USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 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 9 LYS NZ :NH3+ 169:sc= -0.0086 (180deg=-0.117) USER MOD Single : A 18 MET CE :methyl -150:sc= -1.17 (180deg=-1.87!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 16:sc= -0.244 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.879) USER MOD Single : A 46 LYS NZ :NH3+ -99:sc= 1.29 (180deg=-0.483) USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -0.0463 (180deg=-1.66!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0955) USER MOD Single : B 18 MET CE :methyl -178:sc= -2.83! (180deg=-2.85!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 7:sc= 0.755 USER MOD Single : B 42 LYS NZ :NH3+ 166:sc= 1.07 (180deg=0.924) USER MOD Single : B 46 LYS NZ :NH3+ -97:sc= 1.25 (180deg=-0.505) USER MOD Single : B 47 LYS NZ :NH3+ 171:sc= -2.19! (180deg=-2.69!) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ILE A 4 -1.678 -10.674 -4.364 1.00 0.31 N ATOM 54 CA ILE A 4 -1.676 -11.035 -2.966 1.00 0.29 C ATOM 55 C ILE A 4 -3.088 -11.409 -2.556 1.00 0.30 C ATOM 56 O ILE A 4 -3.297 -12.270 -1.702 1.00 0.36 O ATOM 57 CB ILE A 4 -1.170 -9.876 -2.083 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.235 -8.959 -2.884 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.454 -10.433 -0.862 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.349 -7.820 -2.076 1.00 0.27 C ATOM 0 HA ILE A 4 -1.001 -11.879 -2.826 1.00 0.29 H new ATOM 0 HB ILE A 4 -2.024 -9.285 -1.752 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.580 -9.556 -3.293 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.784 -8.547 -3.730 1.00 0.30 H new ATOM 0 HG21 ILE A 4 -0.099 -9.610 -0.242 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -1.143 -11.050 -0.286 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.394 -11.038 -1.182 1.00 0.32 H new ATOM 0 HD11 ILE A 4 0.998 -7.218 -2.712 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.458 -7.198 -1.688 1.00 0.27 H new ATOM 0 HD13 ILE A 4 0.928 -8.223 -1.245 1.00 0.27 H new ATOM 72 N GLY A 5 -4.054 -10.750 -3.193 1.00 0.32 N ATOM 73 CA GLY A 5 -5.455 -11.028 -2.942 1.00 0.35 C ATOM 74 C GLY A 5 -5.824 -10.800 -1.499 1.00 0.31 C ATOM 75 O GLY A 5 -6.695 -11.474 -0.957 1.00 0.42 O ATOM 0 H GLY A 5 -3.886 -10.021 -3.886 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -6.071 -10.393 -3.579 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.675 -12.060 -3.214 1.00 0.35 H new ATOM 79 N VAL A 6 -5.146 -9.858 -0.870 1.00 0.22 N ATOM 80 CA VAL A 6 -5.384 -9.569 0.528 1.00 0.21 C ATOM 81 C VAL A 6 -5.965 -8.178 0.692 1.00 0.20 C ATOM 82 O VAL A 6 -5.550 -7.232 0.021 1.00 0.24 O ATOM 83 CB VAL A 6 -4.106 -9.689 1.385 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.649 -11.134 1.477 1.00 0.27 C ATOM 85 CG2 VAL A 6 -2.997 -8.816 0.826 1.00 0.19 C ATOM 0 H VAL A 6 -4.427 -9.281 -1.307 1.00 0.22 H new ATOM 0 HA VAL A 6 -6.095 -10.316 0.881 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.343 -9.341 2.390 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.747 -11.192 2.086 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.435 -11.736 1.934 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.437 -11.513 0.477 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -2.107 -8.917 1.447 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.767 -9.128 -0.193 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.320 -7.775 0.822 1.00 0.19 H new ATOM 95 N VAL A 7 -6.907 -8.074 1.608 1.00 0.17 N ATOM 96 CA VAL A 7 -7.584 -6.824 1.881 1.00 0.16 C ATOM 97 C VAL A 7 -7.409 -6.467 3.350 1.00 0.19 C ATOM 98 O VAL A 7 -7.476 -7.333 4.225 1.00 0.29 O ATOM 99 CB VAL A 7 -9.084 -6.879 1.490 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.793 -8.031 2.189 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.777 -5.556 1.796 1.00 0.16 C ATOM 0 H VAL A 7 -7.224 -8.854 2.184 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.133 -6.045 1.266 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.139 -7.052 0.415 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.843 -8.044 1.895 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.325 -8.973 1.904 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.720 -7.902 3.269 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.827 -5.621 1.512 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.702 -5.344 2.862 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.298 -4.755 1.232 1.00 0.16 H new ATOM 111 N ARG A 8 -7.137 -5.200 3.611 1.00 0.15 N ATOM 112 CA ARG A 8 -6.861 -4.736 4.955 1.00 0.16 C ATOM 113 C ARG A 8 -7.880 -3.707 5.376 1.00 0.15 C ATOM 114 O ARG A 8 -8.415 -2.972 4.547 1.00 0.16 O ATOM 115 CB ARG A 8 -5.459 -4.125 5.056 1.00 0.16 C ATOM 116 CG ARG A 8 -4.406 -5.090 5.573 1.00 0.25 C ATOM 117 CD ARG A 8 -4.324 -6.345 4.723 1.00 0.34 C ATOM 118 NE ARG A 8 -3.341 -7.298 5.233 1.00 0.81 N ATOM 119 CZ ARG A 8 -3.534 -8.619 5.258 1.00 0.85 C ATOM 120 NH1 ARG A 8 -4.669 -9.136 4.799 1.00 0.79 N ATOM 121 NH2 ARG A 8 -2.595 -9.427 5.739 1.00 1.43 N ATOM 0 H ARG A 8 -7.102 -4.469 2.900 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.916 -5.600 5.617 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.158 -3.766 4.072 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.498 -3.257 5.714 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.435 -4.595 5.585 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.638 -5.363 6.603 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.304 -6.821 4.687 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.065 -6.072 3.700 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.458 -6.934 5.590 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -5.395 -8.523 4.427 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -4.814 -10.145 4.819 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -1.720 -9.039 6.092 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -2.749 -10.435 5.755 1.00 1.43 H new ATOM 135 N LYS A 9 -8.166 -3.681 6.655 1.00 0.17 N ATOM 136 CA LYS A 9 -8.996 -2.647 7.217 1.00 0.18 C ATOM 137 C LYS A 9 -8.116 -1.659 7.965 1.00 0.20 C ATOM 138 O LYS A 9 -7.315 -2.049 8.822 1.00 0.24 O ATOM 139 CB LYS A 9 -10.063 -3.247 8.137 1.00 0.20 C ATOM 140 CG LYS A 9 -10.883 -4.350 7.481 1.00 0.21 C ATOM 141 CD LYS A 9 -11.484 -3.900 6.154 1.00 0.23 C ATOM 142 CE LYS A 9 -12.340 -4.989 5.525 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.560 -5.280 6.329 1.00 1.22 N ATOM 0 H LYS A 9 -7.833 -4.370 7.329 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.518 -2.123 6.416 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.579 -3.647 9.028 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.734 -2.454 8.467 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.251 -5.223 7.316 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.682 -4.658 8.155 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -12.090 -3.008 6.313 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.684 -3.624 5.467 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.633 -4.684 4.521 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -11.749 -5.899 5.422 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -14.202 -5.885 5.779 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -13.289 -5.769 7.206 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -14.041 -4.389 6.564 1.00 1.22 H new ATOM 157 N VAL A 10 -8.245 -0.395 7.599 1.00 0.19 N ATOM 158 CA VAL A 10 -7.476 0.686 8.200 1.00 0.19 C ATOM 159 C VAL A 10 -7.669 0.724 9.715 1.00 0.20 C ATOM 160 O VAL A 10 -8.748 0.404 10.213 1.00 0.22 O ATOM 161 CB VAL A 10 -7.905 2.042 7.592 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.317 3.204 8.364 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.500 2.129 6.131 1.00 0.24 C ATOM 0 H VAL A 10 -8.890 -0.086 6.872 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.422 0.506 7.990 1.00 0.19 H new ATOM 0 HB VAL A 10 -8.991 2.102 7.661 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.638 4.142 7.911 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -7.660 3.165 9.398 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.229 3.143 8.340 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.812 3.091 5.724 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.417 2.033 6.047 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -7.980 1.326 5.572 1.00 0.24 H new ATOM 173 N ASP A 11 -6.613 1.084 10.448 1.00 0.21 N ATOM 174 CA ASP A 11 -6.735 1.308 11.880 1.00 0.24 C ATOM 175 C ASP A 11 -7.715 2.440 12.130 1.00 0.25 C ATOM 176 O ASP A 11 -8.858 2.210 12.516 1.00 0.33 O ATOM 177 CB ASP A 11 -5.384 1.652 12.516 1.00 0.30 C ATOM 178 CG ASP A 11 -4.483 0.450 12.701 1.00 1.07 C ATOM 179 OD1 ASP A 11 -5.002 -0.674 12.857 1.00 1.88 O ATOM 180 OD2 ASP A 11 -3.249 0.625 12.697 1.00 1.75 O ATOM 0 H ASP A 11 -5.675 1.224 10.073 1.00 0.21 H new ATOM 0 HA ASP A 11 -7.096 0.387 12.337 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.874 2.387 11.893 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -5.556 2.121 13.485 1.00 0.30 H new ATOM 185 N GLU A 12 -7.243 3.662 11.900 1.00 0.26 N ATOM 186 CA GLU A 12 -8.076 4.866 11.951 1.00 0.27 C ATOM 187 C GLU A 12 -7.460 5.934 11.057 1.00 0.26 C ATOM 188 O GLU A 12 -8.133 6.563 10.244 1.00 0.30 O ATOM 189 CB GLU A 12 -8.180 5.433 13.372 1.00 0.33 C ATOM 190 CG GLU A 12 -8.815 4.500 14.382 1.00 0.47 C ATOM 191 CD GLU A 12 -9.106 5.186 15.698 1.00 0.91 C ATOM 192 OE1 GLU A 12 -10.191 5.790 15.826 1.00 1.69 O ATOM 193 OE2 GLU A 12 -8.253 5.132 16.606 1.00 1.42 O ATOM 0 H GLU A 12 -6.267 3.849 11.671 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.076 4.591 11.614 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.180 5.694 13.718 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -8.757 6.357 13.338 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -9.742 4.101 13.971 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.152 3.652 14.556 1.00 0.47 H new ATOM 200 N LEU A 13 -6.156 6.109 11.226 1.00 0.24 N ATOM 201 CA LEU A 13 -5.398 7.165 10.559 1.00 0.26 C ATOM 202 C LEU A 13 -5.151 6.848 9.090 1.00 0.26 C ATOM 203 O LEU A 13 -4.805 7.725 8.302 1.00 0.55 O ATOM 204 CB LEU A 13 -4.050 7.306 11.256 1.00 0.40 C ATOM 205 CG LEU A 13 -4.101 7.361 12.779 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.744 6.989 13.345 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.522 8.743 13.256 1.00 0.55 C ATOM 0 H LEU A 13 -5.588 5.519 11.834 1.00 0.24 H new ATOM 0 HA LEU A 13 -5.978 8.086 10.615 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.419 6.468 10.961 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.566 8.213 10.893 1.00 0.40 H new ATOM 0 HG LEU A 13 -4.843 6.646 13.135 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.781 7.028 14.434 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.481 5.980 13.027 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -1.993 7.691 12.982 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.551 8.759 14.345 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -3.805 9.484 12.902 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.511 8.978 12.863 1.00 0.55 H new ATOM 219 N GLY A 14 -5.315 5.589 8.736 1.00 0.21 N ATOM 220 CA GLY A 14 -4.954 5.141 7.407 1.00 0.16 C ATOM 221 C GLY A 14 -3.909 4.048 7.462 1.00 0.12 C ATOM 222 O GLY A 14 -3.487 3.524 6.438 1.00 0.11 O ATOM 0 H GLY A 14 -5.693 4.863 9.345 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.841 4.774 6.891 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.574 5.982 6.828 1.00 0.16 H new ATOM 226 N ARG A 15 -3.498 3.693 8.675 1.00 0.12 N ATOM 227 CA ARG A 15 -2.473 2.677 8.865 1.00 0.13 C ATOM 228 C ARG A 15 -3.054 1.295 8.611 1.00 0.11 C ATOM 229 O ARG A 15 -4.103 0.947 9.157 1.00 0.13 O ATOM 230 CB ARG A 15 -1.911 2.719 10.293 1.00 0.17 C ATOM 231 CG ARG A 15 -1.551 4.108 10.794 1.00 0.21 C