25.238 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.564 -6.756 27.396 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.417 -7.017 26.060 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.847 -6.335 27.602 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.266 -7.306 26.570 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.682 -7.649 26.240 1.00 0.29 C ATOM 1635 C LEU B 47 -2.821 -7.935 24.744 1.00 0.31 C ATOM 1636 O LEU B 47 -2.293 -7.221 23.917 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.497 -6.415 26.623 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.306 -6.118 28.111 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.961 -5.422 28.325 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.433 -5.203 28.595 1.00 1.23 C ATOM 0 H LEU B 47 -0.913 -6.449 26.143 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.021 -8.539 26.770 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.181 -5.559 26.027 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.552 -6.582 26.407 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.326 -7.052 28.673 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.825 -5.211 29.386 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.156 -6.071 27.979 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -1.941 -4.488 27.763 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.299 -4.990 29.656 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.411 -4.270 28.032 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.393 -5.696 28.443 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.523 -8.976 24.393 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.687 -9.311 22.951 1.00 0.34 C ATOM 1654 C LYS B 48 -5.111 -9.805 22.679 1.00 0.27 C ATOM 1655 O LYS B 48 -5.791 -10.280 23.566 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.673 -10.424 22.687 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.967 -11.615 23.602 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.949 -12.725 23.335 1.00 0.85 C ATOM 1659 CE LYS B 48 -0.579 -12.305 23.874 1.00 1.54 C ATOM 1660 NZ LYS B 48 0.397 -13.163 23.149 1.00 1.74 N ATOM 0 H LYS B 48 -3.990 -9.609 25.042 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.524 -8.448 22.305 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.722 -10.734 21.643 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.662 -10.058 22.864 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.919 -11.306 24.646 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.978 -11.983 23.425 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -2.271 -13.650 23.813 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.885 -12.924 22.265 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -0.389 -11.248 23.689 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -0.515 -12.457 24.951 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 1.211 -12.588 22.853 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 0.722 -13.926 23.777 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -0.059 -13.575 22.310 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.550 -9.739 21.452 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.911 -10.252 21.126 1.00 0.25 C ATOM 1676 C LYS B 49 -7.014 -11.730 21.502 1.00 0.22 C ATOM 1677 O LYS B 49 -6.039 -12.454 21.486 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.058 -10.072 19.615 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.469 -10.485 19.189 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.598 -10.365 17.669 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.046 -10.634 17.254 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.007 -11.945 16.549 1.00 1.65 N ATOM 0 H LYS B 49 -5.028 -9.354 20.665 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.693 -9.725 21.672 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.873 -9.033 19.342 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.317 -10.676 19.092 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.670 -11.510 19.502 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.208 -9.851 19.679 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.295 -9.369 17.346 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.931 -11.075 17.180 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.705 -10.672 18.122 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.423 -9.846 16.602 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.965 -12.198 16.234 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.378 -11.877 15.724 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.651 -12.677 17.196 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.170 -12.163 21.918 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.311 -13.570 22.386 1.00 0.22 C ATOM 1698 C TYR B 50 -9.020 -14.423 21.330 1.00 0.25 C ATOM 1699 O TYR B 50 -10.175 -14.213 21.023 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.158 -13.477 23.653 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.369 -14.859 24.219 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.353 -15.816 24.122 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.579 -15.184 24.840 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.548 -17.099 24.646 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.775 -16.467 25.363 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.760 -17.425 25.267 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.952 -18.690 25.782 1.00 0.65 O ATOM 0 H TYR B 50 -9.023 -11.605 21.954 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.344 -14.040 22.568 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.663 -12.843 24.388 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.119 -13.014 23.428 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.418 -15.565 23.643 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.362 -14.445 24.916 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.764 -17.838 24.571 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.710 -16.718 25.841 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.846 -18.749 26.179 1.00 0.65 H new