USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 39 TYR OH : rot -130:sc= -3.49! USER MOD Set 1.2: B 48 LYS NZ :NH3+ -146:sc= 0.595 (180deg=0) USER MOD Set 2.1: A 39 TYR OH : rot -61:sc= -3.41! USER MOD Set 2.2: A 48 LYS NZ :NH3+ -152:sc= 0.532 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 0.836 (180deg=0.462) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 92:sc= 1.16 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ -119:sc= 0.676 (180deg=0.537) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -4.681 -15.384 30.840 1.00 0.37 N ATOM 93 CA ILE A 8 -6.028 -15.127 31.434 1.00 0.37 C ATOM 94 C ILE A 8 -6.804 -14.140 30.561 1.00 0.32 C ATOM 95 O ILE A 8 -6.255 -13.190 30.056 1.00 0.30 O ATOM 96 CB ILE A 8 -5.752 -14.517 32.806 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.832 -15.447 33.602 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.070 -14.337 33.561 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.464 -14.787 34.932 1.00 1.36 C ATOM 0 HA ILE A 8 -6.626 -16.035 31.506 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.270 -13.547 32.681 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.329 -16.400 33.782 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -3.930 -15.661 33.029 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -6.872 -13.901 34.540 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.726 -13.675 32.995 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.553 -15.306 33.686 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -3.809 -15.450 35.498 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -3.950 -13.845 34.741 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.370 -14.595 35.506 1.00 1.36 H new ATOM 111 N VAL A 9 -8.051 -14.407 30.306 1.00 0.32 N ATOM 112 CA VAL A 9 -8.820 -13.532 29.372 1.00 0.29 C ATOM 113 C VAL A 9 -9.973 -12.833 30.099 1.00 0.32 C ATOM 114 O VAL A 9 -10.621 -13.403 30.955 1.00 0.37 O ATOM 115 CB VAL A 9 -9.352 -14.468 28.290 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.222 -13.677 27.312 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.174 -15.090 27.530 1.00 0.30 C ATOM 0 H VAL A 9 -8.573 -15.189 30.700 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.196 -12.741 28.956 1.00 0.29 H new ATOM 0 HB VAL A 9 -9.947 -15.255 28.753 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.602 -14.346 26.540 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.059 -13.231 27.849 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.626 -12.890 26.850 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.552 -15.759 26.757 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.581 -14.300 27.068 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.550 -15.654 28.224 1.00 0.30 H new ATOM 127 N ARG A 10 -10.260 -11.616 29.723 1.00 0.31 N ATOM 128 CA ARG A 10 -11.400 -10.882 30.342 1.00 0.36 C ATOM 129 C ARG A 10 -12.298 -10.301 29.245 1.00 0.31 C ATOM 130 O ARG A 10 -11.891 -10.165 28.111 1.00 0.27 O ATOM 131 CB ARG A 10 -10.756 -9.762 31.160 1.00 0.40 C ATOM 132 CG ARG A 10 -11.832 -9.033 31.966 1.00 0.73 C ATOM 133 CD ARG A 10 -11.210 -7.829 32.678 1.00 0.86 C ATOM 134 NE ARG A 10 -10.139 -8.405 33.539 1.00 1.13 N ATOM 135 CZ ARG A 10 -10.451 -9.072 34.618 1.00 1.36 C ATOM 136 NH1 ARG A 10 -11.704 -9.235 34.950 1.00 1.61 N ATOM 137 NH2 ARG A 10 -9.509 -9.575 35.367 1.00 1.91 N ATOM 0 H ARG A 10 -9.750 -11.096 29.009 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.024 -11.526 30.962 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.002 -10.175 31.830 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.246 -9.062 30.499 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.635 -8.704 31.306 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.276 -9.710 32.695 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.801 -7.115 31.963 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.951 -7.295 33.273 1.00 0.86 H new ATOM 0 HE ARG A 10 -9.159 -8.278 33.285 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.442 -8.841 34.366 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -11.945 -9.756 35.793 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -8.530 -9.447 35.110 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -9.751 -10.096 36.210 1.00 1.91 H new ATOM 151 N LYS A 11 -13.523 -9.989 29.565 1.00 0.32 N ATOM 152 CA LYS A 11 -14.449 -9.454 28.524 1.00 0.29 C ATOM 153 C LYS A 11 -14.294 -7.934 28.404 1.00 0.26 C ATOM 154 O LYS A 11 -14.009 -7.252 29.368 1.00 0.27 O ATOM 155 CB LYS A 11 -15.850 -9.815 29.015 1.00 0.33 C ATOM 156 CG LYS A 11 -16.000 -11.336 29.058 1.00 1.02 C ATOM 157 CD LYS A 11 -17.436 -11.697 29.445 1.00 1.03 C ATOM 158 CE LYS A 11 -17.556 -13.214 29.610 1.00 1.81 C ATOM 159 NZ LYS A 11 -18.440 -13.404 30.793 1.00 2.21 N ATOM 0 H LYS A 11 -13.923 -10.080 30.499 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.244 -9.870 27.538 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.019 -9.394 30.006 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.601 -9.384 28.353 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.756 -11.764 28.086 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.300 -11.761 29.778 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -17.710 -11.197 30.374 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.129 -11.348 28.679 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -17.983 -13.675 28.720 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -16.580 -13.672 29.769 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -18.570 -14.421 30.970 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -18.004 -12.961 31.627 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -19.364 -12.964 30.610 1.00 2.21 H new ATOM 173 N VAL A 12 -14.486 -7.399 27.228 1.00 0.22 N ATOM 174 CA VAL A 12 -14.355 -5.922 27.049 1.00 0.21 C ATOM 175 C VAL A 12 -15.653 -5.229 27.465 1.00 0.20 C ATOM 176 O VAL A 12 -16.724 -5.590 27.023 1.00 0.20 O ATOM 177 CB VAL A 12 -14.112 -5.718 25.552 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.567 -4.309 25.311 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.105 -6.750 25.042 1.00 0.28 C ATOM 0 H VAL A 12 -14.727 -7.919 26.384 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.551 -5.506 27.655 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.053 -5.842 25.016 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.394 -4.163 24.245 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.290 -3.574 25.665 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.629 -4.185 25.851 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.937 -6.598 23.976 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.163 -6.635 25.578 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.496 -7.754 25.209 1.00 0.28 H new ATOM 189 N ASP A 13 -15.572 -4.231 28.300 1.00 0.20 N ATOM 190 CA ASP A 13 -16.811 -3.522 28.725 1.00 0.21 C ATOM 191 C ASP A 13 -17.185 -2.451 27.689 1.00 0.22 C ATOM 192 O ASP A 13 -16.650 -2.417 26.599 1.00 0.22 O ATOM 193 CB ASP A 13 -16.482 -2.906 30.092 1.00 0.21 C ATOM 194 CG ASP A 13 -15.910 -1.498 29.924 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.718 -1.378 29.704 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.677 -0.555 30.016 1.00 0.55 O ATOM 0 H ASP A 13 -14.706 -3.877 28.705 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.670 -4.188 28.799 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.382 -2.868 30.706 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.764 -3.536 30.617 1.00 0.21 H new ATOM 201 N GLU A 14 -18.190 -1.669 27.969 1.00 0.23 N ATOM 202 CA GLU A 14 -18.707 -0.719 26.940 1.00 0.26 C ATOM 203 C GLU A 14 -17.603 0.212 26.421 1.00 0.26 C ATOM 204 O GLU A 14 -17.605 0.594 25.267 1.00 0.29 O ATOM 205 CB GLU A 14 -19.787 0.088 27.660 1.00 0.28 C ATOM 206 CG GLU A 14 -20.932 -0.841 28.069 1.00 1.22 C ATOM 207 CD GLU A 14 -22.035 -0.025 28.745 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.797 1.139 29.025 1.00 1.99 O ATOM 209 OE2 GLU A 14 -23.099 -0.577 28.971 1.00 2.19 O ATOM 0 H GLU A 14 -18.677 -1.645 28.865 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.088 -1.248 26.067 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.366 0.574 28.541 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -20.161 0.878 27.008 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.329 -1.353 27.193 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.565 -1.610 28.749 1.00 1.22 H new ATOM 216 N LEU A 15 -16.740 0.682 27.277 1.00 0.23 N ATOM 217 CA LEU A 15 -15.743 1.702 26.831 1.00 0.24 C ATOM 218 C LEU A 15 -14.502 1.048 26.212 1.00 0.22 C ATOM 219 O LEU A 15 -13.605 1.726 25.754 1.00 0.24 O ATOM 220 CB LEU A 15 -15.364 2.475 28.093 1.00 0.28 C ATOM 221 CG LEU A 15 -14.241 3.460 27.762 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.596 4.238 26.493 1.00 1.28 C ATOM 223 CD2 LEU A 15 -14.067 4.440 28.925 1.00 1.38 C ATOM 0 H LEU A 15 -16.679 0.409 28.258 1.00 0.23 H new ATOM 0 HA LEU A 15 -16.161 2.348 26.059 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.231 3.010 28.480 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -15.041 1.785 28.873 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.313 2.911 27.602 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.794 4.939 26.260 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.723 3.543 25.663 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.524 4.788 26.651 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.267 5.143 28.692 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.997 4.987 29.082 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.813 3.889 29.830 1.00 1.38 H new ATOM 235 N GLY A 16 -14.412 -0.253 26.226 1.00 0.21 N ATOM 236 CA GLY A 16 -13.190 -0.903 25.672 1.00 0.19 C ATOM 237 C GLY A 16 -12.063 -0.848 26.707 1.00 0.20 C ATOM 238 O GLY A 16 -10.948 -0.462 26.410 1.00 0.20 O ATOM 0 H GLY A 16 -15.121 -0.888 26.592 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.405 -1.939 25.408 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.881 -0.399 24.756 1.00 0.19 H new ATOM 242 N ARG A 17 -12.355 -1.182 27.934 1.00 0.24 N ATOM 243 CA ARG A 17 -11.313 -1.103 28.993 1.00 0.26 C ATOM 244 C ARG A 17 -11.013 -2.501 29.537 1.00 0.26 C ATOM 245 O ARG A 17 -11.839 -3.391 29.480 1.00 0.26 O ATOM 246 CB ARG A 17 -11.924 -0.220 30.081 1.00 0.28 C ATOM 247 CG ARG A 17 -12.108 1.198 29.539 1.00 0.28 C ATOM 248 CD ARG A 17 -12.680 2.096 30.639 1.00 0.29 C ATOM 249 NE ARG A 17 -14.065 1.598 30.857 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.930 2.336 31.505 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.568 3.492 31.997 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.157 1.923 31.663 1.00 1.15 N ATOM 0 H ARG A 17 -13.270 -1.506 28.248 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.371 -0.698 28.623 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.884 -0.627 30.399 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.278 -0.205 30.958 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.153 1.593 29.193 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.778 1.186 28.680 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -12.088 2.029 31.552 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.680 3.143 30.335 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.340 0.682 30.502 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.610 3.820 31.876 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.244 4.066 32.502 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.445 1.022 31.281 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.828 2.501 32.169 1.00 1.15 H new ATOM 266 N VAL A 18 -9.838 -2.702 30.064 1.00 0.26 N ATOM 267 CA VAL A 18 -9.485 -4.042 30.612 1.00 0.25 C ATOM 268 C VAL A 18 -9.062 -3.910 32.075 1.00 0.24 C ATOM 269 O VAL A 18 -8.627 -2.863 32.511 1.00 0.24 O ATOM 270 CB VAL A 18 -8.316 -4.525 