ATOM 232 CD ARG A 15 -0.763 4.043 12.098 1.00 0.28 C ATOM 233 NE ARG A 15 0.438 3.212 11.981 1.00 1.31 N ATOM 234 CZ ARG A 15 1.667 3.613 12.315 1.00 1.71 C ATOM 235 NH1 ARG A 15 1.872 4.840 12.776 1.00 1.58 N ATOM 236 NH2 ARG A 15 2.690 2.776 12.202 1.00 2.72 N ATOM 0 H ARG A 15 -3.860 4.095 9.540 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.669 2.882 8.158 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.645 2.282 10.970 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -1.022 2.090 10.337 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -0.963 4.628 10.038 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.461 4.689 10.946 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.477 5.051 12.398 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -1.402 3.645 12.887 1.00 0.28 H new ATOM 0 HE ARG A 15 0.328 2.264 11.620 1.00 1.31 H new ATOM 0 HH11 ARG A 15 1.088 5.484 12.877 1.00 1.58 H new ATOM 0 HH12 ARG A 15 2.814 5.139 13.029 1.00 1.58 H new ATOM 0 HH21 ARG A 15 2.537 1.827 11.860 1.00 2.72 H new ATOM 0 HH22 ARG A 15 3.629 3.081 12.457 1.00 2.72 H new ATOM 250 N ILE A 16 -2.388 0.520 7.771 1.00 0.10 N ATOM 251 CA ILE A 16 -2.790 -0.853 7.507 1.00 0.10 C ATOM 252 C ILE A 16 -1.549 -1.739 7.522 1.00 0.09 C ATOM 253 O ILE A 16 -0.440 -1.260 7.745 1.00 0.10 O ATOM 254 CB ILE A 16 -3.551 -1.009 6.160 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.579 -1.113 4.983 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.519 0.145 5.947 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.245 -1.053 3.622 1.00 0.16 C ATOM 0 H ILE A 16 -1.560 0.821 7.256 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.486 -1.157 8.289 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.123 -1.935 6.210 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.851 -0.305 5.055 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.026 -2.049 5.064 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -5.039 0.013 4.998 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.245 0.165 6.759 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.967 1.085 5.931 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.487 -1.133 2.842 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.953 -1.877 3.527 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.774 -0.106 3.517 1.00 0.16 H new ATOM 269 N VAL A 17 -1.726 -3.021 7.279 1.00 0.09 N ATOM 270 CA VAL A 17 -0.623 -3.958 7.370 1.00 0.10 C ATOM 271 C VAL A 17 -0.290 -4.531 6.004 1.00 0.11 C ATOM 272 O VAL A 17 -1.072 -5.286 5.420 1.00 0.16 O ATOM 273 CB VAL A 17 -0.909 -5.097 8.380 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.296 -5.681 8.175 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.152 -6.188 8.286 1.00 0.16 C ATOM 0 H VAL A 17 -2.619 -3.438 7.018 1.00 0.09 H new ATOM 0 HA VAL A 17 0.240 -3.403 7.739 1.00 0.10 H new ATOM 0 HB VAL A 17 -0.870 -4.667 9.381 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.466 -6.478 8.899 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -3.044 -4.900 8.313 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.375 -6.085 7.166 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.072 -6.976 9.005 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.156 -6.606 7.279 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.131 -5.763 8.506 1.00 0.16 H new ATOM 285 N MET A 18 0.865 -4.147 5.495 1.00 0.09 N ATOM 286 CA MET A 18 1.353 -4.680 4.236 1.00 0.09 C ATOM 287 C MET A 18 2.049 -6.001 4.525 1.00 0.09 C ATOM 288 O MET A 18 2.698 -6.143 5.562 1.00 0.15 O ATOM 289 CB MET A 18 2.309 -3.693 3.557 1.00 0.12 C ATOM 290 CG MET A 18 1.819 -2.248 3.573 1.00 0.17 C ATOM 291 SD MET A 18 0.146 -2.062 2.918 1.00 0.84 S ATOM 292 CE MET A 18 0.358 -2.600 1.226 1.00 0.61 C ATOM 0 H MET A 18 1.485 -3.466 5.935 1.00 0.09 H new ATOM 0 HA MET A 18 0.521 -4.839 3.550 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.279 -3.743 4.052 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.462 -4.003 2.523 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.847 -1.872 4.596 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.502 -1.632 2.989 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.354 -2.078 0.586 1.00 0.61 H new ATOM 0 HE2 MET A 18 1.373 -2.376 0.897 1.00 0.61 H new ATOM 0 HE3 MET A 18 0.184 -3.674 1.161 1.00 0.61 H new ATOM 302 N PRO A 19 1.927 -6.991 3.639 1.00 0.09 N ATOM 303 CA PRO A 19 2.342 -8.342 3.946 1.00 0.11 C ATOM 304 C PRO A 19 3.825 -8.599 3.701 1.00 0.12 C ATOM 305 O PRO A 19 4.541 -7.790 3.080 1.00 0.12 O ATOM 306 CB PRO A 19 1.480 -9.190 3.010 1.00 0.13 C ATOM 307 CG PRO A 19 1.154 -8.313 1.846 1.00 0.14 C ATOM 308 CD PRO A 19 1.416 -6.876 2.269 1.00 0.12 C ATOM 0 HA PRO A 19 2.211 -8.569 5.004 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.016 -10.083 2.688 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.573 -9.526 3.512 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.767 -8.577 0.984 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.113 -8.441 1.549 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.141 -6.394 1.613 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.505 -6.278 2.233 1.00 0.12 H new ATOM 316 N ILE A 20 4.289 -9.732 4.209 1.00 0.16 N ATOM 317 CA ILE A 20 5.638 -10.199 3.956 1.00 0.18 C ATOM 318 C ILE A 20 5.918 -10.224 2.462 1.00 0.17 C ATOM 319 O ILE A 20 7.036 -9.978 2.033 1.00 0.18 O ATOM 320 CB ILE A 20 5.849 -11.608 4.553 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.274 -12.110 4.309 1.00 0.29 C ATOM 322 CG2 ILE A 20 4.827 -12.588 3.985 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.344 -11.299 5.012 1.00 0.32 C ATOM 0 H ILE A 20 3.740 -10.350 4.806 1.00 0.16 H new ATOM 0 HA ILE A 20 6.332 -9.509 4.436 1.00 0.18 H new ATOM 0 HB ILE A 20 5.703 -11.540 5.631 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.344 -13.147 4.638 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.472 -12.102 3.237 1.00 0.29 H new ATOM 0 HG21 ILE A 20 4.991 -13.575 4.417 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.821 -12.247 4.230 1.00 0.26 H new ATOM 0 HG23 ILE A 20 4.938 -12.643 2.902 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.325 -11.719 4.788 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.304 -10.266 4.666 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.174 -11.328 6.088 1.00 0.32 H new ATOM 335 N GLU A 21 4.877 -10.490 1.680 1.00 0.17 N ATOM 336 CA GLU A 21 4.967 -10.504 0.226 1.00 0.18 C ATOM 337 C GLU A 21 5.505 -9.182 -0.281 1.00 0.16 C ATOM 338 O GLU A 21 6.294 -9.140 -1.217 1.00 0.18 O ATOM 339 CB GLU A 21 3.593 -10.718 -0.371 1.00 0.21 C ATOM 340 CG GLU A 21 2.664 -11.498 0.540 1.00 0.20 C ATOM 341 CD GLU A 21 2.474 -12.935 0.099 1.00 0.35 C ATOM 342 OE1 GLU A 21 1.657 -13.179 -0.809 1.00 0.96 O ATOM 343 OE2 GLU A 21 3.146 -13.827 0.663 1.00 1.27 O ATOM 0 H GLU A 21 3.946 -10.702 2.038 1.00 0.17 H new ATOM 0 HA GLU A 21 5.637 -11.312 -0.067 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.145 -9.750 -0.594 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.693 -11.248 -1.318 1.00 0.21 H new ATOM 0 HG2 GLU A 21 3.063 -11.484 1.554 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.694 -11.002 0.572 1.00 0.20 H new ATOM 350 N LEU A 22 5.084 -8.112 0.373 1.00 0.14 N ATOM 351 CA LEU A 22 5.496 -6.778 -0.005 1.00 0.15 C ATOM 352 C LEU A 22 6.950 -6.574 0.358 1.00 0.15 C ATOM 353 O LEU A 22 7.731 -6.051 -0.430 1.00 0.16 O ATOM 354 CB LEU A 22 4.606 -5.732 0.682 1.00 0.18 C ATOM 355 CG LEU A 22 5.288 -4.403 1.026 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.365 -3.235 0.719 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.691 -4.379 2.498 1.00 0.32 C ATOM 0 H LEU A 22 4.453 -8.146 1.173 1.00 0.14 H new ATOM 0 HA LEU A 22 5.386 -6.657 -1.083 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.754 -5.525 0.035 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.211 -6.165 1.601 1.00 0.18 H new ATOM 0 HG LEU A 22 6.185 -4.309 0.414 1.00 0.23 H new ATOM 0 HD11 LEU A 22 4.866 -2.300 0.969 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.113 -3.239 -0.342 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.453 -3.327 1.309 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.174 -3.429 2.728 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.803 -4.494 3.120 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.384 -5.196 2.699 1.00 0.32 H new ATOM 369 N ARG A 23 7.311 -7.008 1.556 1.00 0.17 N ATOM 370 CA ARG A 23 8.688 -6.889 2.014 1.00 0.20 C ATOM 371 C ARG A 23 9.627 -7.661 1.098 1.00 0.21 C ATOM 372 O ARG A 23 10.670 -7.147 0.690 1.00 0.23 O ATOM 373 CB ARG A 23 8.809 -7.393 3.460 1.00 0.26 C ATOM 374 CG ARG A 23 7.918 -6.637 4.437 1.00 0.35 C ATOM 375 CD ARG A 23 8.285 -6.927 5.892 1.00 0.43 C ATOM 376 NE ARG A 23 7.653 -8.137 6.417 1.00 0.58 N ATOM 377 CZ ARG A 23 8.087 -8.799 7.494 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.213 -8.435 8.103 1.00 0.82 N ATOM 379 NH2 ARG A 23 7.392 -9.826 7.960 1.00 0.82 N ATOM 0 H ARG A 23 6.675 -7.443 2.225 1.00 0.17 H new ATOM 0 HA ARG A 23 8.975 -5.838 1.985 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.554 -8.452 3.491 1.00 0.26 H new ATOM 0 HB3 ARG A 23 9.847 -7.306 3.783 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.001 -5.567 4.249 1.00 0.35 H new ATOM 0 HG3 ARG A 23 6.877 -6.911 4.264 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.367 -7.026 5.974 1.00 0.43 H new ATOM 0 HD3 ARG A 23 7.995 -6.077 6.509 1.00 0.43 H new ATOM 0 HE ARG A 23 6.831 -8.497 5.932 1.00 0.58 H new ATOM 0 HH11 ARG A 23 9.752 -7.645 7.748 1.00 0.82 H new ATOM 0 HH12 ARG A 23 9.537 -8.946 8.924 1.00 0.82 H new ATOM 0 HH21 ARG A 23 6.528 -10.109 7.497 1.00 0.82 H new ATOM 0 HH22 ARG A 23 7.720 -10.333 8.782 1.00 0.82 H new ATOM 393 N ARG A 24 9.243 -8.893 0.803 1.00 0.21 N ATOM 394 CA ARG A 24 9.976 -9.760 -0.117 1.00 0.24 C ATOM 395 C ARG A 24 10.071 -9.148 -1.504 1.00 0.23 C ATOM 396 O ARG A 24 11.163 -9.026 -2.057 1.00 0.25 O ATOM 397 CB ARG A 24 9.274 -11.110 -0.215 1.00 0.25 C ATOM 398 CG ARG A 24 9.168 -11.835 1.110 1.00 0.29 C ATOM 399 CD ARG A 24 8.148 -12.962 1.043 1.00 0.33 C ATOM 400 NE ARG A 24 8.440 -13.919 -0.022 1.00 0.45 N ATOM 401 CZ ARG A 24 7.510 -14.564 -0.726 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.221 -14.352 -0.489 1.00 0.87 N ATOM 403 NH2 ARG A 24 7.875 -15.420 -1.669 1.00 0.86 N ATOM 0 H ARG A 24 8.408 -9.326 1.197 1.00 0.21 H new ATOM 0 HA ARG A 24 10.986 -9.884 0.274 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.273 -10.961 -0.619 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.813 -11.740 -0.922 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.142 -12.239 1.385 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.883 -11.130 1.891 1.00 0.29 H new ATOM 0 HD2 ARG A 24 8.125 -13.484 2.000 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.155 -12.540 0.886 1.00 0.33 H new ATOM 0 HE ARG A 24 9.419 -14.105 -0.241 1.00 0.45 H new ATOM 0 HH11 ARG A 24 5.937 -13.692 0.235 1.00 0.87 H new ATOM 0 HH12 ARG A 24 5.514 -14.849 -1.031 1.00 0.87 H new ATOM 0 HH21 ARG A 24 8.865 -15.583 -1.854 1.00 0.86 H new ATOM 0 HH22 ARG A 24 7.166 -15.916 -2.210 1.00 0.86 H new ATOM 417 N ALA A 25 8.920 -8.778 -2.060 1.00 0.21 N ATOM 418 CA ALA A 25 8.856 -8.167 -3.382 1.00 0.23 C ATOM 419 C ALA A 25 9.777 -6.963 -3.482 1.00 0.24 C ATOM 420 O ALA A 25 10.469 -6.768 -4.479 1.00 0.27 O ATOM 421 CB ALA A 25 7.433 -7.740 -3.690 1.00 0.23 C ATOM 0 H ALA A 25 8.012 -8.893 -1.609 1.00 0.21 H new ATOM 0 HA ALA A 25 9.183 -8.912 -4.108 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.396 -7.285 -4.680 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.779 -8.611 -3.667 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.101 -7.017 -2.945 1.00 0.23 H new ATOM 427 N LEU A 26 9.782 -6.169 -2.431 1.00 0.24 N ATOM 428 CA LEU A 26 10.518 -4.926 -2.419 1.00 0.27 C ATOM 429 