USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=12 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+ 168:sc= 0 (180deg=-0.11) USER MOD Single : A 18 MET CE :methyl -149:sc= -0.732 (180deg=-1.7) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 11:sc= 0.37 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= 0.14 (180deg=0.0168) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.0296 (180deg=-0.46) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 164:sc= -0.0639 (180deg=-0.336) USER MOD Single : B 18 MET CE :methyl -165:sc= -2.32! (180deg=-2.55) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 20:sc= 0.616 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 167:sc= 0.0159 (180deg=-0.337) USER MOD Single : B 47 LYS NZ :NH3+ -175:sc= -0.277 (180deg=-0.516) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ILE A 4 -1.558 -11.017 -4.289 1.00 0.31 N ATOM 54 CA ILE A 4 -1.587 -11.425 -2.901 1.00 0.29 C ATOM 55 C ILE A 4 -2.994 -11.864 -2.513 1.00 0.30 C ATOM 56 O ILE A 4 -3.175 -12.742 -1.669 1.00 0.36 O ATOM 57 CB ILE A 4 -1.137 -10.269 -1.985 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.189 -9.323 -2.737 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.453 -10.823 -0.745 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.234 -8.109 -1.937 1.00 0.27 C ATOM 0 HA ILE A 4 -0.899 -12.261 -2.777 1.00 0.29 H new ATOM 0 HB ILE A 4 -2.017 -9.703 -1.680 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.701 -9.878 -3.034 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.677 -8.990 -3.653 1.00 0.30 H new ATOM 0 HG21 ILE A 4 -0.139 -9.999 -0.104 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -1.149 -11.461 -0.200 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.419 -11.406 -1.040 1.00 0.32 H new ATOM 0 HD11 ILE A 4 0.902 -7.492 -2.538 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.647 -7.529 -1.663 1.00 0.27 H new ATOM 0 HD13 ILE A 4 0.752 -8.431 -1.034 1.00 0.27 H new ATOM 72 N GLY A 5 -3.984 -11.251 -3.159 1.00 0.32 N ATOM 73 CA GLY A 5 -5.372 -11.553 -2.860 1.00 0.35 C ATOM 74 C GLY A 5 -5.730 -11.187 -1.439 1.00 0.31 C ATOM 75 O GLY A 5 -6.488 -11.892 -0.772 1.00 0.42 O ATOM 0 H GLY A 5 -3.847 -10.549 -3.886 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -6.019 -11.011 -3.549 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.556 -12.616 -3.019 1.00 0.35 H new ATOM 79 N VAL A 6 -5.176 -10.080 -0.968 1.00 0.22 N ATOM 80 CA VAL A 6 -5.375 -9.667 0.411 1.00 0.21 C ATOM 81 C VAL A 6 -5.961 -8.266 0.501 1.00 0.20 C ATOM 82 O VAL A 6 -5.585 -7.364 -0.250 1.00 0.24 O ATOM 83 CB VAL A 6 -4.072 -9.718 1.235 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.606 -11.151 1.423 1.00 0.27 C ATOM 85 CG2 VAL A 6 -2.988 -8.884 0.581 1.00 0.19 C ATOM 0 H VAL A 6 -4.588 -9.454 -1.518 1.00 0.22 H new ATOM 0 HA VAL A 6 -6.082 -10.382 0.832 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.279 -9.297 2.219 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.686 -11.161 2.007 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.375 -11.718 1.948 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.422 -11.605 0.449 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -2.079 -8.935 1.180 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.786 -9.269 -0.419 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.319 -7.848 0.511 1.00 0.19 H new ATOM 95 N VAL A 7 -6.871 -8.113 1.446 1.00 0.17 N ATOM 96 CA VAL A 7 -7.532 -6.847 1.703 1.00 0.16 C ATOM 97 C VAL A 7 -7.409 -6.500 3.183 1.00 0.19 C ATOM 98 O VAL A 7 -7.553 -7.364 4.047 1.00 0.29 O ATOM 99 CB VAL A 7 -9.019 -6.872 1.266 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.756 -8.040 1.901 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.708 -5.556 1.599 1.00 0.16 C ATOM 0 H VAL A 7 -7.174 -8.869 2.060 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.040 -6.078 1.108 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.045 -7.004 0.184 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.797 -8.033 1.577 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.287 -8.975 1.595 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.713 -7.950 2.986 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.750 -5.600 1.282 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.663 -5.384 2.674 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.205 -4.740 1.079 1.00 0.16 H new ATOM 111 N ARG A 8 -7.133 -5.241 3.469 1.00 0.15 N ATOM 112 CA ARG A 8 -6.877 -4.796 4.824 1.00 0.16 C ATOM 113 C ARG A 8 -7.926 -3.800 5.250 1.00 0.15 C ATOM 114 O ARG A 8 -8.548 -3.149 4.411 1.00 0.16 O ATOM 115 CB ARG A 8 -5.497 -4.141 4.936 1.00 0.16 C ATOM 116 CG ARG A 8 -4.419 -5.043 5.513 1.00 0.25 C ATOM 117 CD ARG A 8 -4.312 -6.373 4.782 1.00 0.34 C ATOM 118 NE ARG A 8 -3.093 -7.096 5.153 1.00 0.81 N ATOM 119 CZ ARG A 8 -2.939 -8.422 5.086 1.00 0.85 C ATOM 120 NH1 ARG A 8 -3.933 -9.203 4.682 1.00 0.79 N ATOM 121 NH2 ARG A 8 -1.781 -8.971 5.434 1.00 1.43 N ATOM 0 H ARG A 8 -7.080 -4.501 2.769 