29.754 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.737 -4.547 28.284 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.130 -3.574 29.929 1.00 0.26 C ATOM 0 H VAL A 18 -9.106 -1.996 30.139 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.323 -4.739 30.583 1.00 0.25 H new ATOM 0 HB VAL A 18 -8.028 -5.529 30.065 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.903 -4.891 27.672 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.583 -5.222 28.158 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -9.025 -3.543 27.973 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.295 -3.917 29.318 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.419 -2.570 29.618 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.829 -3.556 30.977 1.00 0.26 H new ATOM 282 N VAL A 19 -9.259 -4.935 32.855 1.00 0.22 N ATOM 283 CA VAL A 19 -8.953 -4.830 34.310 1.00 0.21 C ATOM 284 C VAL A 19 -7.765 -5.721 34.674 1.00 0.22 C ATOM 285 O VAL A 19 -7.720 -6.885 34.329 1.00 0.23 O ATOM 286 CB VAL A 19 -10.220 -5.315 35.013 1.00 0.22 C ATOM 287 CG1 VAL A 19 -10.093 -5.079 36.519 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.427 -4.546 34.473 1.00 0.24 C ATOM 0 H VAL A 19 -9.618 -5.840 32.550 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.684 -3.815 34.601 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.355 -6.380 34.826 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.997 -5.425 37.019 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.233 -5.629 36.902 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.958 -4.014 36.710 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.332 -4.891 34.974 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.293 -3.481 34.660 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.518 -4.718 33.400 1.00 0.24 H new ATOM 298 N ILE A 20 -6.847 -5.208 35.448 1.00 0.22 N ATOM 299 CA ILE A 20 -5.718 -6.056 35.923 1.00 0.24 C ATOM 300 C ILE A 20 -6.154 -6.846 37.162 1.00 0.24 C ATOM 301 O ILE A 20 -6.704 -6.286 38.083 1.00 0.23 O ATOM 302 CB ILE A 20 -4.606 -5.056 36.264 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.831 -4.708 34.991 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.649 -5.661 37.292 1.00 0.24 C ATOM 305 CD1 ILE A 20 -3.317 -5.992 34.338 1.00 1.38 C ATOM 0 H ILE A 20 -6.830 -4.241 35.771 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.389 -6.788 35.185 1.00 0.24 H new ATOM 0 HB ILE A 20 -5.053 -4.155 36.684 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.475 -4.167 34.297 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -2.996 -4.050 35.230 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.864 -4.942 37.526 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.199 -5.906 38.201 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.201 -6.567 36.883 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.765 -5.743 33.431 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.659 -6.515 35.032 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.160 -6.634 34.085 1.00 1.38 H new ATOM 317 N PRO A 21 -5.854 -8.117 37.160 1.00 0.28 N ATOM 318 CA PRO A 21 -6.181 -8.974 38.327 1.00 0.30 C ATOM 319 C PRO A 21 -5.513 -8.421 39.588 1.00 0.28 C ATOM 320 O PRO A 21 -4.421 -7.898 39.541 1.00 0.27 O ATOM 321 CB PRO A 21 -5.610 -10.346 37.960 1.00 0.35 C ATOM 322 CG PRO A 21 -4.730 -10.124 36.767 1.00 0.35 C ATOM 323 CD PRO A 21 -5.193 -8.862 36.091 1.00 0.32 C ATOM 0 HA PRO A 21 -7.250 -9.018 38.537 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -5.042 -10.767 38.790 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.408 -11.052 37.730 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.687 -10.035 37.071 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.792 -10.970 36.083 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.357 -8.303 35.672 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.877 -9.076 35.270 1.00 0.32 H new ATOM 331 N ILE A 22 -6.166 -8.512 40.713 1.00 0.30 N ATOM 332 CA ILE A 22 -5.566 -7.961 41.965 1.00 0.30 C ATOM 333 C ILE A 22 -4.181 -8.558 42.197 1.00 0.32 C ATOM 334 O ILE A 22 -3.290 -7.902 42.697 1.00 0.32 O ATOM 335 CB ILE A 22 -6.525 -8.375 43.081 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.166 -7.627 44.367 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.408 -9.881 43.320 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.397 -6.128 44.169 1.00 1.11 C ATOM 0 H ILE A 22 -7.085 -8.941 40.822 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.439 -6.879 41.919 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.547 -8.130 42.791 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.774 -7.993 45.194 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -5.125 -7.813 44.630 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -7.091 -10.177 44.116 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.663 -10.416 42.405 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.386 -10.125 43.610 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.141 -5.596 45.085 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.770 -5.768 43.353 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.445 -5.950 43.927 1.00 1.11 H new ATOM 350 N GLU A 23 -3.979 -9.784 41.811 1.00 0.36 N ATOM 351 CA GLU A 23 -2.633 -10.396 41.989 1.00 0.40 C ATOM 352 C GLU A 23 -1.581 -9.559 41.257 1.00 0.37 C ATOM 353 O GLU A 23 -0.469 -9.391 41.716 1.00 0.39 O ATOM 354 CB GLU A 23 -2.746 -11.783 41.352 1.00 0.44 C ATOM 355 CG GLU A 23 -1.456 -12.568 41.603 1.00 1.22 C ATOM 356 CD GLU A 23 -1.529 -13.914 40.881 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.525 -14.156 40.219 1.00 2.37 O ATOM 358 OE2 GLU A 23 -0.588 -14.681 41.001 1.00 2.01 O ATOM 0 H GLU A 23 -4.681 -10.387 41.383 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.333 -10.449 43.036 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.598 -12.319 41.771 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.924 -11.689 40.281 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -0.597 -11.999 41.248 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -1.315 -12.724 42.673 1.00 1.22 H new ATOM 365 N LEU A 24 -1.941 -9.006 40.133 1.00 0.34 N ATOM 366 CA LEU A 24 -0.985 -8.157 39.370 1.00 0.33 C ATOM 367 C LEU A 24 -0.981 -6.727 39.908 1.00 0.29 C ATOM 368 O LEU A 24 0.037 -6.067 39.914 1.00 0.29 O ATOM 369 CB LEU A 24 -1.487 -8.192 37.926 1.00 0.33 C ATOM 370 CG LEU A 24 -1.375 -9.616 37.380 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.732 -9.623 35.893 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.059 -10.117 37.562 1.00 1.75 C ATOM 0 H LEU A 24 -2.863 -9.106 39.707 1.00 0.34 H new ATOM 0 HA LEU A 24 0.039 -8.520 39.454 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.523 -7.855 37.882 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.903 -7.508 37.310 1.00 0.33 H new ATOM 0 HG LEU A 24 -2.061 -10.268 37.920 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.652 -10.638 35.504 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.753 -9.264 35.762 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -1.046 -8.972 35.351 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.142 -11.132 37.174 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.744 -9.464 37.021 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.314 -10.112 38.622 1.00 1.75 H new ATOM 384 N ARG A 25 -2.075 -6.272 40.457 1.00 0.25 N ATOM 385 CA ARG A 25 -2.059 -4.922 41.088 1.00 0.23 C ATOM 386 C ARG A 25 -0.980 -4.892 42.168 1.00 0.25 C ATOM 387 O ARG A 25 -0.236 -3.939 42.293 1.00 0.25 O ATOM 388 CB ARG A 25 -3.438 -4.731 41.730 1.00 0.22 C ATOM 389 CG ARG A 25 -4.543 -4.787 40.672 1.00 0.21 C ATOM 390 CD ARG A 25 -5.871 -4.365 41.315 1.00 0.22 C ATOM 391 NE ARG A 25 -6.930 -4.904 40.424 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.148 -5.061 40.872 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.445 -4.727 42.099 1.00 0.30 N ATOM 394 NH2 ARG A 25 -9.069 -5.549 40.089 1.00 0.27 N ATOM 0 H ARG A 25 -2.966 -6.768 40.496 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.849 -4.136 40.363 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.606 -5.505 42.479 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.473 -3.773 42.249 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.301 -4.126 39.839 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.625 -5.795 40.266 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.964 -4.767 42.324 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.941 -3.280 41.397 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.706 -5.152 39.460 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.726 -4.342 42.711 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.396 -4.851 42.445 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.838 -5.807 39.130 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -10.020 -5.673 40.436 1.00 0.27 H new ATOM 408 N ARG A 26 -0.908 -5.925 42.959 1.00 0.29 N ATOM 409 CA ARG A 26 0.106 -5.960 44.054 1.00 0.33 C ATOM 410 C ARG A 26 1.515 -6.146 43.482 1.00 0.35 C ATOM 411 O ARG A 26 2.440 -5.445 43.841 1.00 0.35 O ATOM 412 CB ARG A 26 -0.282 -7.169 44.905 1.00 0.37 C ATOM 413 CG ARG A 26 0.628 -7.246 46.131 1.00 1.07 C ATOM 414 CD ARG A 26 0.240 -8.458 46.980 1.00 1.25 C ATOM 415 NE ARG A 26 0.625 -9.639 46.158 1.00 1.85 N ATOM 416 CZ ARG A 26 0.738 -10.817 46.713 1.00 2.32 C ATOM 417 NH1 ARG A 26 0.514 -10.965 47.991 1.00 2.40 N ATOM 418 NH2 ARG A 26 1.075 -11.847 45.987 1.00 3.26 N ATOM 0 H ARG A 26 -1.507 -6.748 42.896 1.00 0.29 H new ATOM 0 HA ARG A 26 0.120 -5.033 44.628 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.323 -7.088 45.217 1.00 0.37 H new ATOM 0 HB3 ARG A 26 -0.196 -8.083 44.317 1.00 0.37 H new ATOM 0 HG2 ARG A 26 1.670 -7.325 45.819 1.00 1.07 H new ATOM 0 HG3 ARG A 26 0.540 -6.333 46.720 1.00 1.07 H new ATOM 0 HD2 ARG A 26 0.763 -8.455 47.936 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -0.827 -8.461 47.200 1.00 1.25 H new ATOM 0 HE ARG A 26 0.801 -9.528 45.159 1.00 1.85 H new ATOM 0 HH11 ARG A 26 0.250 -10.160 48.559 1.00 2.40 H new ATOM 0 HH12 ARG A 26 0.603 -11.886 48.421 1.00 2.40 H new ATOM 0 HH21 ARG A 26 1.250 -11.732 44.989 1.00 3.26 H new ATOM 0 HH22 ARG A 26 1.164 -12.767 46.418 1.00 3.26 H new ATOM 432 N THR A 27 1.693 -7.111 42.623 1.00 0.37 N ATOM 433 CA THR A 27 3.052 -7.384 42.068 1.00 0.41 C ATOM 434 C THR A 27 3.563 -6.196 41.249 1.00 0.39 C ATOM 435 O THR A 27 4.752 -5.966 41.156 1.00 0.42 O ATOM 436 CB THR A 27 2.874 -8.613 41.175 1.00 0.44 C ATOM 437 OG1 THR A 27 2.284 -9.664 41.928 1.00 0.61 O ATOM 438 CG2 THR A 27 4.237 -9.064 40.646 1.00 0.77 C ATOM 0 H THR A 27 0.955 -7.725 42.279 1.00 0.37 H new ATOM 0 HA THR A 27 3.785 -7.548 42.858 1.00 0.41 H new ATOM 0 HB THR A 27 2.227 -8.361 40.335 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.309 -9.625 41.837 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.109 -9.940 40.010 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.687 -8.258 40.067 1.00 0.77 H new ATOM 0 HG23 THR A 27 4.887 -9.316 41.484 1.00 0.77 H new ATOM 446 N LEU A 28 2.687 -5.469 40.618 1.00 0.35 N ATOM 447 CA LEU A 28 3.145 -4.337 39.761 1.00 0.34 C ATOM 448 C LEU A 28 3.297 -3.057 40.589 1.00 0.32 C ATOM 449 O LEU A 28 3.766 -2.047 40.102 1.00 0.33 O ATOM 450 CB LEU A 28 2.051 -4.173 38.704 1.00 0.32 C ATOM 451 CG LEU A 28 2.522 -3.194 37.628 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.625 -3.848 36.792 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.345 -2.830 36.720 1.00 1.05 C ATOM 0 H LEU A 28 1.677 -5.607 40.656 1.00 0.35 H new ATOM 0 HA LEU A 28 4.120 -4.531 39.313 1.00 0.34 H new ATOM 0 HB2 LEU A 28 1.817 -5.138 38.255 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.135 -3.807 39.168 1.00 0.32 H new ATOM 0 HG LEU A 28 2.910 -2.292 38.102 1.00 0.44 H new ATOM 0 HD11 LEU A 28 3.962 -3.151 36.025 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.464 -4.110 37.437 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.236 -4.749 36.318 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.680 -2.132 35.953 1.00 1.05 H new ATOM 0 HD22 LEU A 28 0.958 -3.732 36.246 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.557 -2.366 37.314 1.00 1.05 H new ATOM 465 N GLY A 29 2.927 -3.092 41.841 1.00 0.32 N ATOM 466 CA GLY A 29 3.074 -1.875 42.690 1.00 0.32 C ATOM 467 C GLY A 29 2.177 -0.761 42.153 1.00 0.29 C ATOM 468 O GLY A 29 2.573 0.385 42.079 1.00 0.29 O ATOM 0 H GLY A 29 2.531 -3.906 42.311 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.807 -2.105 43.721 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.114 -1.547 42.696 1.00 0.32 H new ATOM 472 N ILE A 30 0.983 -1.089 41.756 1.00 0.27 N ATOM 473 CA ILE A 30 0.072 -0.048 41.195 1.00 0.24 C ATOM 474 C ILE A 30 -1.164 0.124 42.079 1.00 0.23 C ATOM 475 O ILE A 30 -1.709 -0.827 42.601 1.00 0.26 O ATOM 476 CB ILE A 30 -0.323 -0.555 39.812 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.933 -0.740 38.957 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.251 0.460 39.141 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.762 0.548 38.985 1.00 0.29 C ATOM 0 H ILE A 30 0.595 -2.031 41.794 1.00 0.27 H new ATOM 0 HA ILE A 30 0.557 0.927 41.145 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.839 -1.510 39.910 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.524 -1.574 39.335 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.656 -0.985 37.932 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.533 0.097 38.153 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.146 0.591 39.748 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.735 1.415 39.043 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.657 0.418 38.377 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.169 1.371 38.587 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.051 0.773 40.012 1.00 0.29 H new ATOM 491 N ALA A 31 -1.587 1.340 42.265 1.00 0.22 N ATOM 492 CA ALA A 31 -2.764 1.609 43.137 1.00 0.23 C ATOM 493 C ALA A 31 -3.642 2.698 42.514 1.00 0.20 C ATOM 494 O ALA A 31 -3.248 3.371 41.583 1.00 0.18 O ATOM 495 CB ALA A 31 -2.175 2.101 44.458 1.00 0.23 C ATOM 0 H ALA A 31 -1.164 2.169 41.847 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.388 0.725 43.269 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -2.982 2.321 45.157 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.531 1.329 44.879 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.591 3.004 44.282 1.00 0.23 H new ATOM 501 N GLU A 32 -4.831 2.876 43.016 1.00 0.22 N ATOM 502 CA GLU A 32 -5.733 3.916 42.446 1.00 0.21 C ATOM 503 C GLU A 32 -5.020 5.272 42.385 1.00 0.19 C ATOM 504 O GLU A 32 -4.162 5.567 43.191 1.00 0.20 O ATOM 505 CB GLU A 32 -6.918 3.979 43.412 1.00 0.25 C ATOM 506 CG GLU A 32 -8.003 4.886 42.829 1.00 0.27 C ATOM 507 CD GLU A 32 -9.136 5.045 43.844 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.030 4.471 44.916 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.090 5.738 43.533 1.00 1.13 O ATOM 0 H GLU A 32 -5.218 2.346 43.797 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.042 3.678 41.428 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.317 2.979 43.581 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.592 4.360 44.380 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.583 5.861 42.582 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.388 4.461 41.902 1.00 0.27 H new ATOM 516 N LYS A 33 -5.393 6.099 41.436 1.00 0.19 N ATOM 517 CA LYS A 33 -4.799 7.466 41.298 1.00 0.20 C ATOM 518 C LYS A 33 -3.317 7.418 40.896 1.00 0.18 C ATOM 519 O LYS A 33 -2.728 8.435 40.586 1.00 0.21 O ATOM 520 CB LYS A 33 -4.976 8.128 42.658 1.00 0.23 C ATOM 521 CG LYS A 33 -6.444 8.511 42.861 1.00 0.29 C ATOM 522 CD LYS A 33 -6.597 9.276 44.177 1.00 0.87 C ATOM 523 CE LYS A 33 -8.079 9.563 44.432 1.00 1.35 C ATOM 524 NZ LYS A 33 -8.195 9.701 45.911 1.00 1.88 N ATOM 0 H LYS A 33 -6.101 5.877 40.736 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.294 8.025 40.504 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -4.655 7.449 43.448 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.346 9.015 42.726 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -6.788 9.125 42.029 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -7.065 7.616 42.875 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -6.182 8.693 44.999 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -6.037 10.210 44.134 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -8.398 10.473 43.924 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -8.708 8.754 44.060 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -9.184 9.899 46.165 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -7.891 8.817 46.367 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -7.591 10.483 46.235 1.00 1.88 H new ATOM 538 N ASP A 34 -2.736 6.256 40.788 1.00 0.16 N ATOM 539 CA ASP A 34 -1.338 6.178 40.273 1.00 0.16 C ATOM 540 C ASP A 34 -1.329 6.373 38.755 1.00 0.19 C ATOM 541 O ASP A 34 -2.363 6.367 38.117 1.00 0.20 O ATOM 542 CB ASP A 34 -0.847 4.783 40.642 1.00 0.17 C ATOM 543 CG ASP A 34 -0.576 4.727 42.146 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.641 5.767 42.781 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.308 3.645 42.635 1.00 1.08 O ATOM 0 H ASP A 34 -3.163 5.362 41.032 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.698 6.951 40.698 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.593 4.037 40.367 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.061 4.546 40.088 1.00 0.17 H new ATOM 550 N ALA A 35 -0.182 6.623 38.184 1.00 0.22 N ATOM 551 CA ALA A 35 -0.128 6.911 36.722 1.00 0.28 C ATOM 552 C ALA A 35 0.398 5.698 35.948 1.00 0.20 C ATOM 553 O ALA A 35 1.448 5.165 36.245 1.00 0.16 O ATOM 554 CB ALA A 35 0.836 8.089 36.591 1.00 0.36 C ATOM 0 H ALA A 35 0.717 6.640 38.665 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.113 7.136 36.313 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.933 8.365 35.541 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.452 8.938 37.156 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.813 7.805 36.983 1.00 0.36 H new ATOM 560 N LEU A 36 -0.288 5.315 34.905 1.00 0.24 N ATOM 561 CA LEU A 36 0.207 4.202 34.042 1.00 0.21 C ATOM 562 C LEU A 36 0.669 4.764 32.698 1.00 0.20 C ATOM 563 O LEU A 36 -0.006 5.578 32.104 1.00 0.23 O ATOM 564 CB LEU A 36 -1.005 3.297 33.829 1.00 0.34 C ATOM 565 CG LEU A 36 -1.691 3.012 35.163 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.100 2.484 34.894 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.891 1.960 35.936 1.00 0.56 C ATOM 0 H LEU A 36 -1.174 5.727 34.612 1.00 0.24 H new ATOM 0 HA LEU A 36 1.046 3.671 34.491 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.708 3.773 33.145 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.692 2.361 33.365 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.745 3.927 35.752 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.598 2.277 35.841 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.669 3.231 34.340 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.039 1.567 34.308 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.381 1.757 36.888 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.838 1.041 35.352 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.117 2.332 36.119 1.00 0.56 H new ATOM 579 N GLU A 37 1.725 4.238 32.141 1.00 0.19 N ATOM 580 CA GLU A 37 2.102 4.652 30.761 1.00 0.21 C ATOM 581 C GLU A 37 1.796 3.519 29.780 1.00 0.19 C ATOM 582 O GLU A 37 1.885 2.355 30.115 1.00 0.20 O ATOM 583 CB GLU A 37 3.602 4.941 30.816 1.00 0.25 C ATOM 584 CG GLU A 37 4.065 5.487 29.464 1.00 0.26 C ATOM 585 CD GLU A 37 5.580 5.696 29.490 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.179 5.411 30.514 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.115 6.137 28.487 1.00 1.17 O ATOM 0 H GLU A 37 2.337 3.547 32.576 1.00 0.19 H new ATOM 0 HA GLU A 37 1.546 5.526 30.423 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.816 5.663 31.604 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.150 4.031 31.060 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.797 4.792 28.668 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.561 6.429 29.248 1.00 0.26 H new ATOM 594 N ILE A 38 1.302 3.855 28.623 1.00 0.21 N ATOM 595 CA ILE A 38 0.828 2.808 27.677 1.00 0.20 C ATOM 596 C ILE A 38 1.740 2.739 26.451 1.00 0.20 C ATOM 597 O ILE A 38 2.131 3.748 25.893 1.00 0.24 O ATOM 598 CB ILE A 38 -0.579 3.246 27.274 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.443 3.397 28.528 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.198 2.194 26.352 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.814 3.952 28.140 1.00 0.84 C ATOM 0 H ILE A 38 1.205 4.814 28.290 1.00 0.21 H new ATOM 0 HA ILE A 38 0.835 1.816 28.128 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.526 4.200 26.750 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.556 2.432 29.023 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -0.957 4.065 29.239 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.202 2.507 26.065 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.582 2.085 25.459 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.251 1.239 26.874 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.429 4.059 29.033 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.691 4.925 27.665 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.300 3.267 27.445 1.00 0.84 H new ATOM 613 N TYR A 39 2.085 1.547 26.052 1.00 0.19 N ATOM 614 CA TYR A 39 2.992 1.352 24.885 1.00 0.21 C ATOM 615 C TYR A 39 2.241 0.658 23.746 1.00 0.20 C ATOM 616 O TYR A 39 1.322 -0.102 23.976 1.00 0.20 O ATOM 617 CB TYR A 39 4.085 0.423 25.408 1.00 0.24 C ATOM 618 CG TYR A 39 5.111 1.197 26.191 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.752 1.857 27.372 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.428 1.235 25.740 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.718 2.561 28.101 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.397 1.936 26.463 1.00 0.36 C ATOM 623 CZ TYR A 39 7.043 2.601 27.644 1.00 0.39 C ATOM 624 OH TYR A 39 7.999 3.295 28.357 1.00 0.45 O ATOM 0 H TYR A 39 1.771 0.683 26.494 1.00 0.19 H new ATOM 0 HA TYR A 39 3.380 2.295 24.499 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.643 -0.347 26.040 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.566 -0.087 24.573 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.730 1.823 27.721 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.701 0.722 24.830 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.444 3.072 29.012 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.418 1.965 26.112 1.00 0.36 H new ATOM 0 HH TYR A 39 7.750 4.242 28.402 1.00 0.45 H new ATOM 634 N VAL A 40 2.717 0.788 22.539 1.00 0.21 N ATOM 635 CA VAL A 40 2.122 -0.007 21.425 1.00 0.22 C ATOM 636 C VAL A 40 3.219 -0.703 20.613 1.00 0.22 C ATOM 637 O VAL A 40 4.161 -0.083 20.162 1.00 0.23 O ATOM 638 CB VAL A 40 1.378 1.008 20.561 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.846 0.314 19.306 1.00 0.27 C ATOM 640 CG2 VAL A 40 0.206 1.582 21.360 1.00 0.27 C ATOM 0 H VAL A 40 3.486 1.404 22.275 1.00 0.21 H new ATOM 0 HA VAL A 40 1.460 -0.791 21.794 1.00 0.22 H new ATOM 0 HB VAL A 40 2.055 1.812 20.272 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.314 1.037 18.688 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.679 -0.104 18.741 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.165 -0.487 19.594 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.330 2.308 20.749 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.471 0.776 21.643 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.583 2.072 22.258 1.00 0.27 H new ATOM 650 N ASP A 41 3.092 -1.987 20.411 1.00 0.21 N ATOM 651 CA ASP