C LEU A 26 11.945 -5.101 -1.913 1.00 0.29 C ATOM 430 O LEU A 26 12.862 -5.345 -2.701 1.00 0.37 O ATOM 431 CB LEU A 26 9.759 -3.903 -1.573 1.00 0.24 C ATOM 432 CG LEU A 26 8.396 -3.486 -2.138 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.686 -2.530 -1.193 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.568 -2.841 -3.502 1.00 0.32 C ATOM 0 H LEU A 26 9.278 -6.367 -1.567 1.00 0.24 H new ATOM 0 HA LEU A 26 10.599 -4.568 -3.445 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.612 -4.315 -0.575 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.378 -3.013 -1.462 1.00 0.24 H new ATOM 0 HG LEU A 26 7.783 -4.381 -2.243 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.722 -2.249 -1.616 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.531 -3.018 -0.230 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.295 -1.637 -1.054 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.593 -2.550 -3.892 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.201 -1.958 -3.410 1.00 0.32 H new ATOM 0 HD23 LEU A 26 9.034 -3.552 -4.184 1.00 0.32 H new ATOM 446 N ASP A 27 12.126 -5.001 -0.597 1.00 0.27 N ATOM 447 CA ASP A 27 13.464 -4.950 -0.005 1.00 0.33 C ATOM 448 C ASP A 27 13.364 -4.806 1.516 1.00 0.37 C ATOM 449 O ASP A 27 14.371 -4.631 2.204 1.00 0.59 O ATOM 450 CB ASP A 27 14.230 -3.753 -0.597 1.00 0.40 C ATOM 451 CG ASP A 27 15.728 -3.814 -0.372 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.333 -4.871 -0.646 1.00 1.37 O ATOM 453 OD2 ASP A 27 16.317 -2.787 0.029 1.00 1.10 O ATOM 0 H ASP A 27 11.364 -4.954 0.080 1.00 0.27 H new ATOM 0 HA ASP A 27 13.996 -5.874 -0.231 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.035 -3.702 -1.668 1.00 0.40 H new ATOM 0 HB3 ASP A 27 13.843 -2.833 -0.158 1.00 0.40 H new ATOM 458 N ILE A 28 12.144 -4.930 2.042 1.00 0.28 N ATOM 459 CA ILE A 28 11.871 -4.566 3.433 1.00 0.29 C ATOM 460 C ILE A 28 12.378 -5.633 4.397 1.00 0.28 C ATOM 461 O ILE A 28 12.136 -6.827 4.202 1.00 0.29 O ATOM 462 CB ILE A 28 10.359 -4.320 3.709 1.00 0.31 C ATOM 463 CG1 ILE A 28 9.842 -3.040 3.037 1.00 0.33 C ATOM 464 CG2 ILE A 28 10.098 -4.243 5.206 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.783 -3.102 1.535 1.00 0.37 C ATOM 0 H ILE A 28 11.334 -5.278 1.529 1.00 0.28 H new ATOM 0 HA ILE A 28 12.406 -3.631 3.600 1.00 0.29 H new ATOM 0 HB ILE A 28 9.820 -5.165 3.280 1.00 0.31 H new ATOM 0 HG12 ILE A 28 8.844 -2.823 3.418 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.483 -2.208 3.328 1.00 0.33 H new ATOM 0 HG21 ILE A 28 9.036 -4.071 5.382 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.396 -5.180 5.676 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.674 -3.423 5.634 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.407 -2.156 1.146 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.782 -3.286 1.139 1.00 0.37 H new ATOM 0 HD13 ILE A 28 9.118 -3.910 1.230 1.00 0.37 H new ATOM 477 N ALA A 29 13.081 -5.199 5.438 1.00 0.31 N ATOM 478 CA ALA A 29 13.501 -6.101 6.493 1.00 0.33 C ATOM 479 C ALA A 29 12.605 -5.935 7.711 1.00 0.34 C ATOM 480 O ALA A 29 11.995 -6.896 8.180 1.00 0.43 O ATOM 481 CB ALA A 29 14.960 -5.875 6.861 1.00 0.34 C ATOM 0 H ALA A 29 13.369 -4.229 5.569 1.00 0.31 H new ATOM 0 HA ALA A 29 13.408 -7.123 6.127 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.246 -6.565 7.654 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.587 -6.048 5.986 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.094 -4.850 7.207 1.00 0.34 H new ATOM 487 N ILE A 30 12.491 -4.704 8.190 1.00 0.29 N ATOM 488 CA ILE A 30 11.717 -4.429 9.392 1.00 0.32 C ATOM 489 C ILE A 30 11.030 -3.067 9.289 1.00 0.34 C ATOM 490 O ILE A 30 9.926 -2.885 9.789 1.00 0.44 O ATOM 491 CB ILE A 30 12.615 -4.518 10.659 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.779 -4.515 11.955 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.652 -3.399 10.676 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.518 -3.145 12.545 1.00 0.39 C ATOM 0 H ILE A 30 12.923 -3.883 7.766 1.00 0.29 H new ATOM 0 HA ILE A 30 10.940 -5.188 9.484 1.00 0.32 H new ATOM 0 HB ILE A 30 13.143 -5.470 10.615 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.822 -4.995 11.753 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.290 -5.124 12.701 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.266 -3.485 11.573 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.286 -3.477 9.793 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.146 -2.434 10.675 1.00 0.31 H new ATOM 0 HD11 ILE A 30 10.923 -3.247 13.453 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.467 -2.665 12.785 1.00 0.39 H new ATOM 0 HD13 ILE A 30 10.976 -2.535 11.823 1.00 0.39 H new ATOM 506 N LYS A 31 11.682 -2.122 8.618 1.00 0.32 N ATOM 507 CA LYS A 31 11.100 -0.802 8.385 1.00 0.37 C ATOM 508 C LYS A 31 11.300 -0.402 6.928 1.00 0.37 C ATOM 509 O LYS A 31 10.374 0.055 6.256 1.00 0.57 O ATOM 510 CB LYS A 31 11.732 0.244 9.312 1.00 0.39 C ATOM 511 CG LYS A 31 11.639 -0.108 10.787 1.00 0.39 C ATOM 512 CD LYS A 31 11.918 1.091 11.674 1.00 0.45 C ATOM 513 CE LYS A 31 10.769 2.088 11.635 1.00 0.46 C ATOM 514 NZ LYS A 31 11.032 3.265 12.501 1.00 0.65 N ATOM 0 H LYS A 31 12.615 -2.245 8.225 1.00 0.32 H new ATOM 0 HA LYS A 31 10.033 -0.849 8.603 1.00 0.37 H new ATOM 0 HB2 LYS A 31 12.781 0.368 9.043 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.245 1.205 9.146 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.645 -0.497 11.005 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.350 -0.902 11.016 1.00 0.39 H new ATOM 0 HD2 LYS A 31 12.078 0.758 12.699 1.00 0.45 H new ATOM 0 HD3 LYS A 31 12.837 1.579 11.350 1.00 0.45 H new ATOM 0 HE2 LYS A 31 10.610 2.420 10.609 1.00 0.46 H new ATOM 0 HE3 LYS A 31 9.851 1.597 11.957 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 10.227 3.922 12.448 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 11.159 2.951 13.484 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 11.895 3.748 12.178 1.00 0.65 H new ATOM 528 N ASP A 32 12.515 -0.619 6.457 1.00 0.24 N ATOM 529 CA ASP A 32 12.920 -0.341 5.082 1.00 0.25 C ATOM 530 C ASP A 32 12.472 1.036 4.563 1.00 0.35 C ATOM 531 O ASP A 32 13.010 2.045 5.008 1.00 0.84 O ATOM 532 CB ASP A 32 12.434 -1.445 4.170 1.00 0.31 C ATOM 533 CG ASP A 32 13.370 -1.647 3.014 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.587 -1.785 3.252 1.00 1.80 O ATOM 535 OD2 ASP A 32 12.910 -1.648 1.864 1.00 1.91 O ATOM 0 H ASP A 32 13.268 -1.002 7.029 1.00 0.24 H new ATOM 0 HA ASP A 32 14.010 -0.310 5.081 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.344 -2.373 4.735 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.439 -1.201 3.797 1.00 0.31 H new ATOM 540 N SER A 33 11.461 1.072 3.668 1.00 0.25 N ATOM 541 CA SER A 33 11.040 2.292 2.942 1.00 0.19 C ATOM 542 C SER A 33 9.950 1.927 1.928 1.00 0.19 C ATOM 543 O SER A 33 10.165 1.063 1.089 1.00 0.28 O ATOM 544 CB SER A 33 12.191 2.958 2.158 1.00 0.24 C ATOM 545 OG SER A 33 13.197 3.487 3.004 1.00 0.27 O ATOM 0 H SER A 33 10.909 0.249 3.427 1.00 0.25 H new ATOM 0 HA SER A 33 10.685 2.993 3.697 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.637 2.226 1.484 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.787 3.758 1.537 1.00 0.24 H new ATOM 0 HG SER A 33 13.101 3.108 3.903 1.00 0.27 H new ATOM 551 N ILE A 34 8.778 2.553 2.009 1.00 0.16 N ATOM 552 CA ILE A 34 7.744 2.341 0.988 1.00 0.18 C ATOM 553 C ILE A 34 7.120 3.668 0.562 1.00 0.15 C ATOM 554 O ILE A 34 6.564 4.384 1.383 1.00 0.16 O ATOM 555 CB ILE A 34 6.605 1.400 1.454 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.133 0.199 2.243 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.820 0.917 0.250 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.264 0.464 3.726 1.00 0.58 C ATOM 0 H ILE A 34 8.519 3.200 2.754 1.00 0.16 H new ATOM 0 HA ILE A 34 8.257 1.867 0.151 1.00 0.18 H new ATOM 0 HB ILE A 34 5.958 1.970 2.121 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.465 -0.648 2.091 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.107 -0.088 1.845 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.019 0.255 0.579 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.392 1.773 -0.272 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.484 0.376 -0.424 1.00 0.76 H new ATOM 0 HD11 ILE A 34 7.643 -0.429 4.223 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.955 1.291 3.888 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.288 0.721 4.137 1.00 0.58 H new ATOM 570 N GLU A 35 7.191 3.972 -0.725 1.00 0.13 N ATOM 571 CA GLU A 35 6.687 5.237 -1.254 1.00 0.13 C ATOM 572 C GLU A 35 5.505 4.969 -2.188 1.00 0.13 C ATOM 573 O GLU A 35 5.564 4.053 -3.015 1.00 0.17 O ATOM 574 CB GLU A 35 7.808 5.975 -1.995 1.00 0.16 C ATOM 575 CG GLU A 35 7.425 7.379 -2.447 1.00 0.23 C ATOM 576 CD GLU A 35 8.472 8.020 -3.336 1.00 0.38 C ATOM 577 OE1 GLU A 35 9.619 7.524 -3.369 1.00 1.13 O ATOM 578 OE2 GLU A 35 8.145 9.015 -4.021 1.00 1.21 O ATOM 0 H GLU A 35 7.596 3.356 -1.430 1.00 0.13 H new ATOM 0 HA GLU A 35 6.346 5.866 -0.432 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.681 6.038 -1.345 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.101 5.390 -2.867 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.477 7.336 -2.984 1.00 0.23 H new ATOM 0 HG3 GLU A 35 7.267 8.007 -1.570 1.00 0.23 H new ATOM 585 N PHE A 36 4.434 5.757 -2.062 1.00 0.13 N ATOM 586 CA PHE A 36 3.189 5.435 -2.768 1.00 0.12 C ATOM 587 C PHE A 36 2.811 6.448 -3.859 1.00 0.14 C ATOM 588 O PHE A 36 3.106 7.644 -3.783 1.00 0.16 O ATOM 589 CB PHE A 36 2.001 5.288 -1.803 1.00 0.15 C ATOM 590 CG PHE A 36 2.372 5.017 -0.374 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.096 3.891 -0.026 1.00 1.24 C ATOM 592 CD2 PHE A 36 1.988 5.896 0.623 1.00 1.11 C ATOM 593 CE1 PHE A 36 3.429 3.647 1.289 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.316 5.655 1.940 1.00 1.06 C ATOM 595 CZ PHE A 36 3.040 4.531 2.272 1.00 0.36 C ATOM 0 H PHE A 36 4.401 6.603 -1.493 1.00 0.13 H new ATOM 0 HA PHE A 36 3.396 4.481 -3.253 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.407 6.201 -1.841 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.364 4.478 -2.157 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.404 3.196 -0.793 1.00 1.24 H new ATOM 0 HD2 PHE A 36 1.425 6.781 0.366 1.00 1.11 H new ATOM 0 HE1 PHE A 36 3.994 2.764 1.549 1.00 1.33 H new ATOM 0 HE2 PHE A 36 2.006 6.346 2.710 1.00 1.06 H new ATOM 0 HZ PHE A 36 3.303 4.343 3.302 1.00 0.36 H new ATOM 605 N PHE A 37 2.136 5.909 -4.868 1.00 0.15 N ATOM 606 CA PHE A 37 1.554 6.651 -5.982 1.00 0.17 C ATOM 607 C PHE A 37 0.052 6.467 -5.908 1.00 0.13 C ATOM 608 O PHE A 37 -0.420 5.536 -5.263 1.00 0.11 O ATOM 609 CB PHE A 37 2.085 6.060 -7.303 1.00 0.20 C ATOM 610 CG PHE A 37 1.914 6.915 -8.535 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.748 6.863 -9.283 1.00 1.25 C ATOM 612 CD2 PHE A 37 2.937 7.745 -8.965 1.00 1.13 C ATOM 613 CE1 PHE A 37 0.604 7.624 -10.428 1.00 1.26 C ATOM 614 CE2 PHE A 37 2.802 8.503 -10.112 1.00 1.15 C ATOM 615 CZ PHE A 37 1.633 8.444 -10.845 1.00 0.33 C ATOM 0 H PHE A 37 1.972 4.904 -4.936 1.00 0.15 H new ATOM 0 HA PHE A 37 1.813 7.709 -5.935 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.147 5.846 -7.180 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.586 5.107 -7.476 1.00 0.20 H new ATOM 0 HD1 PHE A 37 -0.059 6.219 -8.967 1.00 1.25 H new ATOM 0 HD2 PHE A 37 3.853 7.800 -8.395 1.00 1.13 H new ATOM 0 HE1 PHE A 37 -0.313 7.577 -10.996 1.00 1.26 H new ATOM 0 HE2 PHE A 37 3.611 9.142 -10.435 1.00 1.15 H new ATOM 0 HZ PHE A 37 1.524 9.037 -11.741 1.00 0.33 H new ATOM 625 N VAL A 38 -0.695 7.349 -6.527 1.00 0.17 N ATOM 626 CA VAL A 38 -2.131 7.162 -6.620 1.00 0.18 C ATOM 627 C VAL A 38 -2.627 7.406 -8.039 1.00 0.21 C ATOM 628 O VAL A 38 -2.380 8.454 -8.637 1.00 0.25 O ATOM 629 CB VAL A 38 -2.899 8.029 -5.602 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.516 