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.909 -5.671 5.473 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.184 -3.809 3.946 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.580 -3.251 5.559 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.459 -4.530 5.467 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.631 -5.228 6.566 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.183 -6.986 5.012 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.319 -6.199 3.706 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.302 -6.546 5.488 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -4.829 -8.793 4.418 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -3.801 -10.213 4.636 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -1.012 -8.381 5.751 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -1.661 -9.983 5.384 1.00 1.43 H new ATOM 135 N LYS A 9 -8.145 -3.710 6.542 1.00 0.17 N ATOM 136 CA LYS A 9 -8.964 -2.653 7.087 1.00 0.18 C ATOM 137 C LYS A 9 -8.082 -1.659 7.826 1.00 0.20 C ATOM 138 O LYS A 9 -7.272 -2.045 8.671 1.00 0.24 O ATOM 139 CB LYS A 9 -10.038 -3.214 8.022 1.00 0.20 C ATOM 140 CG LYS A 9 -10.930 -4.278 7.387 1.00 0.21 C ATOM 141 CD LYS A 9 -11.520 -3.813 6.064 1.00 0.23 C ATOM 142 CE LYS A 9 -12.587 -4.769 5.550 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.826 -4.717 6.370 1.00 1.22 N ATOM 0 H LYS A 9 -7.767 -4.356 7.235 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.472 -2.146 6.267 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.552 -3.640 8.900 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.664 -2.393 8.371 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.351 -5.187 7.226 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.737 -4.532 8.074 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -11.952 -2.820 6.188 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.725 -3.724 5.323 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.827 -4.522 4.516 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -12.194 -5.786 5.552 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -14.590 -5.222 5.877 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -13.652 -5.167 7.291 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -14.104 -3.726 6.516 1.00 1.22 H new ATOM 157 N VAL A 10 -8.230 -0.389 7.479 1.00 0.19 N ATOM 158 CA VAL A 10 -7.467 0.693 8.092 1.00 0.19 C ATOM 159 C VAL A 10 -7.643 0.712 9.612 1.00 0.20 C ATOM 160 O VAL A 10 -8.704 0.344 10.118 1.00 0.22 O ATOM 161 CB VAL A 10 -7.911 2.048 7.492 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.394 3.220 8.301 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.451 2.168 6.050 1.00 0.24 C ATOM 0 H VAL A 10 -8.885 -0.077 6.762 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.411 0.526 7.880 1.00 0.19 H new ATOM 0 HB VAL A 10 -9.000 2.075 7.525 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.728 4.152 7.846 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -7.777 3.156 9.320 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.304 3.196 8.321 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.772 3.127 5.644 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.364 2.102 6.008 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -7.886 1.361 5.461 1.00 0.24 H new ATOM 173 N ASP A 11 -6.582 1.085 10.336 1.00 0.21 N ATOM 174 CA ASP A 11 -6.685 1.317 11.778 1.00 0.24 C ATOM 175 C ASP A 11 -7.771 2.341 12.056 1.00 0.25 C ATOM 176 O ASP A 11 -8.904 1.993 12.376 1.00 0.33 O ATOM 177 CB ASP A 11 -5.368 1.844 12.369 1.00 0.30 C ATOM 178 CG ASP A 11 -4.353 0.764 12.683 1.00 1.07 C ATOM 179 OD1 ASP A 11 -4.754 -0.330 13.132 1.00 1.75 O ATOM 180 OD2 ASP A 11 -3.144 1.024 12.513 1.00 1.88 O ATOM 0 H ASP A 11 -5.650 1.231 9.949 1.00 0.21 H new ATOM 0 HA ASP A 11 -6.921 0.360 12.243 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.925 2.551 11.667 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -5.588 2.397 13.282 1.00 0.30 H new ATOM 185 N GLU A 12 -7.388 3.607 11.936 1.00 0.26 N ATOM 186 CA GLU A 12 -8.305 4.742 12.031 1.00 0.27 C ATOM 187 C GLU A 12 -7.728 5.896 11.221 1.00 0.26 C ATOM 188 O GLU A 12 -8.437 6.600 10.507 1.00 0.30 O ATOM 189 CB GLU A 12 -8.490 5.198 13.488 1.00 0.33 C ATOM 190 CG GLU A 12 -8.981 4.111 14.427 1.00 0.47 C ATOM 191 CD GLU A 12 -9.280 4.630 15.813 1.00 0.91 C ATOM 192 OE1 GLU A 12 -8.361 4.647 16.658 1.00 1.42 O ATOM 193 OE2 GLU A 12 -10.434 5.028 16.066 1.00 1.69 O ATOM 0 H GLU A 12 -6.420 3.880 11.768 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.278 4.437 11.646 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.539 5.580 13.860 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -9.197 6.027 13.510 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -9.881 3.657 14.012 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.228 3.325 14.492 1.00 0.47 H new ATOM 200 N LEU A 13 -6.416 6.054 11.351 1.00 0.24 N ATOM 201 CA LEU A 13 -5.667 7.116 10.685 1.00 0.26 C ATOM 202 C LEU A 13 -5.532 6.846 