A 41 4.111 -2.723 19.611 1.00 0.22 C ATOM 652 C ASP A 41 3.449 -3.861 18.827 1.00 0.25 C ATOM 653 O ASP A 41 2.795 -4.713 19.391 1.00 0.27 O ATOM 654 CB ASP A 41 5.093 -3.286 20.640 1.00 0.20 C ATOM 655 CG ASP A 41 4.443 -4.455 21.384 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.256 -4.372 21.655 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.143 -5.411 21.671 1.00 1.77 O ATOM 0 H ASP A 41 2.325 -2.558 20.766 1.00 0.21 H new ATOM 0 HA ASP A 41 4.605 -2.080 18.883 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.004 -3.619 20.143 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.381 -2.508 21.346 1.00 0.20 H new ATOM 662 N ASP A 42 3.682 -3.931 17.546 1.00 0.27 N ATOM 663 CA ASP A 42 3.143 -5.069 16.748 1.00 0.33 C ATOM 664 C ASP A 42 1.665 -5.321 17.080 1.00 0.33 C ATOM 665 O ASP A 42 1.251 -6.446 17.276 1.00 0.37 O ATOM 666 CB ASP A 42 3.998 -6.264 17.158 1.00 0.38 C ATOM 667 CG ASP A 42 3.478 -7.529 16.470 1.00 0.45 C ATOM 668 OD1 ASP A 42 2.605 -7.404 15.628 1.00 1.22 O ATOM 669 OD2 ASP A 42 3.964 -8.600 16.797 1.00 1.14 O ATOM 0 H ASP A 42 4.223 -3.248 17.016 1.00 0.27 H new ATOM 0 HA ASP A 42 3.185 -4.876 15.676 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.039 -6.090 16.884 1.00 0.38 H new ATOM 0 HB3 ASP A 42 3.970 -6.389 18.240 1.00 0.38 H new ATOM 674 N GLU A 43 0.860 -4.292 17.075 1.00 0.30 N ATOM 675 CA GLU A 43 -0.606 -4.477 17.307 1.00 0.31 C ATOM 676 C GLU A 43 -0.865 -5.049 18.704 1.00 0.30 C ATOM 677 O GLU A 43 -1.979 -5.391 19.048 1.00 0.31 O ATOM 678 CB GLU A 43 -1.063 -5.461 16.228 1.00 0.35 C ATOM 679 CG GLU A 43 -2.591 -5.560 16.241 1.00 1.17 C ATOM 680 CD GLU A 43 -3.042 -6.614 15.228 1.00 1.34 C ATOM 681 OE1 GLU A 43 -2.182 -7.210 14.601 1.00 1.93 O ATOM 682 OE2 GLU A 43 -4.239 -6.808 15.097 1.00 1.68 O ATOM 0 H GLU A 43 1.154 -3.328 16.920 1.00 0.30 H new ATOM 0 HA GLU A 43 -1.148 -3.533 17.252 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.718 -5.129 15.249 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.623 -6.442 16.406 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.940 -5.826 17.239 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -3.031 -4.593 15.996 1.00 1.17 H new ATOM 689 N LYS A 44 0.139 -5.091 19.532 1.00 0.29 N ATOM 690 CA LYS A 44 -0.065 -5.564 20.931 1.00 0.30 C ATOM 691 C LYS A 44 0.088 -4.392 21.904 1.00 0.27 C ATOM 692 O LYS A 44 0.796 -3.445 21.633 1.00 0.26 O ATOM 693 CB LYS A 44 1.032 -6.603 21.164 1.00 0.34 C ATOM 694 CG LYS A 44 0.868 -7.752 20.168 1.00 1.29 C ATOM 695 CD LYS A 44 1.815 -8.893 20.545 1.00 1.23 C ATOM 696 CE LYS A 44 3.265 -8.419 20.413 1.00 1.90 C ATOM 697 NZ LYS A 44 3.846 -9.260 19.330 1.00 2.01 N ATOM 0 H LYS A 44 1.094 -4.818 19.302 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.059 -5.984 21.088 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.013 -6.143 21.047 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.978 -6.982 22.185 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.163 -8.105 20.171 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.084 -7.405 19.157 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.620 -9.219 21.566 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.642 -9.752 19.897 1.00 1.23 H new ATOM 0 HE2 LYS A 44 3.313 -7.360 20.160 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.809 -8.548 21.348 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 4.883 -9.182 19.349 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.570 -10.252 19.475 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.491 -8.934 18.409 1.00 2.01 H new ATOM 711 N ILE A 45 -0.621 -4.414 22.997 1.00 0.28 N ATOM 712 CA ILE A 45 -0.565 -3.258 23.938 1.00 0.27 C ATOM 713 C ILE A 45 0.332 -3.589 25.135 1.00 0.27 C ATOM 714 O ILE A 45 0.144 -4.584 25.804 1.00 0.29 O ATOM 715 CB ILE A 45 -2.009 -3.064 24.396 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.909 -2.887 23.172 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.102 -1.820 25.280 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.371 -3.031 23.590 1.00 1.25 C ATOM 0 H ILE A 45 -1.235 -5.178 23.280 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.153 -2.363 23.472 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.331 -3.937 24.964 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.743 -1.908 22.724 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.661 -3.631 22.415 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.133 -1.682 25.607 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.459 -1.944 26.151 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.781 -0.946 24.713 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.013 -2.905 22.718 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.531 -4.020 24.018 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.614 -2.271 24.332 1.00 1.25 H new ATOM 730 N ILE A 46 1.280 -2.743 25.429 1.00 0.26 N ATOM 731 CA ILE A 46 2.165 -2.979 26.607 1.00 0.29 C ATOM 732 C ILE A 46 1.952 -1.885 27.657 1.00 0.29 C ATOM 733 O ILE A 46 2.100 -0.715 27.384 1.00 0.31 O ATOM 734 CB ILE A 46 3.586 -2.920 26.042 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.812 -4.121 25.122 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.605 -2.946 27.183 1.00 0.37 C ATOM 737 CD1 ILE A 46 4.866 -3.762 24.078 1.00 0.50 C ATOM 0 H ILE A 46 1.482 -1.893 24.902 1.00 0.26 H new ATOM 0 HA ILE A 46 1.960 -3.929 27.100 1.00 0.29 H new ATOM 0 HB ILE A 46 3.712 -1.996 25.478 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.138 -4.983 25.703 1.00 0.44 H new ATOM 0 HG13 ILE A 46 2.879 -4.400 24.633 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.613 -2.904 26.771 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.443 -2.088 27.835 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.486 -3.865 27.757 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.031 -4.615 23.419 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.521 -2.911 23.490 1.00 0.50 H new ATOM 0 HD13 ILE A 46 5.800 -3.503 24.578 1.00 0.50 H new ATOM 749 N LEU A 47 1.610 -2.255 28.859 1.00 0.28 N ATOM 750 CA LEU A 47 1.396 -1.228 29.920 1.00 0.29 C ATOM 751 C LEU A 47 2.456 -1.371 31.014 1.00 0.31 C ATOM 752 O LEU A 47 2.763 -2.462 31.454 1.00 0.39 O ATOM 753 CB LEU A 47 0.008 -1.517 30.488 1.00 0.34 C ATOM 754 CG LEU A 47 -1.027 -1.480 29.361 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.989 -2.799 28.586 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.422 -1.284 29.960 1.00 1.24 C ATOM 0 H LEU A 47 1.469 -3.221 29.154 1.00 0.28 H new ATOM 0 HA LEU A 47 1.472 -0.214 29.528 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.002 -2.494 30.972 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.244 -0.781 31.251 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.798 -0.656 28.686 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.727 -2.771 27.784 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.004 -2.943 28.161 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.218 -3.624 29.261 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.161 -1.257 29.159 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.648 -2.110 30.635 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.452 -0.345 30.513 1.00 1.24 H new ATOM 768 N LYS A 48 3.000 -0.277 31.468 1.00 0.29 N ATOM 769 CA LYS A 48 4.026 -0.344 32.550 1.00 0.35 C ATOM 770 C LYS A 48 3.828 0.810 33.536 1.00 0.28 C ATOM 771 O LYS A 48 3.189 1.794 33.225 1.00 0.25 O ATOM 772 CB LYS A 48 5.374 -0.203 31.839 1.00 0.47 C ATOM 773 CG LYS A 48 5.536 1.229 31.322 1.00 0.65 C ATOM 774 CD LYS A 48 6.914 1.385 30.677 1.00 0.85 C ATOM 775 CE LYS A 48 7.387 2.832 30.834 1.00 1.54 C ATOM 776 NZ LYS A 48 8.853 2.787 30.572 1.00 1.74 N ATOM 0 H LYS A 48 2.779 0.662 31.137 1.00 0.29 H new ATOM 0 HA LYS A 48 3.959 -1.272 33.118 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.185 -0.446 32.525 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.435 -0.908 31.010 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.755 1.456 30.596 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.424 1.938 32.142 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.626 0.705 31.145 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.866 1.119 29.621 1.00 0.85 H new ATOM 0 HE2 LYS A 48 6.880 3.492 30.130 1.00 1.54 H new ATOM 0 HE3 LYS A 48 7.176 3.210 31.834 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 9.322 3.556 31.091 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 9.234 1.873 30.889 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 9.027 2.900 29.553 1.00 1.74 H new ATOM 790 N LYS A 49 4.445 0.742 34.683 1.00 0.28 N ATOM 791 CA LYS A 49 4.368 1.893 35.627 1.00 0.25 C ATOM 792 C LYS A 49 4.857 3.164 34.935 1.00 0.22 C ATOM 793 O LYS A 49 5.650 3.114 34.017 1.00 0.24 O ATOM 794 CB LYS A 49 5.290 1.526 36.789 1.00 0.29 C ATOM 795 CG LYS A 49 5.214 2.612 37.864 1.00 0.30 C ATOM 796 CD LYS A 49 6.184 2.278 38.999 1.00 0.54 C ATOM 797 CE LYS A 49 6.001 3.283 40.137 1.00 1.08 C ATOM 798 NZ LYS A 49 7.046 2.926 41.137 1.00 1.65 N ATOM 0 H LYS A 49 4.995 -0.054 35.006 1.00 0.28 H new ATOM 0 HA LYS A 49 3.350 2.081 35.967 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.998 0.563 37.209 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.315 1.422 36.434 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.462 3.582 37.434 1.00 0.30 H new ATOM 0 HG3 LYS A 49 4.197 2.685 38.250 1.00 0.30 H new ATOM 0 HD2 LYS A 49 6.003 1.266 39.361 1.00 0.54 H new ATOM 0 HD3 LYS A 49 7.211 2.308 38.635 1.00 0.54 H new ATOM 0 HE2 LYS A 49 6.126 4.307 39.784 1.00 1.08 H new ATOM 0 HE3 LYS A 49 5.002 3.214 40.568 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.984 3.572 41.949 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 6.898 1.949 41.460 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.986 3.007 40.700 1.00 1.65 H new ATOM 812 N TYR A 50 4.327 4.291 35.309 1.00 0.20 N ATOM 813 CA TYR A 50 4.692 5.551 34.597 1.00 0.21 C ATOM 814 C TYR A 50 5.730 6.342 35.397 1.00 0.22 C ATOM 815 O TYR A 50 5.500 6.720 36.530 1.00 0.22 O ATOM 816 CB TYR A 50 3.385 6.339 34.489 1.00 0.20 C ATOM 817 CG TYR A 50 3.639 7.654 33.785 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.773 7.812 32.979 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.741 8.716 33.942 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.008 9.029 32.331 1.00 0.30 C ATOM 821 CE2 TYR A 50 2.976 9.934 33.294 1.00 0.28 C ATOM 822 CZ TYR A 50 4.110 10.091 32.489 1.00 0.30 C ATOM 823 OH TYR A 50 4.342 11.292 31.849 1.00 0.35 O ATOM 0 H TYR A 50 3.660 4.398 36.073 1.00 0.20 H new ATOM 0 HA TYR A 50 5.134 5.354 33.620 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.644 5.759 33.940 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.975 6.521 35.483 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.467 6.993 32.858 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.866 8.595 34.564 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.882 9.149 31.709 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.282 10.753 33.415 1.00 0.28 H new ATOM 0 HH TYR A 50 3.622 11.922 32.064 1.00 0.35 H new ATOM 995 N VAL B 9 -0.181 8.196 28.604 1.00 0.32 N ATOM 996 CA VAL B 9 -0.416 7.714 29.997 1.00 0.29 C ATOM 997 C VAL B 9 -1.854 7.999 30.440 1.00 0.32 C ATOM 998 O VAL B 9 -2.426 9.023 30.121 1.00 0.37 O ATOM 999 CB VAL B 9 0.578 8.490 30.860 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.371 8.121 32.331 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.006 8.125 30.443 1.00 0.30 C ATOM 0 HA VAL B 9 -0.277 6.636 30.081 1.00 0.29 H new ATOM 0 HB VAL B 9 0.419 9.560 30.726 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.079 8.674 32.948 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.646 8.375 32.630 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.532 7.051 32.464 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.717 