9.497 -5.706 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.403 7.862 -5.758 1.00 0.25 C ATOM 0 H VAL A 38 -0.342 8.196 -6.971 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.334 6.121 -6.366 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.614 7.679 -4.610 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.079 10.073 -4.972 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.449 9.609 -5.514 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.745 9.863 -6.707 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -4.916 8.486 -5.026 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.700 8.162 -6.763 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.672 6.818 -5.597 1.00 0.25 H new ATOM 641 N ASP A 39 -3.316 6.412 -8.570 1.00 0.24 N ATOM 642 CA ASP A 39 -3.806 6.446 -9.937 1.00 0.30 C ATOM 643 C ASP A 39 -5.317 6.303 -9.955 1.00 0.32 C ATOM 644 O ASP A 39 -5.836 5.192 -9.906 1.00 0.29 O ATOM 645 CB ASP A 39 -3.155 5.326 -10.757 1.00 0.30 C ATOM 646 CG ASP A 39 -3.711 5.215 -12.166 1.00 0.44 C ATOM 647 OD1 ASP A 39 -3.916 6.261 -12.816 1.00 1.12 O ATOM 648 OD2 ASP A 39 -3.926 4.074 -12.637 1.00 1.27 O ATOM 0 H ASP A 39 -3.552 5.557 -8.065 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.542 7.405 -10.383 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -2.080 5.501 -10.810 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.298 4.377 -10.241 1.00 0.30 H new ATOM 653 N GLY A 40 -6.010 7.434 -9.992 1.00 0.40 N ATOM 654 CA GLY A 40 -7.464 7.434 -10.009 1.00 0.45 C ATOM 655 C GLY A 40 -8.065 6.870 -8.735 1.00 0.39 C ATOM 656 O GLY A 40 -8.338 7.607 -7.786 1.00 0.43 O ATOM 0 H GLY A 40 -5.587 8.362 -10.011 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.821 8.453 -10.154 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.813 6.850 -10.860 1.00 0.45 H new ATOM 660 N ASP A 41 -8.257 5.558 -8.717 1.00 0.33 N ATOM 661 CA ASP A 41 -8.811 4.866 -7.561 1.00 0.29 C ATOM 662 C ASP A 41 -7.851 3.764 -7.152 1.00 0.21 C ATOM 663 O ASP A 41 -8.239 2.764 -6.552 1.00 0.25 O ATOM 664 CB ASP A 41 -10.183 4.254 -7.879 1.00 0.35 C ATOM 665 CG ASP A 41 -11.160 5.247 -8.476 1.00 0.98 C ATOM 666 OD1 ASP A 41 -11.740 6.053 -7.722 1.00 1.72 O ATOM 667 OD2 ASP A 41 -11.366 5.214 -9.711 1.00 1.74 O ATOM 0 H ASP A 41 -8.034 4.945 -9.501 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.943 5.585 -6.752 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -10.050 3.424 -8.573 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.609 3.841 -6.965 1.00 0.35 H new ATOM 672 N LYS A 42 -6.591 3.952 -7.499 1.00 0.18 N ATOM 673 CA LYS A 42 -5.558 2.967 -7.239 1.00 0.14 C ATOM 674 C LYS A 42 -4.396 3.581 -6.471 1.00 0.12 C ATOM 675 O LYS A 42 -4.154 4.781 -6.555 1.00 0.14 O ATOM 676 CB LYS A 42 -5.059 2.421 -8.572 1.00 0.12 C ATOM 677 CG LYS A 42 -3.733 1.684 -8.495 1.00 0.18 C ATOM 678 CD LYS A 42 -3.001 1.734 -9.826 1.00 0.40 C ATOM 679 CE LYS A 42 -3.847 1.154 -10.944 1.00 0.53 C ATOM 680 NZ LYS A 42 -3.229 1.363 -12.279 1.00 0.41 N ATOM 0 H LYS A 42 -6.255 4.792 -7.969 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.977 2.165 -6.631 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.812 1.746 -8.978 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.960 3.248 -9.275 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -3.111 2.128 -7.718 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.906 0.646 -8.211 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.741 2.766 -10.062 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -2.066 1.179 -9.750 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -3.989 0.087 -10.774 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -4.835 1.614 -10.926 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -3.645 0.698 -12.962 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -3.405 2.338 -12.594 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -2.204 1.199 -12.217 1.00 0.41 H new ATOM 694 N ILE A 43 -3.678 2.748 -5.738 1.00 0.10 N ATOM 695 CA ILE A 43 -2.480 3.171 -5.043 1.00 0.09 C ATOM 696 C ILE A 43 -1.314 2.287 -5.473 1.00 0.08 C ATOM 697 O ILE A 43 -1.498 1.110 -5.760 1.00 0.10 O ATOM 698 CB ILE A 43 -2.694 3.122 -3.514 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.683 4.225 -3.095 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.375 3.231 -2.759 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.049 5.414 -2.387 1.00 0.15 C ATOM 0 H ILE A 43 -3.910 1.763 -5.610 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.250 4.204 -5.304 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.121 2.154 -3.252 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.203 4.584 -3.983 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.436 3.788 -2.439 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.565 3.193 -1.686 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.724 2.403 -3.042 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.890 4.175 -3.008 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.822 6.139 -2.130 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.554 5.074 -1.478 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.317 5.882 -3.046 1.00 0.15 H new ATOM 713 N ILE A 44 -0.137 2.868 -5.563 1.00 0.08 N ATOM 714 CA ILE A 44 1.045 2.153 -6.023 1.00 0.09 C ATOM 715 C ILE A 44 2.134 2.253 -4.972 1.00 0.11 C ATOM 716 O ILE A 44 2.328 3.310 -4.400 1.00 0.19 O ATOM 717 CB ILE A 44 1.571 2.755 -7.344 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.398 3.068 -8.275 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.554 1.804 -8.012 1.00 0.19 C ATOM 720 CD1 ILE A 44 0.797 3.639 -9.615 1.00 0.22 C ATOM 0 H ILE A 44 0.032 3.844 -5.322 1.00 0.08 H new ATOM 0 HA ILE A 44 0.773 1.111 -6.192 1.00 0.09 H new ATOM 0 HB ILE A 44 2.100 3.683 -7.124 1.00 0.14 H new ATOM 0 HG12 ILE A 44 -0.173 2.154 -8.439 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.267 3.774 -7.777 1.00 0.19 H new ATOM 0 HG21 ILE A 44 2.913 2.246 -8.941 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.397 1.625 -7.345 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.056 0.859 -8.229 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -0.096 3.830 -10.209 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.340 4.572 -9.466 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.435 2.927 -10.138 1.00 0.22 H new ATOM 732 N LEU A 45 2.844 1.176 -4.711 1.00 0.09 N ATOM 733 CA LEU A 45 3.878 1.195 -3.690 1.00 0.10 C ATOM 734 C LEU A 45 5.193 0.722 -4.271 1.00 0.12 C ATOM 735 O LEU A 45 5.222 -0.185 -5.104 1.00 0.16 O ATOM 736 CB LEU A 45 3.506 0.310 -2.494 1.00 0.11 C ATOM 737 CG LEU A 45 2.639 0.955 -1.408 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.262 1.306 -1.934 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.524 0.033 -0.206 1.00 0.23 C ATOM 0 H LEU A 45 2.728 0.281 -5.186 1.00 0.09 H new ATOM 0 HA LEU A 45 3.975 2.223 -3.341 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.983 -0.569 -2.870 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.428 -0.041 -2.030 1.00 0.11 H new ATOM 0 HG LEU A 45 3.126 1.881 -1.100 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.674 1.762 -1.138 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.357 2.008 -2.762 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.764 0.401 -2.281 1.00 0.17 H new ATOM 0 HD21 LEU A 45 1.905 0.505 0.557 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.068 -0.908 -0.512 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.517 -0.160 0.201 1.00 0.23 H new ATOM 751 N LYS A 46 6.271 1.361 -3.853 1.00 0.15 N ATOM 752 CA LYS A 46 7.611 0.918 -4.205 1.00 0.24 C ATOM 753 C LYS A 46 8.599 1.383 -3.149 1.00 0.25 C ATOM 754 O LYS A 46 8.436 2.456 -2.575 1.00 0.41 O ATOM 755 CB LYS A 46 8.012 1.414 -5.614 1.00 0.45 C ATOM 756 CG LYS A 46 8.018 2.933 -5.806 1.00 0.81 C ATOM 757 CD LYS A 46 9.310 3.575 -5.311 1.00 1.10 C ATOM 758 CE LYS A 46 9.395 5.048 -5.676 1.00 1.19 C ATOM 759 NZ LYS A 46 10.612 5.695 -5.109 1.00 1.52 N ATOM 0 H LYS A 46 6.245 2.194 -3.265 1.00 0.15 H new ATOM 0 HA LYS A 46 7.625 -0.171 -4.236 1.00 0.24 H new ATOM 0 HB2 LYS A 46 9.007 1.033 -5.844 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.328 0.977 -6.341 1.00 0.45 H new ATOM 0 HG2 LYS A 46 7.882 3.164 -6.863 1.00 0.81 H new ATOM 0 HG3 LYS A 46 7.172 3.367 -5.273 1.00 0.81 H new ATOM 0 HD2 LYS A 46 9.376 3.466 -4.228 1.00 1.10 H new ATOM 0 HD3 LYS A 46 10.163 3.047 -5.737 1.00 1.10 H new ATOM 0 HE2 LYS A 46 9.401 5.153 -6.761 1.00 1.19 H new ATOM 0 HE3 LYS A 46 8.507 5.564 -5.311 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.360 6.206 -4.239 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 11.322 4.967 -4.890 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 11.004 6.364 -5.802 1.00 1.52 H new ATOM 773 N LYS A 47 9.599 0.566 -2.867 1.00 0.23 N ATOM 774 CA LYS A 47 10.635 0.951 -1.918 1.00 0.25 C ATOM 775 C LYS A 47 11.423 2.119 -2.497 1.00 0.27 C ATOM 776 O LYS A 47 11.510 2.262 -3.713 1.00 0.39 O ATOM 777 CB LYS A 47 11.538 -0.244 -1.597 1.00 0.33 C ATOM 778 CG LYS A 47 12.485 -0.010 -0.432 1.00 0.40 C ATOM 779 CD LYS A 47 13.845 0.488 -0.879 1.00 0.44 C ATOM 780 CE LYS A 47 14.792 0.692 0.293 1.00 0.77 C ATOM 781 NZ LYS A 47 15.178 -0.584 0.943 1.00 0.53 N ATOM 0 H LYS A 47 9.718 -0.361 -3.276 1.00 0.23 H new ATOM 0 HA LYS A 47 10.183 1.268 -0.978 1.00 0.25 H new ATOM 0 HB2 LYS A 47 10.913 -1.109 -1.375 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.123 -0.492 -2.483 1.00 0.33 H new ATOM 0 HG2 LYS A 47 12.043 0.715 0.251 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.607 -0.939 0.125 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.281 -0.227 -1.577 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.727 1.428 -1.418 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.689 1.204 -0.054 1.00 0.77 H new ATOM 0 HE3 LYS A 47 14.319 1.342 1.029 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 15.480 -0.398 1.921 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 14.364 -1.231 0.949 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.962 -1.019 0.416 1.00 0.53 H new ATOM 795 N TYR A 48 11.994 2.948 -1.633 1.00 0.23 N ATOM 796 CA TYR A 48 12.585 4.209 -2.066 1.00 0.29 C ATOM 797 C TYR A 48 13.732 3.965 -3.046 1.00 0.38 C ATOM 798 O TYR A 48 13.820 4.608 -4.092 1.00 0.41 O ATOM 799 CB TYR A 48 13.077 4.987 -0.847 1.00 0.36 C ATOM 800 CG TYR A 48 13.446 6.423 -1.145 1.00 0.53 C ATOM 801 CD1 TYR A 48 12.467 7.408 -1.212 1.00 1.15 C ATOM 802 CD2 TYR A 48 14.767 6.798 -1.362 1.00 1.37 C ATOM 803 CE1 TYR A 48 12.792 8.722 -1.484 1.00 1.26 C ATOM 804 CE2 TYR A 48 15.101 8.111 -1.636 1.00 1.49 C ATOM 805 CZ TYR A 48 14.110 9.069 -1.695 1.00 0.93 C ATOM 806 OH TYR A 48 14.439 10.379 -1.976 1.00 1.14 O ATOM 0 H TYR A 48 12.061 2.771 -0.631 1.00 0.23 H new ATOM 0 HA TYR A 48 11.825 4.795 -2.583 1.00 0.29 H new ATOM 0 HB2 TYR A 48 12.301 4.973 -0.082 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.946 4.478 -0.430 1.00 0.36 H new ATOM 0 HD1 TYR A 48 11.434 7.140 -1.048 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.545 6.051 -1.316 1.00 1.37 H new ATOM 0 HE1 TYR A 48 12.018 9.474 -1.531 1.00 1.26 H new ATOM 0 HE2 TYR A 48 16.132 8.385 -1.803 1.00 1.49 H new ATOM 0 HH TYR A 48 15.409 10.454 -2.096 1.00 1.14 H new ATOM 958 N ILE B 4 1.725 10.938 -4.414 1.00 0.30 N ATOM 959 CA ILE B 4 1.707 11.319 -3.022 1.00 0.28 C ATOM 960 C ILE B 4 3.113 11.728 -2.618 1.00 0.31 C ATOM 961 O ILE B 4 3.317 12.706 -1.896 1.00 0.37 O ATOM 962 CB ILE B 4 1.231 10.154 -2.135 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.101 9.387 -2.831 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.762 10.688 -0.791 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.433 8.218 -2.029 1.00 0.28 C ATOM 0 HA ILE B 4 1.013 12.148 -2.887 1.00 0.28 H new ATOM 0 HB ILE B 4 2.062 9.468 -1.970 