9.193 1.00 0.26 C ATOM 203 O LEU A 13 -5.654 7.747 8.366 1.00 0.55 O ATOM 204 CB LEU A 13 -4.267 7.185 11.294 1.00 0.40 C ATOM 205 CG LEU A 13 -4.207 7.188 12.821 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.796 6.868 13.284 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.660 8.533 13.370 1.00 0.55 C ATOM 0 H LEU A 13 -5.836 5.444 11.927 1.00 0.24 H new ATOM 0 HA LEU A 13 -6.204 8.055 10.822 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.690 6.336 10.928 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.776 8.086 10.928 1.00 0.40 H new ATOM 0 HG LEU A 13 -4.882 6.422 13.202 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.761 6.872 14.373 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.506 5.884 12.915 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -2.107 7.618 12.896 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.611 8.517 14.459 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -4.009 9.320 12.989 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.686 8.727 13.056 1.00 0.55 H new ATOM 219 N GLY A 14 -5.284 5.592 8.863 1.00 0.21 N ATOM 220 CA GLY A 14 -4.973 5.225 7.499 1.00 0.16 C ATOM 221 C GLY A 14 -3.936 4.127 7.452 1.00 0.12 C ATOM 222 O GLY A 14 -3.607 3.611 6.386 1.00 0.11 O ATOM 0 H GLY A 14 -5.292 4.813 9.522 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.880 4.894 6.993 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.607 6.098 6.959 1.00 0.16 H new ATOM 226 N ARG A 15 -3.431 3.755 8.624 1.00 0.12 N ATOM 227 CA ARG A 15 -2.412 2.722 8.711 1.00 0.13 C ATOM 228 C ARG A 15 -3.030 1.358 8.460 1.00 0.11 C ATOM 229 O ARG A 15 -4.100 1.049 8.989 1.00 0.13 O ATOM 230 CB ARG A 15 -1.743 2.697 10.082 1.00 0.17 C ATOM 231 CG ARG A 15 -1.492 4.058 10.703 1.00 0.21 C ATOM 232 CD ARG A 15 -0.563 3.932 11.900 1.00 0.28 C ATOM 233 NE ARG A 15 -0.848 2.722 12.673 1.00 1.31 N ATOM 234 CZ ARG A 15 0.049 1.773 12.957 1.00 1.71 C ATOM 235 NH1 ARG A 15 1.314 1.884 12.552 1.00 1.58 N ATOM 236 NH2 ARG A 15 -0.334 0.701 13.631 1.00 2.72 N ATOM 0 H ARG A 15 -3.711 4.153 9.521 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.661 2.951 7.955 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.365 2.114 10.762 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -0.791 2.174 9.994 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -1.053 4.727 9.963 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.437 4.503 11.014 1.00 0.21 H new ATOM 0 HD2 ARG A 15 0.472 3.912 11.559 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -0.671 4.808 12.540 1.00 0.28 H new ATOM 0 HE ARG A 15 -1.799 2.594 13.019 1.00 1.31 H new ATOM 0 HH11 ARG A 15 1.609 2.701 12.018 1.00 1.58 H new ATOM 0 HH12 ARG A 15 1.987 1.152 12.776 1.00 1.58 H new ATOM 0 HH21 ARG A 15 -1.305 0.605 13.928 1.00 2.72 H new ATOM 0 HH22 ARG A 15 0.342 -0.030 13.854 1.00 2.72 H new ATOM 250 N ILE A 16 -2.367 0.558 7.643 1.00 0.10 N ATOM 251 CA ILE A 16 -2.790 -0.810 7.405 1.00 0.10 C ATOM 252 C ILE A 16 -1.568 -1.714 7.459 1.00 0.09 C ATOM 253 O ILE A 16 -0.448 -1.243 7.665 1.00 0.10 O ATOM 254 CB ILE A 16 -3.539 -0.985 6.053 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.559 -1.159 4.894 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.468 0.193 5.794 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.214 -1.123 3.528 1.00 0.16 C ATOM 0 H ILE A 16 -1.529 0.835 7.131 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.503 -1.084 8.183 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.141 -1.891 6.123 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.806 -0.373 4.946 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.037 -2.109 5.011 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -4.981 0.049 4.843 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.203 0.260 6.596 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.886 1.114 5.757 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.455 -1.253 2.757 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.947 -1.926 3.455 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.712 -0.164 3.389 1.00 0.16 H new ATOM 269 N VAL A 17 -1.767 -2.998 7.262 1.00 0.09 N ATOM 270 CA VAL A 17 -0.684 -3.943 7.421 1.00 0.10 C ATOM 271 C VAL A 17 -0.318 -4.572 6.089 1.00 0.11 C ATOM 272 O VAL A 17 -1.027 -5.434 5.569 1.00 0.16 O ATOM 273 CB VAL A 17 -1.013 -5.029 8.481 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.372 -5.669 8.227 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.084 -6.087 8.532 1.00 0.16 C ATOM 0 H VAL A 17 -2.661 -3.410 6.994 1.00 0.09 H new ATOM 0 HA VAL A 17 0.181 -3.390 7.787 1.00 0.10 H new ATOM 0 HB VAL A 17 -1.060 -4.536 9.452 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.567 -6.424 8.989 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -3.148 -4.904 8.267 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.375 -6.138 7.243 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.168 -6.837 9.282 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.174 -6.565 7.557 