8.677 31.057 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.163 7.055 30.580 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.156 8.382 29.394 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.422 7.113 31.211 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.802 7.334 31.732 1.00 0.36 C ATOM 1013 C ARG B 10 -3.825 7.119 33.247 1.00 0.31 C ATOM 1014 O ARG B 10 -2.941 6.504 33.807 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.666 6.288 31.027 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.137 6.523 31.371 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.987 5.398 30.777 1.00 0.87 C ATOM 1018 NE ARG B 10 -6.725 5.452 29.312 1.00 1.14 N ATOM 1019 CZ ARG B 10 -7.229 6.417 28.590 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -7.968 7.338 29.148 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -6.994 6.460 27.307 1.00 1.92 N ATOM 0 H ARG B 10 -1.986 6.239 31.505 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.161 8.346 31.545 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.520 6.348 29.948 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.366 5.286 31.334 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.267 6.559 32.453 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.464 7.486 30.978 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.707 4.430 31.193 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -8.045 5.545 30.995 1.00 0.87 H new ATOM 0 HE ARG B 10 -6.151 4.734 28.871 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -8.153 7.305 30.151 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.360 8.090 28.581 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -6.418 5.741 26.870 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -7.387 7.213 26.742 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.808 7.650 33.923 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.856 7.500 35.406 1.00 0.30 C ATOM 1037 C LYS B 11 -5.553 6.190 35.789 1.00 0.26 C ATOM 1038 O LYS B 11 -6.443 5.727 35.104 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.665 8.700 35.899 1.00 0.34 C ATOM 1040 CG LYS B 11 -4.915 9.992 35.569 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.670 11.186 36.157 1.00 1.03 C ATOM 1042 CE LYS B 11 -4.990 12.486 35.723 1.00 1.81 C ATOM 1043 NZ LYS B 11 -6.108 13.426 35.434 1.00 2.21 N ATOM 0 H LYS B 11 -5.578 8.180 33.514 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.860 7.468 35.848 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.648 8.707 35.428 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.827 8.626 36.974 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -3.904 9.952 35.975 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.821 10.104 34.489 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.707 11.176 35.820 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.688 11.118 37.245 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -4.341 12.874 36.508 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -4.367 12.331 34.842 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -5.721 14.342 35.130 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -6.705 13.034 34.678 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -6.680 13.560 36.292 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.154 5.590 36.878 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.795 4.310 37.305 1.00 0.22 C ATOM 1059 C VAL B 12 -7.093 4.606 38.059 1.00 0.20 C ATOM 1060 O VAL B 12 -7.113 5.390 38.987 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.787 3.646 38.244 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.148 2.171 38.421 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.377 3.761 37.663 1.00 0.29 C ATOM 0 H VAL B 12 -4.413 5.929 37.491 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.043 3.673 36.456 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.816 4.148 39.211 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.429 1.698 39.090 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.148 2.090 38.847 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.124 1.672 37.452 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.665 3.286 38.338 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.342 3.267 36.692 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.117 4.813 37.544 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.173 3.979 37.684 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.453 4.229 38.402 1.00 0.21 C ATOM 1075 C ASP B 13 -9.539 3.345 39.654 1.00 0.22 C ATOM 1076 O ASP B 13 -8.565 2.754 40.071 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.559 3.894 37.388 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.958 2.420 37.495 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.299 1.596 36.889 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.919 2.138 38.189 1.00 0.55 O ATOM 0 H ASP B 13 -8.225 3.309 36.917 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.543 5.258 38.751 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.429 4.526 37.568 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.212 4.110 36.378 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.653 3.369 40.331 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.743 2.668 41.645 1.00 0.26 C ATOM 1087 C GLU B 14 -10.379 1.182 41.521 1.00 0.26 C ATOM 1088 O GLU B 14 -9.819 0.601 42.428 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.203 2.823 42.072 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.514 4.303 42.304 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.959 4.453 42.781 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.682 3.473 42.734 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.318 5.547 43.184 1.00 2.19 O ATOM 0 H GLU B 14 -11.505 3.843 40.033 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.045 3.089 42.369 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.862 2.418 41.304 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.389 2.255 42.983 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.831 4.717 43.045 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.364 4.866 41.383 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.799 0.531 40.471 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.587 -0.946 40.390 1.00 0.25 C ATOM 1102 C LEU B 15 -9.204 -1.288 39.824 1.00 0.23 C ATOM 1103 O LEU B 15 -8.839 -2.442 39.726 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.684 -1.460 39.459 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.469 -2.953 39.202 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.218 -3.672 40.531 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.714 -3.538 38.534 1.00 1.39 C ATOM 0 H LEU B 15 -11.275 0.950 39.672 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.632 -1.404 41.378 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.664 -1.293 39.906 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.665 -0.911 38.518 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.607 -3.088 38.549 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -11.065 -4.735 40.346 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.331 -3.255 41.008 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -12.079 -3.538 41.186 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.562 -4.602 38.350 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.576 -3.402 39.188 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.893 -3.028 37.587 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.444 -0.313 39.410 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.112 -0.626 38.813 1.00 0.20 C ATOM 1121 C GLY B 16 -7.295 -1.064 37.357 1.00 0.21 C ATOM 1122 O GLY B 16 -6.770 -2.074 36.926 1.00 0.21 O ATOM 0 H GLY B 16 -8.682 0.678 39.457 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.465 0.250 38.862 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.623 -1.416 39.383 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.071 -0.335 36.605 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.323 -0.730 35.192 1.00 0.27 C ATOM 1128 C ARG B 17 -7.760 0.332 34.245 1.00 0.26 C ATOM 1129 O ARG B 17 -7.626 1.485 34.600 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.845 -0.811 35.072 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.365 -1.952 35.948 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.882 -2.065 35.796 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.422 -0.833 36.432 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.690 -0.764 36.749 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.491 -1.758 36.468 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.160 0.297 37.346 1.00 1.14 N ATOM 0 H ARG B 17 -8.542 0.518 36.908 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.846 -1.674 34.930 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.296 0.133 35.380 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.130 -0.977 34.033 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.890 -2.890 35.661 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.106 -1.770 36.991 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.171 -2.127 34.747 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.263 -2.962 36.285 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.805 -0.043 36.621 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.128 -2.589 36.001 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.479 -1.703 36.716 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.539 1.075 37.567 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.149 0.348 37.592 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.434 -0.050 33.043 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.881 0.937 32.072 1.00 0.26 C ATOM 1152 C VAL B 18 -7.733 0.950 30.802 1.00 0.24 C ATOM 1153 O VAL B 18 -8.401 -0.014 30.486 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.467 0.444 31.766 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.671 0.341 33.069 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.542 -0.935 31.106 1.00 0.26 C ATOM 0 H VAL B 18 -7.526 -1.002 32.690 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.878 1.953 32.467 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.974 1.145 31.092 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.662 -0.011 32.852 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.620 1.321 33.543 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.163 -0.361 33.742 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.535 -1.289 30.887 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.034 -1.635 31.781 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.111 -0.864 30.179 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.780 2.058 30.119 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.669 2.156 28.926 1.00 0.22 C ATOM 1168 C VAL B 19 -7.840 2.272 27.646 1.00 0.22 C ATOM 1169 O VAL B 19 -6.934 3.077 27.552 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.483 3.430 29.149 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.566 3.541 28.074 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -10.136 3.381 30.532 1.00 0.24 C ATOM 0 H VAL B 19 -7.244 2.899 30.333 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.301 1.275 28.812 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.825 4.297 29.089 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -11.146 4.450 28.234 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -10.099 3.577 27.090 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.226 2.675 28.131 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.717 4.289 30.692 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.794 2.514 30.593 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.363 3.305 31.297 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.200 1.537 26.631 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.497 