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.718 10.076 -3.040 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.462 9.021 -3.792 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.426 9.859 -0.167 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.585 11.204 -0.297 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.063 11.384 -0.944 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -1.229 7.727 -2.588 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.372 7.507 -1.843 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.826 8.578 -1.078 1.00 0.28 H new ATOM 977 N GLY B 5 4.078 10.963 -3.124 1.00 0.33 N ATOM 978 CA GLY B 5 5.478 11.245 -2.882 1.00 0.38 C ATOM 979 C GLY B 5 5.844 11.082 -1.423 1.00 0.34 C ATOM 980 O GLY B 5 6.720 11.777 -0.909 1.00 0.46 O ATOM 0 H GLY B 5 3.908 10.142 -3.705 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.092 10.578 -3.487 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.703 12.263 -3.201 1.00 0.38 H new ATOM 984 N VAL B 6 5.146 10.181 -0.747 1.00 0.24 N ATOM 985 CA VAL B 6 5.412 9.902 0.652 1.00 0.22 C ATOM 986 C VAL B 6 6.005 8.512 0.807 1.00 0.21 C ATOM 987 O VAL B 6 5.586 7.574 0.131 1.00 0.25 O ATOM 988 CB VAL B 6 4.142 10.012 1.532 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.594 11.430 1.527 1.00 0.26 C ATOM 990 CG2 VAL B 6 3.074 9.032 1.079 1.00 0.20 C ATOM 0 H VAL B 6 4.388 9.630 -1.149 1.00 0.24 H new ATOM 0 HA VAL B 6 6.121 10.656 0.992 1.00 0.22 H new ATOM 0 HB VAL B 6 4.428 9.758 2.553 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.703 11.478 2.153 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.349 12.113 1.917 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.337 11.717 0.507 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.195 9.132 1.715 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.800 9.244 0.046 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.459 8.015 1.151 1.00 0.20 H new ATOM 1000 N VAL B 7 6.959 8.385 1.710 1.00 0.18 N ATOM 1001 CA VAL B 7 7.606 7.108 1.948 1.00 0.16 C ATOM 1002 C VAL B 7 7.476 6.732 3.419 1.00 0.18 C ATOM 1003 O VAL B 7 7.694 7.555 4.307 1.00 0.23 O ATOM 1004 CB VAL B 7 9.091 7.099 1.499 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.933 8.079 2.304 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.662 5.690 1.579 1.00 0.19 C ATOM 0 H VAL B 7 7.303 9.150 2.291 1.00 0.18 H new ATOM 0 HA VAL B 7 7.098 6.361 1.338 1.00 0.16 H new ATOM 0 HB VAL B 7 9.126 7.428 0.460 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.966 8.041 1.958 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.543 9.088 2.172 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.894 7.810 3.360 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.704 5.701 1.261 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.600 5.330 2.606 1.00 0.19 H new ATOM 0 HG23 VAL B 7 9.091 5.028 0.928 1.00 0.19 H new ATOM 1016 N ARG B 8 7.106 5.489 3.664 1.00 0.15 N ATOM 1017 CA ARG B 8 6.773 5.021 4.997 1.00 0.16 C ATOM 1018 C ARG B 8 7.808 4.032 5.471 1.00 0.16 C ATOM 1019 O ARG B 8 8.428 3.342 4.663 1.00 0.16 O ATOM 1020 CB ARG B 8 5.401 4.337 5.002 1.00 0.16 C ATOM 1021 CG ARG B 8 4.249 5.209 5.476 1.00 0.18 C ATOM 1022 CD ARG B 8 4.247 6.587 4.831 1.00 0.23 C ATOM 1023 NE ARG B 8 2.936 7.224 4.947 1.00 0.50 N ATOM 1024 CZ ARG B 8 2.733 8.527 5.140 1.00 0.51 C ATOM 1025 NH1 ARG B 8 3.750 9.359 5.320 1.00 0.80 N ATOM 1026 NH2 ARG B 8 1.493 8.994 5.187 1.00 0.82 N ATOM 0 H ARG B 8 7.028 4.773 2.942 1.00 0.15 H new ATOM 0 HA ARG B 8 6.750 5.884 5.662 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.182 3.989 3.993 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.454 3.454 5.639 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.306 4.709 5.255 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.305 5.320 6.559 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.002 7.214 5.305 1.00 0.23 H new ATOM 0 HD3 ARG B 8 4.520 6.499 3.779 1.00 0.23 H new ATOM 0 HE ARG B 8 2.114 6.625 4.875 1.00 0.50 H new ATOM 0 HH11 ARG B 8 4.706 9.005 5.312 1.00 0.80 H new ATOM 0 HH12 ARG B 8 3.576 10.353 5.466 1.00 0.80 H new ATOM 0 HH21 ARG B 8 0.704 8.357 5.076 1.00 0.82 H new ATOM 0 HH22 ARG B 8 1.328 9.990 5.334 1.00 0.82 H new ATOM 1040 N LYS B 9 8.011 3.980 6.767 1.00 0.18 N ATOM 1041 CA LYS B 9 8.848 2.958 7.348 1.00 0.19 C ATOM 1042 C LYS B 9 7.978 1.940 8.064 1.00 0.19 C ATOM 1043 O LYS B 9 7.157 2.298 8.911 1.00 0.23 O ATOM 1044 CB LYS B 9 9.874 3.583 8.298 1.00 0.22 C ATOM 1045 CG LYS B 9 10.748 4.647 7.636 1.00 0.25 C ATOM 1046 CD LYS B 9 11.275 4.176 6.288 1.00 0.25 C ATOM 1047 CE LYS B 9 12.238 5.173 5.665 1.00 0.68 C ATOM 1048 NZ LYS B 9 13.508 5.280 6.432 1.00 0.91 N ATOM 0 H LYS B 9 7.608 4.634 7.438 1.00 0.18 H new ATOM 0 HA LYS B 9 9.401 2.448 6.559 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.350 4.029 9.144 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.513 2.796 8.698 1.00 0.22 H new ATOM 0 HG2 LYS B 9 10.171 5.562 7.503 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.585 4.890 8.290 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.778 3.217 6.412 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.437 4.011 5.610 1.00 0.25 H new ATOM 0 HE2 LYS B 9 12.458 4.872 4.641 1.00 0.68 H new ATOM 0 HE3 LYS B 9 11.762 6.152 5.614 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 14.203 5.822 5.879 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 13.329 5.765 7.334 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 13.882 4.328 6.620 1.00 0.91 H new ATOM 1062 N VAL B 10 8.137 0.679 7.682 1.00 0.18 N ATOM 1063 CA VAL B 10 7.362 -0.414 8.247 1.00 0.19 C ATOM 1064 C VAL B 10 7.515 -0.459 9.763 1.00 0.20 C ATOM 1065 O VAL B 10 8.588 -0.170 10.289 1.00 0.23 O ATOM 1066 CB VAL B 10 7.814 -1.765 7.640 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.242 -2.936 8.410 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.415 -1.858 6.180 1.00 0.25 C ATOM 0 H VAL B 10 8.808 0.387 6.971 1.00 0.18 H new ATOM 0 HA VAL B 10 6.313 -0.244 8.004 1.00 0.19 H new ATOM 0 HB VAL B 10 8.901 -1.809 7.712 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.579 -3.869 7.957 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.581 -2.892 9.445 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.153 -2.892 8.383 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.742 -2.815 5.774 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.331 -1.778 6.093 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.884 -1.047 5.622 1.00 0.25 H new ATOM 1078 N ASP B 11 6.427 -0.774 10.458 1.00 0.20 N ATOM 1079 CA ASP B 11 6.490 -1.019 11.893 1.00 0.21 C ATOM 1080 C ASP B 11 7.432 -2.177 12.184 1.00 0.22 C ATOM 1081 O ASP B 11 8.598 -1.972 12.511 1.00 0.25 O ATOM 1082 CB ASP B 11 5.102 -1.328 12.453 1.00 0.26 C ATOM 1083 CG ASP B 11 4.266 -0.086 12.668 1.00 1.13 C ATOM 1084 OD1 ASP B 11 4.668 0.766 13.487 1.00 1.86 O ATOM 1085 OD2 ASP B 11 3.203 0.046 12.026 1.00 1.95 O ATOM 0 H ASP B 11 5.495 -0.865 10.053 1.00 0.20 H new ATOM 0 HA ASP B 11 6.866 -0.118 12.377 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.580 -1.998 11.769 1.00 0.26 H new ATOM 0 HB3 ASP B 11 5.207 -1.858 13.400 1.00 0.26 H new ATOM 1090 N GLU B 12 6.905 -3.391 12.084 1.00 0.25 N ATOM 1091 CA GLU B 12 7.717 -4.602 12.184 1.00 0.28 C ATOM 1092 C GLU B 12 7.142 -5.693 11.287 1.00 0.28 C ATOM 1093 O GLU B 12 7.865 -6.370 10.557 1.00 0.32 O ATOM 1094 CB GLU B 12 7.745 -5.121 13.625 1.00 0.31 C ATOM 1095 CG GLU B 12 8.154 -4.091 14.660 1.00 0.35 C ATOM 1096 CD GLU B 12 8.127 -4.644 16.065 1.00 0.38 C ATOM 1097 OE1 GLU B 12 9.123 -5.277 16.479 1.00 1.11 O ATOM 1098 OE2 GLU B 12 7.112 -4.449 16.768 1.00 1.20 O ATOM 0 H GLU B 12 5.912 -3.566 11.933 1.00 0.25 H new ATOM 0 HA GLU B 12 8.730 -4.352 11.869 1.00 0.28 H new ATOM 0 HB2 GLU B 12 6.755 -5.500 13.880 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.433 -5.965 13.680 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.158 -3.731 14.433 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.486 -3.232 14.598 1.00 0.35 H new ATOM 1105 N LEU B 13 5.825 -5.856 11.362 1.00 0.26 N ATOM 1106 CA LEU B 13 5.121 -6.889 10.606 1.00 0.25 C ATOM 1107 C LEU B 13 5.075 -6.548 9.125 1.00 0.21 C ATOM 1108 O LEU B 13 5.012 -7.426 8.269 1.00 0.24 O ATOM 1109 CB LEU B 13 3.683 -7.007 11.106 1.00 0.27 C ATOM 1110 CG LEU B 13 3.510 -7.156 12.612 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.040 -7.024 12.976 1.00 0.64 C ATOM 1112 CD2 LEU B 13 4.065 -8.490 13.084 1.00 0.62 C ATOM 0 H LEU B 13 5.217 -5.280 11.945 1.00 0.26 H new ATOM 0 HA LEU B 13 5.659 -7.826 10.748 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.133 -6.123 10.783 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.220 -7.866 10.620 1.00 0.27 H new ATOM 0 HG LEU B 13 4.068 -6.365 13.113 1.00 0.32 H new ATOM 0 HD11 LEU B 13 1.921 -7.131 14.054 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.675 -6.045 12.666 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.468 -7.801 12.469 1.00 0.64 H new ATOM 0 HD21 LEU B 13 3.932 -8.578 14.162 1.00 0.62 H new ATOM 0 HD22 LEU B 13 3.535 -9.302 12.586 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.126 -8.548 12.843 1.00 0.62 H new ATOM 1124 N GLY B 14 5.104 -5.262 8.841 1.00 0.17 N ATOM 1125 CA GLY B 14 4.848 -4.786 7.501 1.00 0.14 C ATOM 1126 C GLY B 14 3.771 -3.727 7.514 1.00 0.10 C ATOM 1127 O GLY B 14 3.366 -3.216 6.474 1.00 0.09 O ATOM 0 H GLY B 14 5.303 -4.529 9.522 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.763 -4.377 7.073 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.542 -5.617 6.866 1.00 0.14 H new ATOM 1131 N ARG B 15 3.310 -3.394 8.712 1.00 0.10 N ATOM 1132 CA ARG B 15 2.274 -2.394 8.878 1.00 0.10 C ATOM 1133 C ARG B 15 2.851 -1.004 8.647 1.00 0.09 C ATOM 1134 O ARG B 15 3.894 -0.661 9.205 1.00 0.12 O ATOM 1135 CB ARG B 15 1.665 -2.461 10.286 1.00 0.17 C ATOM 1136 CG ARG B 15 1.163 -3.838 10.690 1.00 0.23 C ATOM 1137 CD ARG B 15 0.091 -3.748 11.763 1.00 0.42 C ATOM 1138 NE ARG B 15 -1.178 -3.246 11.229 1.00 1.48 N ATOM 1139 CZ ARG B 15 -2.010 -2.449 11.901 1.00 1.80 C ATOM 1140 NH1 ARG B 15 -1.708 -2.046 13.128 1.00 1.45 N ATOM 1141 NH2 ARG B 15 -3.154 -2.063 11.349 1.00 2.89 N ATOM 0 H ARG B 15 3.641 -3.806 9.584 1.00 0.10 H new ATOM 0 HA ARG B 15 1.491 -2.595 8.147 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.414 -2.135 11.008 1.00 0.17 H new ATOM 0 HB3 ARG B 15 0.837 -1.755 10.344 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.762 -4.351 9.816 1.00 0.23 H new ATOM 0 HG3 ARG B 15 1.997 -4.437 11.057 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.065 -4.733 12.203 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.433 -3.092 12.563 1.00 0.42 H new ATOM 0 HE ARG B 15 -1.442 -3.524 10.284 1.00 1.48 H new ATOM 0 HH11 ARG B 15 -0.835 -2.346 13.563 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -2.348 -1.437 13.637 1.00 1.45 H new ATOM 0 HH21 ARG B 15 -3.398 -2.376 10.409 1.00 2.89 H new ATOM 0 HH22 ARG B 15 -3.789 -1.454 11.865 1.00 2.89 H new ATOM 1155 N ILE B 16 2.194 -0.223 7.804 1.00 0.09 N ATOM 1156 CA ILE B 16 2.605 1.150 7.550 1.00 0.09 C ATOM 1157 C ILE B 16 1.368 2.045 7.529 1.00 0.09 C ATOM 1158 O ILE B 16 0.248 1.569 7.710 1.00 0.10 O ATOM 1159 CB ILE B 16 3.405 1.301 6.225 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.467 1.412 5.022 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.378 0.143 6.039 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.173 1.315 3.687 1.00 0.12 C ATOM 0 H ILE B 16 1.369 -0.518 7.281 1.00 0.09 H new ATOM 0 HA ILE B 16 3.277 1.452 8.353 1.00 0.09 H new ATOM 0 HB ILE B 16 3.981 2.224 6.292 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.717 0.624 5.084 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.936 2.362 5.074 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.924 0.273 5.105 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.082 