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.031 -5.616 8.794 1.00 0.16 H new ATOM 285 N MET A 18 0.781 -4.112 5.521 1.00 0.09 N ATOM 286 CA MET A 18 1.278 -4.687 4.284 1.00 0.09 C ATOM 287 C MET A 18 1.960 -5.999 4.632 1.00 0.09 C ATOM 288 O MET A 18 2.558 -6.119 5.702 1.00 0.15 O ATOM 289 CB MET A 18 2.252 -3.737 3.573 1.00 0.12 C ATOM 290 CG MET A 18 1.809 -2.278 3.575 1.00 0.17 C ATOM 291 SD MET A 18 0.138 -2.040 2.935 1.00 0.84 S ATOM 292 CE MET A 18 0.318 -2.565 1.233 1.00 0.61 C ATOM 0 H MET A 18 1.344 -3.347 5.893 1.00 0.09 H new ATOM 0 HA MET A 18 0.451 -4.856 3.594 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.229 -3.810 4.051 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.377 -4.067 2.542 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.860 -1.891 4.593 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.507 -1.692 2.977 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.373 -2.004 0.604 1.00 0.61 H new ATOM 0 HE2 MET A 18 1.340 -2.382 0.902 1.00 0.61 H new ATOM 0 HE3 MET A 18 0.096 -3.629 1.155 1.00 0.61 H new ATOM 302 N PRO A 19 1.885 -7.008 3.766 1.00 0.09 N ATOM 303 CA PRO A 19 2.309 -8.336 4.126 1.00 0.11 C ATOM 304 C PRO A 19 3.803 -8.564 3.920 1.00 0.12 C ATOM 305 O PRO A 19 4.499 -7.785 3.246 1.00 0.12 O ATOM 306 CB PRO A 19 1.476 -9.224 3.198 1.00 0.13 C ATOM 307 CG PRO A 19 1.199 -8.394 1.987 1.00 0.14 C ATOM 308 CD PRO A 19 1.426 -6.942 2.370 1.00 0.12 C ATOM 0 HA PRO A 19 2.158 -8.542 5.186 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.018 -10.132 2.935 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.549 -9.534 3.681 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.856 -8.682 1.166 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.175 -8.545 1.644 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.170 -6.472 1.727 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.511 -6.358 2.278 1.00 0.12 H new ATOM 316 N ILE A 20 4.299 -9.626 4.536 1.00 0.16 N ATOM 317 CA ILE A 20 5.654 -10.088 4.306 1.00 0.18 C ATOM 318 C ILE A 20 5.925 -10.215 2.811 1.00 0.17 C ATOM 319 O ILE A 20 7.038 -9.986 2.360 1.00 0.18 O ATOM 320 CB ILE A 20 5.892 -11.446 5.005 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.293 -11.991 4.711 1.00 0.29 C ATOM 322 CG2 ILE A 20 4.827 -12.454 4.591 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.414 -11.152 5.280 1.00 0.32 C ATOM 0 H ILE A 20 3.774 -10.188 5.206 1.00 0.16 H new ATOM 0 HA ILE A 20 6.341 -9.355 4.728 1.00 0.18 H new ATOM 0 HB ILE A 20 5.820 -11.283 6.080 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.370 -13.001 5.113 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.422 -12.067 3.631 1.00 0.29 H new ATOM 0 HG21 ILE A 20 5.011 -13.404 5.093 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.843 -12.079 4.872 1.00 0.26 H new ATOM 0 HG23 ILE A 20 4.865 -12.601 3.512 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.372 -11.606 5.028 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.366 -10.148 4.859 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.313 -11.097 6.364 1.00 0.32 H new ATOM 335 N GLU A 21 4.885 -10.546 2.050 1.00 0.17 N ATOM 336 CA GLU A 21 4.979 -10.650 0.599 1.00 0.18 C ATOM 337 C GLU A 21 5.491 -9.353 0.004 1.00 0.16 C ATOM 338 O GLU A 21 6.271 -9.358 -0.939 1.00 0.18 O ATOM 339 CB GLU A 21 3.610 -10.938 0.010 1.00 0.21 C ATOM 340 CG GLU A 21 2.674 -11.624 0.986 1.00 0.20 C ATOM 341 CD GLU A 21 2.444 -13.083 0.658 1.00 0.35 C ATOM 342 OE1 GLU A 21 3.249 -13.927 1.100 1.00 1.27 O ATOM 343 OE2 GLU A 21 1.456 -13.397 -0.032 1.00 0.96 O ATOM 0 H GLU A 21 3.957 -10.749 2.422 1.00 0.17 H new ATOM 0 HA GLU A 21 5.670 -11.460 0.363 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.159 -10.002 -0.320 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.726 -11.565 -0.874 1.00 0.21 H new ATOM 0 HG2 GLU A 21 3.085 -11.544 1.992 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.717 -11.103 0.990 1.00 0.20 H new ATOM 350 N LEU A 22 5.051 -8.245 0.584 1.00 0.14 N ATOM 351 CA LEU A 22 5.448 -6.930 0.124 1.00 0.15 C ATOM 352 C LEU A 22 6.905 -6.694 0.459 1.00 0.15 C ATOM 353 O LEU A 22 7.674 -6.215 -0.369 1.00 0.16 O ATOM 354 CB LEU A 22 4.556 -5.847 0.754 1.00 0.18 C ATOM 355 CG LEU A 22 5.221 -4.485 0.997 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.253 -3.357 0.678 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.690 -4.375 2.446 1.00 0.32 C ATOM 0 H LEU A 22 4.414 -8.236 1.380 1.00 0.14 H new ATOM 0 HA LEU A 22 5.324 -6.876 -0.958 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.691 -5.697 0.109 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.182 -6.222 1.707 1.00 0.18 H new ATOM 0 HG LEU A 22 6.086 -4.402 0.339 1.00 0.23 H new ATOM 0 HD11 LEU A 22 4.740 -2.398 0.856 1.00 0.29 H new ATOM 0 HD12 LEU A 22 3.950 -3.422 -0.367 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.374 -3.441 1.316 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.160 -3.404 2.604 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.835 -4.477 3.114 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.411 -5.165 2.656 1.00 0.32 H new ATOM 369 N ARG A 23 7.284 -7.052 1.677 1.00 0.17 N ATOM 370 CA ARG A 23 8.669 -6.896 2.106 1.00 0.20 C ATOM 371 C ARG A 23 9.595 -7.725 1.224 1.00 0.21 C ATOM 372 O ARG A 23 10.627 -7.238 0.757 1.00 0.23 O ATOM 373 CB ARG A 23 8.827 -7.301 3.580 1.00 0.26 C ATOM 374 CG ARG A 23 7.976 -6.477 4.536 1.00 0.35 C ATOM 375 CD ARG A 23 8.376 -6.702 5.993 1.00 0.43 C ATOM 376 NE ARG A 23 7.775 -7.900 6.572 1.00 0.58 N ATOM 377 CZ ARG A 23 8.280 -8.562 7.620 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.439 -8.195 8.166 1.00 0.82 N ATOM 379 NH2 ARG A 23 7.618 -9.594 8.126 1.00 0.82 N ATOM 0 H ARG A 23 6.661 -7.449 2.380 1.00 0.17 H new ATOM 0 HA ARG A 23 8.944 -5.846 2.007 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.564 -8.353 3.689 1.00 0.26 H new ATOM 0 HB3 ARG A 23 9.875 -7.203 3.864 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.076 -5.420 4.291 1.00 0.35 H new ATOM 0 HG3 ARG A 23 6.926 -6.737 4.403 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.461 -6.779 6.058 1.00 0.43 H new ATOM 0 HD3 ARG A 23 8.082 -5.834 6.583 1.00 0.43 H new ATOM 0 HE ARG A 23 6.916 -8.255 6.151 1.00 0.58 H new ATOM 0 HH11 ARG A 23 9.953 -7.400 7.786 1.00 0.82 H new ATOM 0 HH12 ARG A 23 9.812 -8.709 8.964 1.00 0.82 H new ATOM 0 HH21 ARG A 23 6.729 -9.880 7.717 1.00 0.82 H new ATOM 0 HH22 ARG A 23 7.998 -10.102 8.925 1.00 0.82 H new ATOM 393 N ARG A 24 9.208 -8.973 1.015 1.00 0.21 N ATOM 394 CA ARG A 24 9.941 -9.901 0.160 1.00 0.24 C ATOM 395 C ARG A 24 10.029 -9.387 -1.271 1.00 0.23 C ATOM 396 O ARG A 24 11.123 -9.294 -1.833 1.00 0.25 O ATOM 397 CB ARG A 24 9.252 -11.262 0.181 1.00 0.25 C ATOM 398 CG ARG A 24 9.200 -11.882 1.563 1.00 0.29 C ATOM 399 CD ARG A 24 8.206 -13.033 1.629 1.00 0.33 C ATOM 400 NE ARG A 24 8.563 -14.147 0.756 1.00 0.45 N ATOM 401 CZ ARG A 24 7.919 -15.316 0.749 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.890 -15.520 1.561 1.00 0.87 N ATOM 403 NH2 ARG A 24 8.301 -16.286 -0.068 1.00 0.86 N ATOM 0 H ARG A 24 8.371 -9.376 1.436 1.00 0.21 H new ATOM 0 HA ARG A 24 10.957 -9.993 0.545 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.237 -11.154 -0.201 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.776 -11.938 -0.494 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.192 -12.242 1.838 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.924 -11.121 2.293 1.00 0.29 H new ATOM 0 HD2 ARG A 24 8.141 -13.391 2.657 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.216 -12.667 1.355 1.00 0.33 H new ATOM 0 HE ARG A 24 9.348 -14.025 0.116 1.00 0.45 H new ATOM 0 HH11 ARG A 24 6.587 -14.781 2.196 1.00 0.87 H new ATOM 0 HH12 ARG A 24 6.402 -16.416 1.551 1.00 0.87 H new ATOM 0 HH21 ARG A 24 9.091 -16.142 -0.696 1.00 0.86 H new ATOM 0 HH22 ARG A 24 7.805 -17.177 -0.069 1.00 0.86 H new ATOM 417 N ALA A 25 8.876 -9.055 -1.854 1.00 0.21 N ATOM 418 CA ALA A 25 8.817 -8.518 -3.209 1.00 0.23 C ATOM 419 C ALA A 25 9.761 -7.344 -3.381 1.00 0.24 C ATOM 420 O ALA A 25 10.508 -7.262 -4.354 1.00 0.27 O ATOM 421 CB ALA A 25 7.403 -8.076 -3.543 1.00 0.23 C ATOM 0 H ALA A 25 7.966 -9.151 -1.403 1.00 0.21 H new ATOM 0 HA ALA A 25 9.123 -9.314 -3.888 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.376 -7.678 -4.557 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.728 -8.929 -3.470 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.088 -7.303 -2.842 1.00 0.23 H new ATOM 427 N LEU A 26 9.726 -6.449 -2.416 1.00 0.24 N ATOM 428 CA LEU A 26 10.486 -5.222 -2.482 1.00 0.27 C ATOM 429 C LEU A 26 11.916 -5.414 -1.991 1.00 0.29 C ATOM 430 O LEU A 26 12.802 -5.778 -2.769 1.00 0.37 O ATOM 431 CB LEU A 26 9.762 -4.150 -1.668 1.00 0.24 C ATOM 432 CG LEU A 26 8.395 -3.735 -2.226 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.713 -2.734 -1.307 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.552 -3.145 -3.613 1.00 0.32 C ATOM 0 H LEU A 26 9.171 -6.553 -1.567 1.00 0.24 H new ATOM 0 HA LEU A 26 10.557 -4.906 -3.523 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.628 -4.515 -0.650 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.398 -3.267 -1.609 1.00 0.24 H new ATOM 0 HG LEU A 26 7.769 -4.625 -2.287 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.746 -2.456 -1.726 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.568 -3.183 -0.324 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.336 -1.845 -1.211 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.574 -2.855 -3.998 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.198 -2.268 -3.565 1.00 0.32 H new ATOM 0 HD23 LEU A 26 8.997 -3.887 -4.276 1.00 0.32 H new ATOM 446 N ASP A 27 12.127 -5.191 -0.700 1.00 0.27 N ATOM 447 CA ASP A 27 13.465 -5.250 -0.112 1.00 0.33 C ATOM 448 C ASP A 27 13.385 -4.941 1.381 1.00 0.37 C ATOM 449 O ASP A 27 14.400 -4.695 2.033 1.00 0.59 O ATOM 450 CB ASP A 27 14.385 -4.233 -0.807 1.00 0.40 C ATOM 451 CG ASP A 27 15.860 -4.544 -0.635 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.236 -5.732 -0.732 1.00 1.37 O ATOM 453 OD2 ASP A 27 16.656 -3.595 -0.454 1.00 1.10 O ATOM 0 H ASP A 27 11.387 -4.966 -0.035 1.00 0.27 H new ATOM 0 HA ASP A 27 13.873 -6.251 -0.249 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.148 -4.206 -1.871 1.00 0.40 H new ATOM 0 HB3 ASP A 27 14.182 -3.238 -0.410 1.00 0.40 H new ATOM 458 N ILE A 28 12.169 -4.989 1.927 1.00 0.28 N ATOM 459 CA ILE A 28 11.925 -4.524 3.292 1.00 0.29 C ATOM 460 C ILE A 28 12.407 -5.554 4.303 1.00 0.28 C ATOM 461 O ILE A 28 12.150 -6.750 4.153 1.00 0.29 O ATOM 462 CB ILE A 28 10.427 -4.209 3.571 1.00 0.31 C ATOM 463 CG1 ILE A 28 9.949 -2.947 2.841 1.00 0.33 C ATOM 464 CG2 ILE A 28 10.189 -4.040 5.065 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.951 -3.045 1.342 1.00 0.37 C ATOM 0 H ILE A 28 11.342 -5.344 1.447 1.00 0.28 H new ATOM 0 HA ILE A 28 12.486 -3.596 3.397 1.00 0.29 H new ATOM 0 HB ILE A 28 9.854 -5.056 3.193 1.00 0.31 H new ATOM 0 HG12 ILE A 28 8.938 -2.713 3.174 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.583 -2.111 3.137 1.00 0.33 H new ATOM 0 HG21 ILE A 28 9.136 -3.820 5.243 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.460 -4.960 5.583 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.800 -3.219 5.440 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.598 -2.106 0.916 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.964 -3.245 0.992 1.00 0.37 H new ATOM 0 HD13 ILE A 28 9.293 -3.856 1.029 1.00 0.37 H new ATOM 477 N ALA A 29 13.108 -5.086 5.327 1.00 0.31 N ATOM 478 CA ALA A 29 13.557 -5.959 6.393 1.00 0.33 C ATOM 479 C ALA A 29 12.658 -5.815 7.604 1.00 0.34 C ATOM 480 O ALA A 29 12.031 -6.776 8.049 1.00 0.43 O ATOM 481 CB ALA A 29 15.000 -5.662 6.765 1.00 0.34 C ATOM 0 H ALA A 29 13.376 -4.108 5.438 1.00 0.31 H new ATOM 0 HA ALA A 29 13.503 -6.988 6.037 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.314 -6.330 7.567 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.639 -5.814 5.895 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.084 -4.628 7.100 1.00 0.34 H new ATOM 487 N ILE A 30 12.567 -4.596 8.107 1.00 0.29 N ATOM 488 CA ILE A 30 11.806 -4.330 9.317 1.00 0.32 C ATOM 489 C ILE A 30 11.087 -2.989 9.197 1.00 0.34 C ATOM 490 O ILE A 30 9.985 -2.825 9.705 1.00 0.44 O ATOM 491 CB ILE A 30 12.726 -4.378 10.572 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.911 -4.417 11.879 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.709 -3.209 10.578 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.531 -3.061 12.436 1.00 0.39 C ATOM 0 H ILE A 30 13.010 -3.774 7.697 1.00 0.29 H new ATOM 0 HA ILE A 30 11.053 -5.108 9.440 1.00 0.32 H new ATOM 0 HB ILE A 30 13.298 -5.304 10.517 1.00 0.34 H new ATOM 0 HG12 ILE A 30 11.000 -4.990 11.705 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.486 -4.955 12.633 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.339 -3.268 11.466 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.334 -3.254 9.686 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.157 -2.269 10.587 1.00 0.31 H new ATOM 0 HD11 ILE A 30 10.960 -3.192 13.355 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.434 -2.489 12.648 1.00 0.39 H new ATOM 0 HD13 ILE A 30 10.925 -2.525 11.706 1.00 0.39 H new ATOM 506 N LYS A 31 11.712 -2.040 8.506 1.00 0.32 N ATOM 507 CA LYS A 31 11.097 -0.739 8.255 1.00 0.37 C ATOM 508 C LYS A 31 11.308 -0.331 6.797 1.00 0.37 C ATOM 509 O LYS A 31 10.379 0.104 6.117 1.00 0.57 O ATOM 510 CB LYS A 31 11.692 0.320 9.189 1.00 0.39 C ATOM 511 CG LYS A 31 11.625 -0.056 10.662 1.00 0.39 C ATOM 512 CD LYS A 31 11.900 1.130 11.567 1.00 0.45 C ATOM 513 CE LYS A 31 10.743 2.114 11.567 1.00 0.46 C ATOM 514 NZ LYS A 31 10.972 3.230 12.516 1.00 0.65 N ATOM 0 H LYS A 31 12.645 -2.147 8.109 1.00 0.32 H new ATOM 0 HA LYS A 31 10.027 -0.815 8.450 1.00 0.37 H new ATOM 0 HB2 LYS A 31 12.733 0.491 8.914 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.164 1.262 9.039 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.639 -0.462 10.887 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.349 -0.844 10.868 1.00 0.39 H new ATOM 0 HD2 LYS A 31 12.080 0.779 12.583 1.00 0.45 H new ATOM 0 HD3 LYS A 31 12.808 1.636 11.239 1.00 0.45 H new ATOM 0 HE2 LYS A 31 10.605 2.513 10.562 1.00 0.46 H new ATOM 0 HE3 LYS A 31 9.823 1.594 11.832 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 10.161 3.881 12.488 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 11.079 2.851 13.479 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 11.837 3.742 12.248 1.00 0.65 H new ATOM 528 N ASP A 32 12.541 -0.509 6.341 1.00 0.24 N ATOM 529 CA ASP A 32 12.960 -0.210 4.969 1.00 0.25 C ATOM 530 C ASP A 32 12.498 1.168 4.460 1.00 0.35 C ATOM 531 O ASP A 32 13.009 2.180 4.931 1.00 0.84 O ATOM 532 CB ASP A 32 12.513 -1.313 4.033 1.00 0.31 C ATOM 533 CG ASP A 32 13.508 -1.521 2.920 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.722 -1.358 3.169 1.00 1.91 O ATOM 535 OD2 ASP A 32 13.094 -1.856 1.802 1.00 1.80 O ATOM 0 H ASP A 32 13.296 -0.872 6.922 1.00 0.24 H new ATOM 0 HA ASP A 32 14.049 -0.163 4.984 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.390 -2.240 4.592 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.539 -1.063 3.612 1.00 0.31 H new ATOM 540 N SER A 33 11.499 1.203 3.548 1.00 0.25 N ATOM 541 CA SER A 33 11.069 2.429 2.830 1.00 0.19 C ATOM 542 C SER A 33 10.012 2.067 1.779 1.00 0.19 C ATOM 543 O SER A 33 10.308 1.321 0.848 1.00 0.28 O ATOM 544 CB SER A 33 12.222 3.140 2.090 1.00 0.24 C ATOM 545 OG SER A 33 13.165 3.717 2.974 1.00 0.27 O ATOM 0 H SER A 33 10.963 0.375 3.287 1.00 0.25 H new ATOM 0 HA SER A 33 10.679 3.103 3.593 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.728 2.425 1.442 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.810 3.917 1.446 1.00 0.24 H new ATOM 0 HG SER A 33 12.993 3.403 3.886 1.00 0.27 H new ATOM 551 N ILE A 34 8.788 2.581 1.916 1.00 0.16 N ATOM 552 CA ILE A 34 7.750 2.334 0.907 1.00 0.18 C ATOM 553 C ILE A 34 7.087 3.643 0.485 1.00 0.15 C ATOM 554 O ILE A 34 6.481 4.320 1.304 1.00 0.16 O ATOM 555 CB ILE A 34 6.644 1.365 1.395 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.226 0.158 2.135 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.821 0.894 0.212 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.393 0.385 3.619 1.00 0.58 C ATOM 0 H ILE A 34 8.492 3.161 2.701 1.00 0.16 H new ATOM 0 HA ILE A 34 8.262 1.869 0.064 1.00 0.18 H new ATOM 0 HB ILE A 34 6.012 1.908 2.097 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.576 -0.703 1.978 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.195 -0.091 1.702 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.044 0.213 0.558 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.360 1.753 -0.276 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.467 0.377 -0.498 1.00 0.76 H new ATOM 0 HD11 ILE A 34 7.810 -0.511 4.079 1.00 0.58 H new ATOM 0 HD12 ILE A 34 8.067 1.225 3.785 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.423 0.604 4.065 1.00 0.58 H new ATOM 570 N GLU A 35 7.186 3.980 -0.792 1.00 0.13 N ATOM 571 CA GLU A 35 6.661 5.246 -1.297 1.00 0.13 C ATOM 572 C GLU A 35 5.492 4.983 -2.244 1.00 0.13 C ATOM 573 O GLU A 35 5.565 4.084 -3.093 1.00 0.17 O ATOM 574 CB GLU A 35 7.774 6.043 -1.993 1.00 0.16 C ATOM 575 CG GLU A 35 7.338 7.402 -2.520 1.00 0.23 C ATOM 576 CD GLU A 35 8.505 8.237 -3.010 1.00 0.38 C ATOM 577 OE1 GLU A 35 8.873 8.108 -4.196 1.00 1.21 O ATOM 578 OE2 GLU A 35 9.058 9.020 -2.210 1.00 1.13 O ATOM 0 H GLU A 35 7.626 3.394 -1.502 1.00 0.13 H new ATOM 0 HA GLU A 35 6.295 5.843 -0.462 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.596 6.186 -1.291 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.163 5.453 -2.823 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.629 7.261 -3.335 1.00 0.23 H new ATOM 0 HG3 GLU A 35 6.814 7.943 -1.732 1.00 0.23 H new ATOM 585 N PHE A 36 4.416 5.762 -2.102 1.00 0.13 N ATOM 586 CA PHE A 36 3.172 5.452 -2.799 1.00 0.12 C ATOM 587 C PHE A 36 2.811 6.463 -3.890 1.00 0.14 C ATOM 588 O PHE A 36 3.196 7.635 -3.857 1.00 0.16 O ATOM 589 CB PHE A 36 1.985 5.334 -1.832 1.00 0.15 C ATOM 590 CG PHE A 36 2.359 5.041 -0.411 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.046 3.888 -0.080 1.00 1.24 C ATOM 592 CD2 PHE A 36 2.010 5.923 0.596 1.00 1.11 C ATOM 593 CE1 PHE A 36 3.383 3.620 1.227 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.341 5.660 1.907 1.00 1.06 C ATOM 595 CZ PHE A 36 3.027 4.506 2.222 1.00 0.36 C ATOM 0 H PHE A 36 4.383 6.599 -1.519 1.00 0.13 H new ATOM 0 HA PHE A 36 3.361 4.490 -3.276 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.418 6.265 -1.859 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.321 4.546 -2.188 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.321 3.189 -0.856 1.00 1.24 H new ATOM 0 HD2 PHE A 36 1.472 6.827 0.352 1.00 1.11 H new ATOM 0 HE1 PHE A 36 3.925 2.719 1.473 1.00 1.33 H new ATOM 0 HE2 PHE A 36 2.064 6.355 2.686 1.00 1.06 H new ATOM 0 HZ PHE A 36 3.286 4.296 3.249 1.00 0.36 H new ATOM 605 N PHE A 37 2.072 5.950 -4.861 1.00 0.15 N ATOM 606 CA PHE A 37 1.469 6.714 -5.947 1.00 0.17 C ATOM 607 C PHE A 37 -0.028 6.493 -5.876 1.00 0.13 C ATOM 608 O PHE A 37 -0.471 5.498 -5.320 1.00 0.11 O ATOM 609 CB PHE A 37 2.015 6.186 -7.288 1.00 0.20 C ATOM 610 CG PHE A 37 1.744 7.053 -8.490 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.551 6.951 -9.187 1.00 1.25 C ATOM 612 CD2 PHE A 37 2.701 7.947 -8.940 1.00 1.13 C ATOM 613 CE1 PHE A 37 0.314 7.727 -10.303 1.00 1.26 C ATOM 614 CE2 PHE A 37 2.470 8.724 -10.059 1.00 1.15 C ATOM 615 CZ PHE A 37 1.276 8.614 -10.741 1.00 0.33 C ATOM 0 H PHE A 37 1.867 4.953 -4.918 1.00 0.15 H new ATOM 0 HA PHE A 37 1.700 7.776 -5.865 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.093 6.054 -7.194 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.588 5.200 -7.470 1.00 0.20 H new ATOM 0 HD1 PHE A 37 -0.204 6.255 -8.852 1.00 1.25 H new ATOM 0 HD2 PHE A 37 3.638 8.038 -8.411 1.00 1.13 H new ATOM 0 HE1 PHE A 37 -0.623 7.640 -10.833 1.00 1.26 H new