1.677 25.326 1.00 0.24 C ATOM 1184 C ILE B 20 -8.099 2.847 24.541 1.00 0.24 C ATOM 1185 O ILE B 20 -9.298 2.945 24.410 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.747 0.343 24.611 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.711 -0.682 25.077 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.630 0.524 23.095 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -5.304 -0.124 24.853 1.00 1.38 C ATOM 0 H ILE B 20 -8.950 0.846 26.649 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.432 1.884 25.432 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.751 -0.005 24.851 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.859 -0.911 26.132 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.835 -1.616 24.528 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.810 -0.430 22.600 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.367 1.252 22.758 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.630 0.879 22.847 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.566 -0.854 25.185 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -5.159 0.082 23.793 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -5.183 0.798 25.422 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.242 3.675 24.009 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.706 4.820 23.186 1.00 0.30 C ATOM 1203 C PRO B 21 -8.538 4.314 22.003 1.00 0.28 C ATOM 1204 O PRO B 21 -8.270 3.267 21.449 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.416 5.486 22.700 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.311 4.519 23.006 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.785 3.625 24.119 1.00 0.32 C ATOM 0 HA PRO B 21 -8.341 5.511 23.741 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.465 5.698 21.632 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.253 6.437 23.206 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -5.061 3.931 22.123 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.407 5.051 23.301 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.410 2.608 24.003 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.445 3.982 25.091 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.562 5.032 21.627 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.422 4.564 20.502 1.00 0.30 C ATOM 1217 C ILE B 22 -9.572 4.302 19.257 1.00 0.33 C ATOM 1218 O ILE B 22 -9.843 3.403 18.489 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.403 5.707 20.248 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.512 5.228 19.307 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.664 6.881 19.606 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.330 4.134 19.995 1.00 1.11 C ATOM 0 H ILE B 22 -9.839 5.919 22.048 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.935 3.632 20.738 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.840 6.026 21.194 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -13.158 6.063 19.035 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -12.079 4.846 18.383 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.364 7.696 19.425 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.874 7.223 20.274 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.226 6.562 18.660 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -14.119 3.794 19.324 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.679 3.296 20.245 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.775 4.532 20.907 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.527 5.057 19.069 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.649 4.817 17.891 1.00 0.40 C ATOM 1236 C GLU B 23 -7.120 3.381 17.925 1.00 0.37 C ATOM 1237 O GLU B 23 -6.982 2.731 16.907 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.501 5.816 18.045 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.606 5.761 16.806 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.403 6.684 17.005 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.306 7.278 18.065 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -3.599 6.781 16.092 1.00 2.00 O ATOM 0 H GLU B 23 -8.244 5.826 19.676 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.173 4.945 16.944 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.897 6.823 18.176 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.920 5.583 18.937 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.269 4.739 16.633 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -6.169 6.065 15.924 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.840 2.880 19.097 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.341 1.482 19.217 1.00 0.33 C ATOM 1251 C LEU B 24 -7.505 0.488 19.208 1.00 0.29 C ATOM 1252 O LEU B 24 -7.383 -0.609 18.704 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.598 1.440 20.550 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.380 2.363 20.481 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.549 2.208 21.756 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.525 1.987 19.268 1.00 1.75 C ATOM 0 H LEU B 24 -6.936 3.382 19.980 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.696 1.205 18.383 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.260 1.752 21.358 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.283 0.420 20.772 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.712 3.397 20.387 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.681 2.866 21.707 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.157 2.473 22.621 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.216 1.174 21.850 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.657 2.644 19.217 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.193 0.953 19.363 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.116 2.096 18.359 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.659 0.885 19.677 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.830 -0.032 19.582 1.00 0.23 C ATOM 1270 C ARG B 25 -10.051 -0.406 18.117 1.00 0.26 C ATOM 1271 O ARG B 25 -10.307 -1.546 17.784 1.00 0.25 O ATOM 1272 CB ARG B 25 -11.035 0.764 20.097 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.831 1.170 21.558 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.143 1.750 22.101 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.757 2.558 23.289 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.560 3.483 23.743 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.716 3.689 23.171 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.207 4.200 24.775 1.00 0.27 N ATOM 0 H ARG B 25 -8.839 1.789 20.114 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.681 -0.946 20.157 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.178 1.654 19.484 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.940 0.164 20.004 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.527 0.307 22.150 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -10.032 1.907 21.636 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.640 2.366 21.352 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.839 0.957 22.375 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.863 2.389 23.750 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.995 3.127 22.367 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.340 4.412 23.528 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.306 4.037 25.225 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.832 4.923 25.132 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.970 0.557 17.241 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.193 0.278 15.793 1.00 0.33 C ATOM 1294 C ARG B 26 -9.020 -0.519 15.212 1.00 0.35 C ATOM 1295 O ARG B 26 -9.206 -1.503 14.525 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.277 1.656 15.139 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.618 1.499 13.657 1.00 1.07 C ATOM 1298 CD ARG B 26 -10.698 2.881 13.002 1.00 1.25 C ATOM 1299 NE ARG B 26 -9.298 3.389 13.009 1.00 1.86 N ATOM 1300 CZ ARG B 26 -8.957 4.385 12.237 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -9.842 4.942 11.454 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -7.729 4.827 12.248 1.00 3.27 N ATOM 0 H ARG B 26 -9.758 1.529 17.466 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.091 -0.316 15.622 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -11.037 2.260 15.636 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.329 2.181 15.251 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -9.860 0.893 13.161 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.568 0.976 13.545 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -11.089 2.815 11.987 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -11.362 3.544 13.557 1.00 1.25 H new ATOM 0 HE ARG B 26 -8.604 2.957 13.619 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -10.803 4.599 11.445 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -9.572 5.720 10.852 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -7.037 4.394 12.859 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -7.462 5.605 11.645 1.00 3.27 H new ATOM 1316 N THR B 27 -7.817 -0.069 15.438 1.00 0.37 N ATOM 1317 CA THR B 27 -6.632 -0.759 14.848 1.00 0.41 C ATOM 1318 C THR B 27 -6.503 -2.186 15.391 1.00 0.39 C ATOM 1319 O THR B 27 -5.991 -3.065 14.727 1.00 0.42 O ATOM 1320 CB THR B 27 -5.431 0.087 15.269 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.634 1.432 14.857 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.162 -0.462 14.613 1.00 0.77 C ATOM 0 H THR B 27 -7.601 0.749 16.007 1.00 0.37 H new ATOM 0 HA THR B 27 -6.713 -0.848 13.765 1.00 0.41 H new ATOM 0 HB THR B 27 -5.322 0.050 16.353 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.068 1.933 15.579 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.306 0.142 14.914 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.007 -1.494 14.928 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.268 -0.426 13.529 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.905 -2.412 16.611 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.740 -3.771 17.204 1.00 0.35 C ATOM 1332 C LEU B 28 -7.938 -4.663 16.858 1.00 0.33 C ATOM 1333 O LEU B 28 -7.949 -5.841 17.152 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.655 -3.537 18.712 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.249 -4.837 19.409 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.787 -5.154 19.087 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.413 -4.676 20.921 1.00 1.05 C ATOM 0 H LEU B 28 -7.339 -1.719 17.221 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.856 -4.281 16.820 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.929 -2.754 18.929 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.617 -3.193 19.092 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.883 -5.651 19.058 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.498 -6.080 19.584 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.668 -5.267 18.009 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.152 -4.340 19.438 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.124 -5.602 21.419 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.778 -3.862 21.271 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.454 -4.449 21.152 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.941 -4.118 16.224 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.120 -4.950 15.850 1.00 0.32 C ATOM 1351 C GLY B 29 -10.819 -5.448 17.115 1.00 0.29 C ATOM 1352 O GLY B 29 -11.219 -6.592 17.205 1.00 0.29 O ATOM 0 H GLY B 29 -8.995 -3.137 15.950 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.813 -4.365 15.246 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.802 -5.796 15.241 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.948 -4.608 18.104 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.594 -5.048 19.373 1.00 0.24 C ATOM 1358 C ILE B 30 -12.884 -4.265 19.623 1.00 0.23 C ATOM 1359 O ILE B 30 -12.968 -3.078 19.371 