0.122 6.871 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.825 -0.796 6.008 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.443 1.402 2.882 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.904 2.119 3.603 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.681 0.354 3.613 1.00 0.12 H new ATOM 1174 N VAL B 17 1.561 3.328 7.294 1.00 0.09 N ATOM 1175 CA VAL B 17 0.461 4.272 7.365 1.00 0.09 C ATOM 1176 C VAL B 17 0.135 4.823 5.985 1.00 0.09 C ATOM 1177 O VAL B 17 0.912 5.573 5.393 1.00 0.13 O ATOM 1178 CB VAL B 17 0.744 5.429 8.364 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.144 5.998 8.176 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.310 6.530 8.241 1.00 0.11 C ATOM 0 H VAL B 17 2.463 3.740 7.054 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.406 3.727 7.739 1.00 0.09 H new ATOM 0 HB VAL B 17 0.687 5.014 9.370 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.308 6.805 8.891 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.881 5.212 8.341 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.246 6.385 7.162 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.088 7.327 8.951 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.299 6.933 7.228 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.295 6.116 8.456 1.00 0.11 H new ATOM 1190 N MET B 18 -1.009 4.425 5.464 1.00 0.09 N ATOM 1191 CA MET B 18 -1.467 4.940 4.185 1.00 0.09 C ATOM 1192 C MET B 18 -2.192 6.253 4.439 1.00 0.08 C ATOM 1193 O MET B 18 -2.915 6.379 5.426 1.00 0.15 O ATOM 1194 CB MET B 18 -2.378 3.932 3.472 1.00 0.17 C ATOM 1195 CG MET B 18 -1.826 2.510 3.457 1.00 0.20 C ATOM 1196 SD MET B 18 -0.137 2.413 2.826 1.00 0.90 S ATOM 1197 CE MET B 18 -0.348 2.905 1.117 1.00 0.50 C ATOM 0 H MET B 18 -1.637 3.751 5.902 1.00 0.09 H new ATOM 0 HA MET B 18 -0.614 5.107 3.527 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.353 3.929 3.960 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.536 4.262 2.445 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.853 2.105 4.469 1.00 0.20 H new ATOM 0 HG3 MET B 18 -2.473 1.882 2.845 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.612 2.854 0.603 1.00 0.50 H new ATOM 0 HE2 MET B 18 -1.057 2.235 0.630 1.00 0.50 H new ATOM 0 HE3 MET B 18 -0.728 3.926 1.077 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.010 7.259 3.580 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.426 8.604 3.899 1.00 0.11 C ATOM 1209 C PRO B 19 -3.894 8.875 3.598 1.00 0.12 C ATOM 1210 O PRO B 19 -4.581 8.090 2.925 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.514 9.473 3.029 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.048 8.602 1.904 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.433 7.171 2.232 1.00 0.14 C ATOM 0 HA PRO B 19 -2.339 8.805 4.967 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.052 10.342 2.650 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.669 9.848 3.606 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.505 8.914 0.965 1.00 0.19 H new ATOM 0 HG3 PRO B 19 0.031 8.687 1.777 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.153 6.777 1.515 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.567 6.510 2.211 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.376 9.987 4.128 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.705 10.482 3.820 1.00 0.17 C ATOM 1223 C ILE B 20 -5.935 10.524 2.312 1.00 0.16 C ATOM 1224 O ILE B 20 -7.044 10.304 1.849 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.913 11.887 4.409 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.258 12.471 3.963 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.749 12.799 4.026 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.458 11.805 4.602 1.00 0.27 C ATOM 0 H ILE B 20 -3.856 10.571 4.783 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.424 9.797 4.269 1.00 0.17 H new ATOM 0 HB ILE B 20 -5.936 11.811 5.496 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.277 13.535 4.199 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.340 12.383 2.880 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -4.909 13.791 4.449 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.819 12.384 4.414 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.687 12.874 2.940 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.372 12.274 4.236 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.466 10.746 4.346 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.402 11.916 5.685 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.871 10.785 1.558 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.922 10.782 0.099 1.00 0.18 C ATOM 1242 C GLU B 21 -5.515 9.479 -0.406 1.00 0.14 C ATOM 1243 O GLU B 21 -6.311 9.466 -1.336 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.513 10.906 -0.458 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.599 11.745 0.410 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.406 13.142 -0.137 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -1.524 13.331 -1.002 1.00 0.98 O ATOM 1248 OE2 GLU B 21 -3.144 14.054 0.283 1.00 1.23 O ATOM 0 H GLU B 21 -3.951 11.004 1.940 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.539 11.620 -0.226 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.084 9.910 -0.569 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.561 11.345 -1.454 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -3.013 11.806 1.416 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.630 11.253 0.494 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.130 8.390 0.248 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.585 7.065 -0.126 1.00 0.13 C ATOM 1257 C LEU B 22 -7.032 6.894 0.274 1.00 0.14 C ATOM 1258 O LEU B 22 -7.831 6.318 -0.462 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.709 5.991 0.535 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.441 4.726 1.001 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.608 3.491 0.699 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.739 4.805 2.494 1.00 0.21 C ATOM 0 H LEU B 22 -4.497 8.404 1.048 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.502 6.950 -1.207 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.931 5.699 -0.170 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.209 6.436 1.395 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.384 4.653 0.459 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.141 2.602 1.036 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.432 3.424 -0.375 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.653 3.560 1.219 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.259 3.900 2.810 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -4.804 4.898 3.047 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.367 5.673 2.694 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.360 7.404 1.449 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.727 7.360 1.935 1.00 0.19 C ATOM 1276 C ARG B 23 -9.658 8.089 0.970 1.00 0.20 C ATOM 1277 O ARG B 23 -10.679 7.546 0.546 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.796 7.982 3.335 1.00 0.24 C ATOM 1279 CG ARG B 23 -7.885 7.291 4.344 1.00 0.28 C ATOM 1280 CD ARG B 23 -8.096 7.821 5.755 1.00 0.52 C ATOM 1281 NE ARG B 23 -7.007 8.688 6.204 1.00 0.83 N ATOM 1282 CZ ARG B 23 -7.166 9.687 7.074 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -8.369 9.972 7.558 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -6.119 10.409 7.462 1.00 1.75 N ATOM 0 H ARG B 23 -6.699 7.853 2.083 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.053 6.322 1.997 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.524 9.036 3.271 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -9.824 7.939 3.694 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.073 6.218 4.327 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -6.845 7.437 4.053 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -9.034 8.374 5.794 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -8.193 6.981 6.443 1.00 0.52 H new ATOM 0 HE ARG B 23 -6.073 8.519 5.831 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -9.179 9.426 7.265 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -8.483 10.737 8.223 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -5.191 10.200 7.094 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -6.244 11.172 8.127 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.282 9.322 0.649 1.00 0.21 N ATOM 1299 CA ARG B 24 -9.983 10.154 -0.328 1.00 0.23 C ATOM 1300 C ARG B 24 -10.076 9.464 -1.681 1.00 0.22 C ATOM 1301 O ARG B 24 -11.154 9.378 -2.271 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.243 11.485 -0.500 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.107 12.283 0.774 1.00 0.28 C ATOM 1304 CD ARG B 24 -7.971 13.288 0.674 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.162 14.267 -0.393 1.00 0.48 N ATOM 1306 CZ ARG B 24 -7.205 15.083 -0.837 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -5.988 15.045 -0.303 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -7.467 15.943 -1.813 1.00 1.00 N ATOM 0 H ARG B 24 -8.471 9.780 1.065 1.00 0.21 H new ATOM 0 HA ARG B 24 -10.992 10.326 0.045 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.249 11.287 -0.900 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.769 12.088 -1.240 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.041 12.805 0.981 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.927 11.609 1.611 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.872 13.811 1.625 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.036 12.754 0.505 1.00 0.32 H new ATOM 0 HE ARG B 24 -9.084 14.331 -0.825 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -5.782 14.389 0.451 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -5.260 15.672 -0.647 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -8.400 15.980 -2.223 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -6.735 16.567 -2.153 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.927 9.016 -2.179 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.843 8.306 -3.446 1.00 0.22 C ATOM 1324 C ALA B 25 -9.865 7.184 -3.536 1.00 0.23 C ATOM 1325 O ALA B 25 -10.623 7.089 -4.503 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.453 7.718 -3.607 1.00 0.22 C ATOM 0 H ALA B 25 -8.028 9.137 -1.713 1.00 0.21 H new ATOM 0 HA ALA B 25 -9.052 9.023 -4.240 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.391 7.186 -4.556 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.715 8.520 -3.591 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.254 7.025 -2.789 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.885 6.347 -2.515 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.734 5.176 -2.512 1.00 0.28 C ATOM 1334 C LEU B 26 -12.099 5.503 -1.910 1.00 0.30 C ATOM 1335 O LEU B 26 -12.930 6.146 -2.553 1.00 0.37 O ATOM 1336 CB LEU B 26 -10.066 4.042 -1.736 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.642 3.701 -2.176 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -8.068 2.577 -1.327 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.618 3.321 -3.642 1.00 0.35 C ATOM 0 H LEU B 26 -9.319 6.460 -1.674 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.883 4.854 -3.542 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.048 4.308 -0.679 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.682 3.148 -1.830 1.00 0.27 H new ATOM 0 HG LEU B 26 -8.021 4.586 -2.035 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -7.054 2.352 -1.659 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.048 2.885 -0.281 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.690 1.688 -1.432 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.597 3.081 -3.939 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -9.256 2.452 -3.803 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -8.983 4.156 -4.240 