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.572 -4.761 20.470 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.286 -5.538 20.184 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.138 -5.196 21.822 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.622 -7.013 19.949 1.00 0.30 C ATOM 0 H ILE B 30 -10.635 -3.637 18.089 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.869 -6.102 19.341 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.355 -3.693 20.493 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.786 -5.124 19.309 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.596 -5.440 21.022 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.408 -4.991 22.605 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.055 -4.644 22.027 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.355 -6.264 21.799 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.706 -7.567 19.745 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.104 -7.422 20.837 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.296 -7.101 19.097 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.898 -4.935 20.092 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.205 -4.263 20.338 1.00 0.23 C ATOM 1377 C ALA B 31 -15.818 -4.774 21.644 1.00 0.20 C ATOM 1378 O ALA B 31 -15.375 -5.752 22.211 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.081 -4.659 19.150 1.00 0.23 C ATOM 0 H ALA B 31 -13.878 -5.929 20.318 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.105 -3.182 20.430 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.065 -4.203 19.256 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.618 -4.314 18.226 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.185 -5.744 19.120 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.833 -4.115 22.130 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.470 -4.558 23.403 1.00 0.21 C ATOM 1387 C GLU B 32 -17.839 -6.045 23.329 1.00 0.19 C ATOM 1388 O GLU B 32 -18.130 -6.568 22.273 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.728 -3.699 23.533 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.369 -3.937 24.901 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.690 -3.171 24.986 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.038 -2.518 24.015 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.333 -3.249 26.020 1.00 1.13 O ATOM 0 H GLU B 32 -17.249 -3.289 21.701 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.804 -4.442 24.258 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.475 -2.645 23.416 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.434 -3.947 22.741 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.544 -5.002 25.052 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.695 -3.609 25.692 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.848 -6.711 24.460 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.229 -8.160 24.521 1.00 0.20 C ATOM 1402 C LYS B 33 -17.217 -9.061 23.799 1.00 0.18 C ATOM 1403 O LYS B 33 -17.291 -10.271 23.891 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.608 -8.258 23.863 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.663 -7.660 24.793 1.00 0.29 C ATOM 1406 CD LYS B 33 -22.051 -7.857 24.180 1.00 0.86 C ATOM 1407 CE LYS B 33 -23.101 -7.179 25.062 1.00 1.35 C ATOM 1408 NZ LYS B 33 -24.229 -6.859 24.142 1.00 1.88 N ATOM 0 H LYS B 33 -17.602 -6.303 25.362 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.243 -8.507 25.554 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -19.606 -7.728 22.910 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.846 -9.300 23.648 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -20.614 -8.138 25.771 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.469 -6.599 24.947 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.079 -7.436 23.175 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -22.271 -8.920 24.087 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -23.424 -7.838 25.868 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -22.703 -6.277 25.527 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.990 -6.391 24.675 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -23.894 -6.225 23.389 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -24.592 -7.737 23.719 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.209 -8.504 23.187 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.142 -9.365 22.597 1.00 0.16 C ATOM 1424 C ASP B 34 -14.225 -9.891 23.702 1.00 0.19 C ATOM 1425 O ASP B 34 -14.294 -9.455 24.834 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.372 -8.457 21.642 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.221 -8.198 20.397 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.260 -8.824 20.271 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.813 -7.381 19.592 1.00 1.09 O ATOM 0 H ASP B 34 -16.077 -7.499 23.070 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.551 -10.234 22.081 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.130 -7.515 22.134 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.427 -8.922 21.362 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.428 -10.881 23.405 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.579 -11.495 24.466 1.00 0.28 C ATOM 1436 C ALA B 35 -11.125 -11.029 24.337 1.00 0.20 C ATOM 1437 O ALA B 35 -10.517 -11.134 23.290 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.682 -13.000 24.227 1.00 0.36 C ATOM 0 H ALA B 35 -13.328 -11.291 22.476 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.907 -11.212 25.466 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.083 -13.528 24.969 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.723 -13.312 24.313 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.314 -13.236 23.229 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.542 -10.594 25.421 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.100 -10.210 25.402 1.00 0.21 C ATOM 1446 C LEU B 36 -8.285 -11.242 26.183 1.00 0.19 C ATOM 1447 O LEU B 36 -8.668 -11.641 27.261 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.037 -8.863 26.118 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.107 -7.923 25.567 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.313 -6.777 26.557 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.650 -7.361 24.219 1.00 0.56 C ATOM 0 H LEU B 36 -11.004 -10.487 26.324 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.700 -10.159 24.389 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.183 -9.005 27.189 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.050 -8.419 25.987 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.042 -8.466 25.429 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.075 -6.098 26.174 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.634 -7.179 27.518 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.376 -6.235 26.686 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.414 -6.690 23.826 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.718 -6.811 24.351 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.492 -8.180 23.518 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.107 -11.566 25.731 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.226 -12.442 26.555 1.00 0.20 C ATOM 1465 C GLU B 37 -5.081 -11.618 27.145 1.00 0.18 C ATOM 1466 O GLU B 37 -4.612 -10.671 26.545 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.701 -13.510 25.596 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.870 -14.530 26.376 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.269 -15.549 25.404 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.507 -15.415 24.216 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.581 -16.444 25.867 1.00 1.17 O ATOM 0 H GLU B 37 -6.718 -11.267 24.837 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.755 -12.894 27.394 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.533 -14.007 25.098 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.093 -13.048 24.818 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.076 -14.024 26.926 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.494 -15.037 27.112 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.730 -11.883 28.371 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.738 -11.021 29.070 1.00 0.20 C ATOM 1480 C ILE B 38 -2.434 -11.783 29.303 1.00 0.19 C ATOM 1481 O ILE B 38 -2.434 -12.936 29.700 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.396 -10.665 30.404 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.742 -9.986 30.141 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.487 -9.713 31.181 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.457 -9.738 31.471 1.00 0.84 C ATOM 0 H ILE B 38 -5.089 -12.663 28.922 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.483 -10.135 28.488 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.554 -11.572 30.987 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.589 -9.043 29.617 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.358 -10.613 29.496 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -3.955 -9.458 32.132 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.528 -10.196 31.366 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.329 -8.805 30.599 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.416 -9.254 31.284 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.623 -10.689 31.978 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -5.842 -9.094 32.100 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.331 -11.140 29.036 1.00 0.18 N ATOM 1498 CA TYR B 39 0.002 -11.787 29.198 1.00 0.20 C ATOM 1499 C TYR B 39 0.791 -11.094 30.312 1.00 0.20 C ATOM 1500 O TYR B 39 0.615 -9.919 30.564 1.00 0.19 O ATOM 1501 CB TYR B 39 0.702 -11.553 27.862 1.00 0.23 C ATOM 1502 CG TYR B 39 0.239 -12.553 26.837 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.099 -12.579 26.426 1.00 0.31 C ATOM 1504 CD2 TYR B 39 1.161 -13.445 26.284 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.513 -13.504 25.460 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.749 -14.368 25.321 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.587 -14.399 24.907 1.00 0.39 C ATOM 1508 OH TYR B 39 -0.991 -15.313 23.956 1.00 0.45 O ATOM 0 H TYR B 39 -1.297 -10.175 28.706 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.079 -12.842 29.458 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.496 -10.542 27.510 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.781 -11.632 27.993 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.810 -11.887 26.853 1.00 0.31 H new ATOM 0 HD2 TYR B 39 2.193 -13.421 26.602 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.545 -13.528 25.141 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.462 -15.059 24.895 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.678 -16.207 24.208 1.00 0.45 H new ATOM 1518 N VAL B 40 1.761 -11.762 30.874 1.00 0.21 N ATOM 1519 CA VAL B 40 2.666 -11.072 31.840 1.00 0.21 C ATOM 1520 C VAL B 40 4.131 -11.345 31.490 1.00 0.21 C ATOM 1521 O VAL B 40 4.545 -12.478 31.344 1.00 0.23 O ATOM 1522 CB VAL B 40 2.317 -11.658 33.204 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.290 -11.116 34.254 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.891 -11.251 33.579 1.00 0.26 C ATOM 0 H VAL B 40 1.966 -12.747 30.709 1.00 0.21 H new ATOM 0 HA VAL B 40 2.537 -9.990 31.820 1.00 0.21 H new ATOM 0 HB VAL B 40 2.390 -12.745 33.164 1.00 0.24 H new ATOM 0 HG11 VAL B 40 3.042 -11.534 35.230 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.308 -11.398 33.986 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.213 -10.029 34.294 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.638 -11.668 34.554 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.822 -10.164 33.621 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.196 -11.630 32.830 1.00 0.26 H new ATOM 1534 N ASP B 41 4.924 -10.313 