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.309 5.088 -0.664 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.589 5.279 0.022 1.00 0.36 C ATOM 1353 C ASP B 27 -13.387 5.305 1.531 1.00 0.42 C ATOM 1354 O ASP B 27 -14.360 5.296 2.289 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.575 4.140 -0.283 1.00 0.45 C ATOM 1356 CG ASP B 27 -15.089 4.093 -1.706 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.097 4.772 -2.000 1.00 1.77 O ATOM 1358 OD2 ASP B 27 -14.525 3.338 -2.524 1.00 1.57 O ATOM 0 H ASP B 27 -11.603 4.612 -0.102 1.00 0.32 H new ATOM 0 HA ASP B 27 -13.993 6.225 -0.337 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.089 3.191 -0.058 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -15.427 4.229 0.391 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.134 5.368 1.970 1.00 0.28 N ATOM 1364 CA ILE B 28 -11.794 5.003 3.348 1.00 0.29 C ATOM 1365 C ILE B 28 -12.431 5.951 4.350 1.00 0.32 C ATOM 1366 O ILE B 28 -12.226 7.165 4.301 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.262 4.938 3.616 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.592 3.742 2.920 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -9.996 4.842 5.115 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -9.943 3.577 1.468 1.00 0.28 C ATOM 0 H ILE B 28 -11.341 5.665 1.401 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.196 3.999 3.479 1.00 0.29 H new ATOM 0 HB ILE B 28 -9.834 5.853 3.206 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.511 3.848 3.008 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -9.867 2.831 3.451 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -8.921 4.797 5.292 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.410 5.718 5.615 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.467 3.942 5.511 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.423 2.708 1.064 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.019 3.435 1.368 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.642 4.468 0.917 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.200 5.372 5.258 1.00 0.38 N ATOM 1383 CA ALA B 29 -13.853 6.128 6.302 1.00 0.40 C ATOM 1384 C ALA B 29 -13.059 6.033 7.593 1.00 0.39 C ATOM 1385 O ALA B 29 -12.717 7.043 8.207 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.271 5.621 6.499 1.00 0.39 C ATOM 0 H ALA B 29 -13.385 4.369 5.288 1.00 0.38 H new ATOM 0 HA ALA B 29 -13.900 7.177 6.009 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -15.757 6.196 7.288 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -15.830 5.734 5.570 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.245 4.568 6.781 1.00 0.39 H new ATOM 1392 N ILE B 30 -12.751 4.805 7.990 1.00 0.35 N ATOM 1393 CA ILE B 30 -11.963 4.559 9.191 1.00 0.36 C ATOM 1394 C ILE B 30 -11.245 3.213 9.080 1.00 0.37 C ATOM 1395 O ILE B 30 -10.102 3.083 9.498 1.00 0.47 O ATOM 1396 CB ILE B 30 -12.843 4.637 10.471 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -11.994 4.537 11.751 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -13.935 3.574 10.454 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.768 3.128 12.263 1.00 0.39 C ATOM 0 H ILE B 30 -13.036 3.960 7.495 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.209 5.341 9.278 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.325 5.615 10.474 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.025 4.999 11.563 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.477 5.119 12.536 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.534 3.653 11.361 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.574 3.722 9.583 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.479 2.585 10.405 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.160 3.163 13.167 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.728 2.665 12.489 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.253 2.542 11.501 1.00 0.39 H new ATOM 1411 N LYS B 31 -11.916 2.219 8.503 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.282 0.935 8.212 1.00 0.37 C ATOM 1413 C LYS B 31 -11.444 0.604 6.732 1.00 0.36 C ATOM 1414 O LYS B 31 -10.495 0.188 6.065 1.00 0.52 O ATOM 1415 CB LYS B 31 -11.886 -0.190 9.064 1.00 0.40 C ATOM 1416 CG LYS B 31 -11.924 0.111 10.555 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.015 -1.159 11.386 1.00 0.32 C ATOM 1418 CE LYS B 31 -10.681 -1.894 11.421 1.00 0.33 C ATOM 1419 NZ LYS B 31 -10.738 -3.127 12.251 1.00 0.39 N ATOM 0 H LYS B 31 -12.897 2.277 8.228 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.223 1.016 8.457 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -12.901 -0.388 8.718 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.311 -1.102 8.903 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -11.029 0.666 10.837 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.778 0.751 10.775 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.322 -0.910 12.402 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -12.782 -1.813 10.972 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -10.386 -2.156 10.405 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -9.912 -1.229 11.815 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -9.808 -3.593 12.245 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -10.993 -2.877 13.228 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -11.452 -3.775 11.862 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.657 0.817 6.243 1.00 0.24 N ATOM 1434 CA ASP B 32 -13.020 0.603 4.841 1.00 0.23 C ATOM 1435 C ASP B 32 -12.592 -0.771 4.303 1.00 0.34 C ATOM 1436 O ASP B 32 -13.173 -1.780 4.692 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.463 1.717 3.966 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.410 2.052 2.843 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.628 2.131 3.097 1.00 1.83 O ATOM 1440 OD2 ASP B 32 -12.953 2.217 1.704 1.00 1.79 O ATOM 0 H ASP B 32 -13.433 1.149 6.815 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.109 0.623 4.801 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.285 2.605 4.572 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.500 1.413 3.555 1.00 0.26 H new ATOM 1445 N SER B 33 -11.546 -0.804 3.455 1.00 0.23 N ATOM 1446 CA SER B 33 -11.117 -2.010 2.720 1.00 0.17 C ATOM 1447 C SER B 33 -9.986 -1.646 1.759 1.00 0.17 C ATOM 1448 O SER B 33 -10.162 -0.775 0.913 1.00 0.24 O ATOM 1449 CB SER B 33 -12.243 -2.612 1.867 1.00 0.18 C ATOM 1450 OG SER B 33 -13.264 -3.208 2.644 1.00 0.22 O ATOM 0 H SER B 33 -10.969 0.014 3.259 1.00 0.23 H new ATOM 0 HA SER B 33 -10.806 -2.736 3.471 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.677 -1.830 1.244 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.822 -3.359 1.194 1.00 0.18 H new ATOM 0 HG SER B 33 -13.103 -3.024 3.593 1.00 0.22 H new ATOM 1456 N ILE B 34 -8.828 -2.281 1.881 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.776 -2.092 0.884 1.00 0.16 C ATOM 1458 C ILE B 34 -7.170 -3.430 0.466 1.00 0.14 C ATOM 1459 O ILE B 34 -6.578 -4.124 1.279 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.629 -1.175 1.371 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.148 0.089 2.060 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -5.752 -0.792 0.199 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.350 -0.079 3.548 1.00 0.40 C ATOM 0 H ILE B 34 -8.593 -2.919 2.642 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.265 -1.609 0.038 1.00 0.16 H new ATOM 0 HB ILE B 34 -6.052 -1.735 2.107 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.445 0.904 1.886 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.094 0.381 1.603 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -4.945 -0.146 0.544 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.330 -1.692 -0.249 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.348 -0.262 -0.544 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -7.719 0.855 3.973 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -8.076 -0.872 3.729 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.401 -0.341 4.017 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.297 -3.766 -0.806 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.747 -5.012 -1.329 1.00 0.13 C ATOM 1477 C GLU B 35 -5.525 -4.700 -2.189 1.00 0.12 C ATOM 1478 O GLU B 35 -5.567 -3.771 -3.009 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.797 -5.773 -2.151 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.281 -7.086 -2.731 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.264 -7.750 -3.678 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -9.447 -7.347 -3.692 1.00 1.24 O ATOM 1483 OE2 GLU B 35 -7.850 -8.667 -4.425 1.00 1.21 O ATOM 0 H GLU B 35 -7.777 -3.194 -1.500 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.453 -5.647 -0.493 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.662 -5.979 -1.520 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.141 -5.136 -2.965 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.347 -6.899 -3.260 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.054 -7.772 -1.915 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.432 -5.450 -2.012 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.200 -5.124 -2.741 1.00 0.11 C ATOM 1492 C PHE B 36 -2.746 -6.207 -3.726 1.00 0.13 C ATOM 1493 O PHE B 36 -3.006 -7.401 -3.566 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.029 -4.753 -1.817 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.354 -4.691 -0.355 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.149 -3.677 0.148 1.00 1.22 C ATOM 1497 CD2 PHE B 36 -1.850 -5.637 0.518 1.00 1.14 C ATOM 1498 CE1 PHE B 36 -3.437 -3.609 1.493 1.00 1.29 C ATOM 1499 CE2 PHE B 36 -2.132 -5.573 1.867 1.00 1.13 C ATOM 1500 CZ PHE B 36 -2.928 -4.559 2.354 1.00 0.37 C ATOM 0 H PHE B 36 -4.372 -6.259 -1.394 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.480 -4.246 -3.323 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.230 -5.480 -1.963 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.639 -3.783 -2.126 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.549 -2.930 -0.522 1.00 1.22 H new ATOM 0 HD2 PHE B 36 -1.228 -6.435 0.140 1.00 1.14 H new ATOM 0 HE1 PHE B 36 -4.060 -2.813 1.873 1.00 1.29 H new ATOM 0 HE2 PHE B 36 -1.730 -6.316 2.540 1.00 1.13 H new ATOM 0 HZ PHE B 36 -3.153 -4.508 3.409 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.061 -5.716 -4.753 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.510 -6.490 -5.863 1.00 0.17 C ATOM 1512 C PHE B 37 -0.015 -6.232 -5.889 1.00 0.15 C ATOM 1513 O PHE B 37 0.432 -5.200 -5.401 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.184 -5.986 -7.157 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.865 -6.720 -8.432 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.696 -6.459 -9.133 1.00 1.22 C ATOM 1517 CD2 PHE B 37 -2.758 -7.646 -8.953 1.00 1.17 C ATOM 1518 CE1 PHE B 37 -0.422 -7.110 -10.321 1.00 1.22 C ATOM 1519 CE2 PHE B 37 -2.492 -8.296 -10.145 1.00 1.21 C ATOM 1520 CZ PHE B 37 -1.321 -8.030 -10.827 1.00 0.36 C ATOM 0 H PHE B 37 -1.865 -4.719 -4.840 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.689 -7.561 -5.763 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.264 -6.019 -7.010 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -1.912 -4.939 -7.293 1.00 0.21 H new ATOM 0 HD1 PHE B 37 0.009 -5.738 -8.745 1.00 1.22 H new ATOM 0 HD2 PHE B 37 -3.673 -7.862 -8.421 1.00 1.17 H new ATOM 0 HE1 PHE B 37 0.494 -6.900 -10.854 1.00 1.22 H new ATOM 0 HE2 PHE B 37 -3.199 -9.010 -10.541 1.00 1.21 H new ATOM 0 HZ PHE B 37 -1.108 -8.540 -11.755 1.00 0.36 H new ATOM 1530 N VAL B 38 0.758 -7.157 -6.411 1.00 0.18 N ATOM 1531 CA VAL B 38 2.193 -6.949 -6.505 1.00 0.18 C ATOM 1532 C VAL B 38 2.669 -7.155 -7.933 1.00 0.24 C ATOM 1533 O VAL B 38 2.305 -8.128 -8.593 1.00 0.30 O ATOM 1534 CB VAL B 38 2.982 -7.850 -5.527 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.647 -9.321 -5.720 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.478 -7.623 -5.664 1.00 0.25 C ATOM 0 H VAL B 38 0.427 -8.051 -6.774 1.00 0.18 H new ATOM 0 HA VAL B 38 2.389 -5.917 -6.214 1.00 0.18 H new ATOM 0 HB VAL B 38 2.680 -7.571 -4.518 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.222 -9.921 -5.014 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.582 -9.478 -5.546 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.896 -9.620 -6.738 1.00 0.34 H new ATOM 0 HG21 VAL B 38 5.010 -8.269 -4.965 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.790 -7.856 -6.682 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.710 -6.581 -5.443 1.00 0.25 H new ATOM 1546 N ASP B 39 3.472 -6.220 -8.403 1.00 0.27 N ATOM 1547 CA ASP B 39 3.923 -6.219 -9.785 1.00 0.34 C ATOM 1548 C ASP B 39 5.435 -6.073 -9.843 1.00 0.35 C ATOM 1549 O ASP B 39 5.959 -4.962 -9.813 1.00 0.30 O ATOM 1550 CB ASP B 39 3.241 -5.074 -10.545 1.00 0.35 C ATOM 1551 CG ASP B 39 3.720 -4.932 -11.974 1.00 0.52 C ATOM 1552 OD1 ASP B 39 3.481 -5.856 -12.778 1.00 1.35 O ATOM 1553 OD2 ASP B 39 4.297 -3.875 -12.307 1.00 1.08 O ATOM 0 H ASP B 39 3.829 -5.445 -7.844 1.00 0.27 H new ATOM 0 HA ASP B 39 3.653 -7.165 -10.254 1.00 0.34 H new ATOM 0 HB2 ASP B 39 2.164 -5.239 -10.545 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.420 -4.139 -10.015 1.00 0.35 H new ATOM 1558 N GLY B 40 6.126 -7.205 -9.901 1.00 0.43 N ATOM 1559 CA GLY B 40 7.578 -7.206 -9.918 1.00 0.48 C ATOM 1560 C GLY B 40 8.182 -6.637 -8.647 1.00 0.42 C ATOM 1561 O GLY B 40 8.486 -7.370 -7.707 1.00 0.47 O ATOM 0 H GLY B 40 5.702 -8.132 -9.937 1.00 0.43 H new ATOM 0 HA2 GLY B 40 7.934 -8.226 -10.059 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.927 -6.626 -10.772 1.00 0.48 H new ATOM 1565 N ASP B 41 8.338 -5.323 -8.623 1.00 0.34 N ATOM 1566 CA ASP B 41 8.892 -4.619 -7.474 1.00 0.31 C ATOM 1567 C ASP B 41 7.926 -3.516 -7.079 1.00 0.22 C ATOM 1568 O ASP B 41 8.314 -2.499 -6.508 1.00 0.26 O ATOM 1569 CB ASP B 41 10.256 -4.001 -7.809 1.00 0.38 C ATOM 1570 CG ASP B 41 11.223 -4.981 -8.443 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.795 -5.825 -7.723 1.00 1.81 O ATOM 1572 OD2 ASP B 41 11.421 -4.903 -9.674 1.00 1.74 O ATOM 0 H ASP B 41 8.084 -4.712 -9.400 1.00 0.34 H new ATOM 0 HA ASP B 41 9.032 -5.326 -6.656 1.00 0.31 H new ATOM 0 HB2 ASP B 41 10.109 -3.159 -8.485 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.700 -3.603 -6.897 1.00 0.38 H new ATOM 1577 N LYS B 42 6.663 -3.720 -7.417 1.00 0.18 N ATOM 1578 CA LYS B 42 5.628 -2.730 -7.185 1.00 0.13 C ATOM 1579 C LYS B 42 4.468 -3.318 -6.387 1.00 0.11 C ATOM 1580 O LYS B 42 4.260 -4.527 -6.378 1.00 0.15 O ATOM 1581 CB LYS B 42 5.124 -2.221 -8.537 1.00 0.12 C ATOM 1582 CG LYS B 42 3.751 -1.574 -8.483 1.00 0.14 C ATOM 1583 CD LYS B 42 3.127 -1.453 -9.867 1.00 0.33 C ATOM 1584 CE LYS B 42 4.090 -0.867 -10.887 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.633 -1.127 -12.278 1.00 0.55 N ATOM 0 H LYS B 42 6.328 -4.576 -7.859 1.00 0.18 H new ATOM 0 HA LYS B 42 6.048 -1.909 -6.604 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.839 -1.499 -8.931 1.00 0.12 H new ATOM 0 HB3 LYS B 42 5.094 -3.055 -9.239 1.00 0.12 H new ATOM 0 HG2 LYS B 42 3.097 -2.163 -7.840 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.833 -0.584 -8.034 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.801 -2.437 -10.203 1.00 0.33 H new ATOM 0 HD3 LYS B 42 2.238 -0.825 -9.808 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.182 0.207 -10.728 1.00 0.75 H new ATOM 0 HE3 LYS B 42 5.081 -1.296 -10.742 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 4.167 -0.525 -12.937 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 3.794 -2.127 -12.515 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 2.619 -0.911 -12.356 1.00 0.55 H new ATOM 1599 N ILE B 43 3.714 -2.446 -5.740 1.00 0.09 N ATOM 1600 CA ILE B 43 2.515 -2.834 -5.011 1.00 0.08 C ATOM 1601 C ILE B 43 1.347 -1.983 -5.502 1.00 0.06 C ATOM 1602 O ILE B 43 1.535 -0.831 -5.877 1.00 0.07 O ATOM 1603 CB ILE B 43 2.709 -2.661 -3.481 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.733 -3.667 -2.934 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.390 -2.784 -2.735 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.266 -5.106 -2.977 1.00 0.22 C ATOM 0 H ILE B 43 3.915 -1.447 -5.704 1.00 0.09 H new ATOM 0 HA ILE B 43 2.308 -3.888 -5.195 1.00 0.08 H new ATOM 0 HB ILE B 43 3.096 -1.655 -3.316 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.656 -3.578 -3.507 1.00 0.15 H new ATOM 0 HG13 ILE B 43 3.971 -3.404 -1.903 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.563 -2.658 -1.666 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.701 -2.015 -3.084 1.00 0.10 H new ATOM 0 HG23 ILE B 43 0.958 -3.768 -2.919 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.045 -5.753 -2.574 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.360 -5.213 -2.380 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.056 -5.390 -4.008 1.00 0.22 H new ATOM 1618 N ILE B 44 0.161 -2.558 -5.541 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.017 -1.865 -6.049 1.00 0.08 C ATOM 1620 C ILE B 44 -2.174 -2.003 -5.067 1.00 0.10 C ATOM 1621 O ILE B 44 -2.500 -3.106 -4.657 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.451 -2.443 -7.413 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.268 -2.461 -8.387 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.615 -1.647 -7.986 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.615 -2.988 -9.765 1.00 0.14 C ATOM 0 H ILE B 44 -0.018 -3.511 -5.225 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.757 -0.814 -6.171 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.785 -3.470 -7.264 1.00 0.11 H new ATOM 0 HG12 ILE B 44 0.125 -1.449 -8.484 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.529 -3.073 -7.964 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -2.907 -2.070 -8.948 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.460 -1.692 -7.299 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.313 -0.609 -8.123 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.274 -2.969 -10.396 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -0.980 -4.012 -9.682 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.389 -2.362 -10.210 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.832 -0.905 -4.725 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.887 -0.933 -3.722 1.00 0.09 C ATOM 1639 C LEU B 45 -5.200 -0.486 -4.332 1.00 0.12 C ATOM 1640 O LEU B 45 -5.214 0.345 -5.238 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.557 -0.022 -2.531 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.635 -0.616 -1.464 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.258 -0.885 -2.028 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.537 0.314 -0.264 1.00 0.26 C ATOM 0 H LEU B 45 -2.654 0.016 -5.127 1.00 0.08 H new ATOM 0 HA LEU B 45 -3.970 -1.960 -3.365 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.097 0.889 -2.913 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.492 0.270 -2.053 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.065 -1.564 -1.139 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.622 -1.307 -1.250 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.335 -1.590 -2.855 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.823 0.048 -2.386 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -1.877 -0.125 0.484 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.136 1.276 -0.581 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.528 0.458 0.166 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.289 -1.072 -3.863 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.624 -0.616 -4.233 1.00 0.19 C ATOM 1658 C LYS B 46 -8.630 -1.089 -3.201 1.00 0.19 C ATOM 1659 O LYS B 46 -8.466 -2.157 -2.619 1.00 0.34 O ATOM 1660 CB LYS B 46 -8.016 -1.073 -5.656 1.00 0.40 C ATOM 1661 CG LYS B 46 -8.019 -2.585 -5.901 1.00 0.92 C ATOM 1662 CD LYS B 46 -9.282 -3.262 -5.388 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.369 -4.716 -5.824 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.552 -5.404 -5.239 1.00 1.20 N ATOM 0 H LYS B 46 -6.277 -1.867 -3.224 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.622 0.474 -4.249 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -9.011 -0.687 -5.878 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.329 -0.612 -6.366 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -7.918 -2.776 -6.969 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -7.151 -3.029 -5.415 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -9.305 -3.208 -4.300 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -10.156 -2.722 -5.752 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -9.422 -4.766 -6.912 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.461 -5.239 -5.525 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.263 -5.928 -4.388 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -11.272 -4.699 -4.983 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -10.948 -6.066 -5.936 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.646 -0.281 -2.960 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.711 -0.650 -2.036 1.00 0.18 C ATOM 1680 C LYS B 47 -11.450 -1.858 -2.608 1.00 0.21 C ATOM 1681 O LYS B 47 -11.493 -2.041 -3.821 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.655 0.550 -1.832 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.506 0.516 -0.562 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.691 -0.427 -0.668 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.632 -0.289 0.518 1.00 0.42 C ATOM 1686 NZ LYS B 47 -15.180 1.087 0.637 1.00 0.76 N ATOM 0 H LYS B 47 -9.759 0.637 -3.390 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.304 -0.918 -1.061 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.057 1.461 -1.822 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.321 0.615 -2.692 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -11.882 0.214 0.279 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -12.867 1.522 -0.346 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.236 -0.223 -1.590 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.333 -1.455 -0.730 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.453 -0.998 0.414 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.101 -0.548 1.434 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -15.928 1.101 1.359 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.420 1.741 0.913 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -15.576 1.383 -0.278 1.00 0.76 H new ATOM 1700 N TYR B 48 -12.015 -2.679 -1.740 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.652 -3.923 -2.157 1.00 0.25 C ATOM 1702 C TYR B 48 -13.773 -3.651 -3.163 1.00 0.35 C ATOM 1703 O TYR B 48 -13.892 -4.343 -4.174 1.00 0.38 O ATOM 1704 CB TYR B 48 -13.208 -4.632 -0.926 1.00 0.33 C ATOM 1705 CG TYR B 48 -13.744 -6.021 -1.196 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.888 -7.112 -1.265 1.00 1.05 C ATOM 1707 CD2 TYR B 48 -15.105 -6.244 -1.373 1.00 1.30 C ATOM 1708 CE1 TYR B 48 -13.370 -8.385 -1.505 1.00 1.08 C ATOM 1709 CE2 TYR B 48 -15.595 -7.512 -1.611 1.00 1.37 C ATOM 1710 CZ TYR B 48 -14.723 -8.579 -1.677 1.00 0.63 C ATOM 1711 OH TYR B 48 -15.209 -9.845 -1.914 1.00 0.76 O ATOM 0 H TYR B 48 -12.047 -2.508 -0.735 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.912 -4.557 -2.645 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -12.422 -4.699 -0.174 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -14.006 -4.024 -0.500 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.827 -6.963 -1.129 1.00 1.05 H new ATOM 0 HD2 TYR B 48 -15.790 -5.411 -1.323 1.00 1.30 H new ATOM 0 HE1 TYR B 48 -12.690 -9.222 -1.557 1.00 1.08 H new ATOM 0 HE2 TYR B 48 -16.655 -7.668 -1.745 1.00 1.37 H new ATOM 0 HH TYR B 48 -16.184 -9.808 -2.011 1.00 0.76 H new