31.382 1.00 0.21 N ATOM 1535 CA ASP B 41 6.369 -10.509 31.069 1.00 0.21 C ATOM 1536 C ASP B 41 7.211 -9.430 31.756 1.00 0.24 C ATOM 1537 O ASP B 41 6.992 -8.251 31.571 1.00 0.26 O ATOM 1538 CB ASP B 41 6.469 -10.374 29.548 1.00 0.19 C ATOM 1539 CG ASP B 41 6.307 -8.905 29.152 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.503 -8.229 29.773 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.989 -8.481 28.234 1.00 1.77 O ATOM 0 H ASP B 41 4.633 -9.342 31.497 1.00 0.21 H new ATOM 0 HA ASP B 41 6.738 -11.473 31.419 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.432 -10.751 29.202 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.699 -10.978 29.068 1.00 0.19 H new ATOM 1546 N ASP B 42 8.224 -9.822 32.480 1.00 0.27 N ATOM 1547 CA ASP B 42 9.136 -8.815 33.094 1.00 0.32 C ATOM 1548 C ASP B 42 8.338 -7.698 33.778 1.00 0.32 C ATOM 1549 O ASP B 42 8.634 -6.530 33.621 1.00 0.37 O ATOM 1550 CB ASP B 42 9.944 -8.259 31.923 1.00 0.37 C ATOM 1551 CG ASP B 42 10.863 -7.141 32.418 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.936 -6.949 33.620 1.00 1.21 O ATOM 1553 OD2 ASP B 42 11.477 -6.495 31.585 1.00 1.14 O ATOM 0 H ASP B 42 8.459 -10.796 32.673 1.00 0.27 H new ATOM 0 HA ASP B 42 9.770 -9.253 33.864 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.534 -9.053 31.466 1.00 0.37 H new ATOM 0 HB3 ASP B 42 9.273 -7.878 31.153 1.00 0.37 H new ATOM 1558 N GLU B 43 7.376 -8.050 34.590 1.00 0.29 N ATOM 1559 CA GLU B 43 6.612 -7.014 35.353 1.00 0.30 C ATOM 1560 C GLU B 43 5.868 -6.077 34.397 1.00 0.29 C ATOM 1561 O GLU B 43 5.288 -5.092 34.807 1.00 0.30 O ATOM 1562 CB GLU B 43 7.666 -6.245 36.152 1.00 0.34 C ATOM 1563 CG GLU B 43 6.972 -5.296 37.132 1.00 1.17 C ATOM 1564 CD GLU B 43 8.024 -4.459 37.861 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.196 -4.632 37.572 1.00 1.92 O ATOM 1566 OE2 GLU B 43 7.640 -3.658 38.697 1.00 1.68 O ATOM 0 H GLU B 43 7.084 -9.013 34.759 1.00 0.29 H new ATOM 0 HA GLU B 43 5.857 -7.460 36.000 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.306 -6.941 36.695 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.309 -5.681 35.477 1.00 0.34 H new ATOM 0 HG2 GLU B 43 6.281 -4.645 36.597 1.00 1.17 H new ATOM 0 HG3 GLU B 43 6.382 -5.865 37.851 1.00 1.17 H new ATOM 1573 N LYS B 44 5.821 -6.413 33.139 1.00 0.29 N ATOM 1574 CA LYS B 44 5.046 -5.582 32.173 1.00 0.30 C ATOM 1575 C LYS B 44 3.811 -6.354 31.703 1.00 0.27 C ATOM 1576 O LYS B 44 3.805 -7.567 31.670 1.00 0.26 O ATOM 1577 CB LYS B 44 6.002 -5.333 31.007 1.00 0.34 C ATOM 1578 CG LYS B 44 7.235 -4.580 31.509 1.00 1.29 C ATOM 1579 CD LYS B 44 8.080 -4.129 30.316 1.00 1.23 C ATOM 1580 CE LYS B 44 8.606 -5.357 29.570 1.00 1.90 C ATOM 1581 NZ LYS B 44 10.087 -5.291 29.719 1.00 2.00 N ATOM 0 H LYS B 44 6.285 -7.227 32.736 1.00 0.29 H new ATOM 0 HA LYS B 44 4.695 -4.648 32.612 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.299 -6.281 30.558 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.502 -4.755 30.230 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.931 -3.716 32.100 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.825 -5.222 32.164 1.00 1.29 H new ATOM 0 HD2 LYS B 44 7.482 -3.512 29.646 1.00 1.23 H new ATOM 0 HD3 LYS B 44 8.912 -3.514 30.658 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.207 -6.278 29.995 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.313 -5.337 28.520 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.527 -5.215 28.780 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 10.342 -4.459 30.289 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.427 -6.152 30.192 1.00 2.00 H new ATOM 1595 N ILE B 45 2.745 -5.666 31.401 1.00 0.28 N ATOM 1596 CA ILE B 45 1.493 -6.375 31.011 1.00 0.26 C ATOM 1597 C ILE B 45 1.308 -6.333 29.491 1.00 0.26 C ATOM 1598 O ILE B 45 1.325 -5.282 28.887 1.00 0.29 O ATOM 1599 CB ILE B 45 0.376 -5.597 31.703 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.664 -5.523 33.204 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -0.960 -6.306 31.475 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.249 -4.480 33.847 1.00 1.24 C ATOM 0 H ILE B 45 2.686 -4.648 31.407 1.00 0.28 H new ATOM 0 HA ILE B 45 1.506 -7.426 31.299 1.00 0.26 H new ATOM 0 HB ILE B 45 0.326 -4.589 31.290 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.502 -6.497 33.665 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.709 -5.261 33.372 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.756 -5.750 31.969 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.165 -6.360 30.406 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.912 -7.314 31.887 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.044 -4.427 34.916 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.065 -3.506 33.393 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.290 -4.762 33.691 1.00 1.24 H new ATOM 1614 N ILE B 46 1.095 -7.466 28.879 1.00 0.26 N ATOM 1615 CA ILE B 46 0.866 -7.494 27.406 1.00 0.29 C ATOM 1616 C ILE B 46 -0.556 -7.978 27.102 1.00 0.28 C ATOM 1617 O ILE B 46 -0.956 -9.050 27.504 1.00 0.31 O ATOM 1618 CB ILE B 46 1.902 -8.483 26.871 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.302 -7.895 27.049 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.644 -8.762 25.389 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.316 -9.033 27.167 1.00 0.50 C ATOM 0 H ILE B 46 1.070 -8.377 29.337 1.00 0.26 H new ATOM 0 HA ILE B 46 0.967 -6.510 26.948 1.00 0.29 H new ATOM 0 HB ILE B 46 1.825 -9.419 27.425 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.551 -7.257 26.201 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.335 -7.269 27.940 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.387 -9.467 25.017 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.647 -9.186 25.267 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.714 -7.831 24.826 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.316 -8.618 27.294 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.068 -9.653 28.029 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.288 -9.641 26.263 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.323 -7.199 26.391 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.714 -7.624 26.062 1.00 0.29 C ATOM 1635 C LEU B 47 -2.854 -7.848 24.555 1.00 0.31 C ATOM 1636 O LEU B 47 -2.392 -7.056 23.756 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.605 -6.467 26.513 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.372 -6.186 27.997 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -2.095 -5.362 28.168 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.561 -5.403 28.559 1.00 1.23 C ATOM 0 H LEU B 47 -1.048 -6.288 26.024 1.00 0.28 H new ATOM 0 HA LEU B 47 -2.984 -8.559 26.552 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.385 -5.576 25.925 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.653 -6.713 26.340 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.269 -7.130 28.533 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.930 -5.162 29.227 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.247 -5.917 27.767 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.197 -4.418 27.632 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.396 -5.202 29.618 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.662 -4.460 28.022 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.472 -5.989 28.438 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.507 -8.908 24.163 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.700 -9.172 22.708 1.00 0.34 C ATOM 1654 C LYS B 48 -5.105 -9.724 22.456 1.00 0.27 C ATOM 1655 O LYS B 48 -5.757 -10.211 23.357 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.647 -10.220 22.346 1.00 0.47 C ATOM 1657 CG LYS B 48 -3.027 -11.565 22.970 1.00 0.65 C ATOM 1658 CD LYS B 48 -2.009 -12.628 22.554 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.694 -13.996 22.509 1.00 1.54 C ATOM 1660 NZ LYS B 48 -1.781 -14.857 21.706 1.00 1.74 N ATOM 0 H LYS B 48 -3.916 -9.603 24.788 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.596 -8.267 22.110 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.574 -10.318 21.263 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.667 -9.905 22.705 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -3.055 -11.479 24.056 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -4.026 -11.858 22.648 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.592 -12.385 21.577 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.178 -12.648 23.259 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -2.837 -14.399 23.512 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -3.680 -13.929 22.049 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -2.342 -15.537 21.154 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -1.222 -14.263 21.060 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -1.141 -15.373 22.343 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.539 -9.744 21.226 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.855 -10.371 20.919 1.00 0.25 C ATOM 1676 C LYS B 49 -6.865 -11.819 21.411 1.00 0.22 C ATOM 1677 O LYS B 49 -5.834 -12.454 21.514 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.981 -10.325 19.397 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.350 -10.869 18.983 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.456 -10.883 17.457 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.873 -11.291 17.048 1.00 1.08 C ATOM 1682 NZ LYS B 49 -9.839 -11.360 15.561 1.00 1.65 N ATOM 0 H LYS B 49 -5.042 -9.356 20.424 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.682 -9.855 21.407 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.862 -9.301 19.042 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.189 -10.916 18.938 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.487 -11.876 19.376 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.142 -10.251 19.407 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.220 -9.897 17.056 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.730 -11.580 17.038 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.148 -12.253 17.482 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.608 -10.564 17.393 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.777 -11.635 15.205 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.581 -10.429 15.176 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.135 -12.065 15.262 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.005 -12.314 21.803 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.051 -13.684 22.389 1.00 0.22 C ATOM 1698 C TYR B 50 -8.531 -14.701 21.349 1.00 0.25 C ATOM 1699 O TYR B 50 -9.611 -14.586 20.804 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.052 -13.586 23.543 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.193 -14.935 24.210 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.190 -15.900 24.060 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.328 -15.222 24.978 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.322 -17.149 24.676 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.459 -16.471 25.594 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.457 -17.436 25.444 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.586 -18.667 26.053 1.00 0.65 O ATOM 0 H TYR B 50 -8.903 -11.833 21.744 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.069 -14.019 22.723 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.715 -12.845 24.268 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.020 -13.251 23.170 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.314 -15.680 23.468 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.103 -14.479 25.095 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.548 -17.893 24.559 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.335 -16.691 26.186 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.431 -18.700 26.548 1.00 0.65 H new