ATOM 0 HE2 PHE A 37 3.224 9.418 -10.400 1.00 1.15 H new ATOM 0 HZ PHE A 37 1.095 9.221 -11.616 1.00 0.33 H new ATOM 625 N VAL A 38 -0.804 7.415 -6.390 1.00 0.17 N ATOM 626 CA VAL A 38 -2.235 7.195 -6.486 1.00 0.18 C ATOM 627 C VAL A 38 -2.761 7.568 -7.865 1.00 0.21 C ATOM 628 O VAL A 38 -2.634 8.705 -8.321 1.00 0.25 O ATOM 629 CB VAL A 38 -3.021 7.908 -5.365 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.676 9.387 -5.270 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.519 7.720 -5.550 1.00 0.25 C ATOM 0 H VAL A 38 -0.480 8.315 -6.745 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.399 6.127 -6.345 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.723 7.445 -4.424 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.254 9.845 -4.467 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.612 9.500 -5.061 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.914 9.878 -6.214 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -5.052 8.231 -4.748 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.822 8.137 -6.510 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.758 6.657 -5.524 1.00 0.25 H new ATOM 641 N ASP A 39 -3.332 6.581 -8.527 1.00 0.24 N ATOM 642 CA ASP A 39 -3.825 6.740 -9.882 1.00 0.30 C ATOM 643 C ASP A 39 -5.334 6.585 -9.893 1.00 0.32 C ATOM 644 O ASP A 39 -5.846 5.466 -9.937 1.00 0.29 O ATOM 645 CB ASP A 39 -3.188 5.693 -10.801 1.00 0.30 C ATOM 646 CG ASP A 39 -3.442 5.963 -12.274 1.00 0.44 C ATOM 647 OD1 ASP A 39 -4.490 5.529 -12.797 1.00 1.12 O ATOM 648 OD2 ASP A 39 -2.582 6.593 -12.923 1.00 1.27 O ATOM 0 H ASP A 39 -3.467 5.646 -8.141 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.560 7.733 -10.245 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -2.113 5.667 -10.622 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.578 4.708 -10.545 1.00 0.30 H new ATOM 653 N GLY A 40 -6.039 7.706 -9.808 1.00 0.40 N ATOM 654 CA GLY A 40 -7.491 7.682 -9.798 1.00 0.45 C ATOM 655 C GLY A 40 -8.059 6.983 -8.573 1.00 0.39 C ATOM 656 O GLY A 40 -8.337 7.622 -7.558 1.00 0.43 O ATOM 0 H GLY A 40 -5.629 8.638 -9.745 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.867 8.704 -9.835 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.848 7.179 -10.696 1.00 0.45 H new ATOM 660 N ASP A 41 -8.220 5.671 -8.671 1.00 0.33 N ATOM 661 CA ASP A 41 -8.773 4.875 -7.583 1.00 0.29 C ATOM 662 C ASP A 41 -7.788 3.784 -7.203 1.00 0.21 C ATOM 663 O ASP A 41 -8.158 2.780 -6.596 1.00 0.25 O ATOM 664 CB ASP A 41 -10.092 4.206 -7.991 1.00 0.35 C ATOM 665 CG ASP A 41 -11.096 5.154 -8.613 1.00 0.98 C ATOM 666 OD1 ASP A 41 -11.822 5.844 -7.868 1.00 1.72 O ATOM 667 OD2 ASP A 41 -11.183 5.190 -9.859 1.00 1.74 O ATOM 0 H ASP A 41 -7.973 5.131 -9.500 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.959 5.545 -6.744 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -9.878 3.405 -8.698 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.540 3.744 -7.112 1.00 0.35 H new ATOM 672 N LYS A 42 -6.535 3.972 -7.580 1.00 0.18 N ATOM 673 CA LYS A 42 -5.512 2.977 -7.329 1.00 0.14 C ATOM 674 C LYS A 42 -4.343 3.571 -6.558 1.00 0.12 C ATOM 675 O LYS A 42 -4.058 4.758 -6.669 1.00 0.14 O ATOM 676 CB LYS A 42 -5.014 2.409 -8.656 1.00 0.12 C ATOM 677 CG LYS A 42 -3.751 1.584 -8.526 1.00 0.18 C ATOM 678 CD LYS A 42 -3.371 0.921 -9.835 1.00 0.40 C ATOM 679 CE LYS A 42 -3.173 1.938 -10.949 1.00 0.53 C ATOM 680 NZ LYS A 42 -2.677 1.301 -12.198 1.00 0.41 N ATOM 0 H LYS A 42 -6.203 4.807 -8.062 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.950 2.182 -6.725 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.798 1.791 -9.094 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.831 3.231 -9.348 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.933 2.223 -8.192 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.893 0.821 -7.761 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.454 0.348 -9.699 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -4.149 0.214 -10.123 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -4.117 2.445 -11.150 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -2.465 2.700 -10.624 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -2.555 2.027 -12.933 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -1.764 0.838 -12.013 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -3.365 0.592 -12.523 1.00 0.41 H new ATOM 694 N ILE A 43 -3.660 2.732 -5.797 1.00 0.10 N ATOM 695 CA ILE A 43 -2.476 3.142 -5.074 1.00 0.09 C ATOM 696 C ILE A 43 -1.297 2.273 -5.506 1.00 0.08 C ATOM 697 O ILE A 43 -1.463 1.092 -5.799 1.00 0.10 O ATOM 698 CB ILE A 43 -2.707 3.058 -3.551 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.698 4.152 -3.107 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.396 3.152 -2.782 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.087 5.274 -2.273 1.00 0.15 C ATOM 0 H ILE A 43 -3.912 1.752 -5.666 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.251 4.182 -5.309 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.140 2.084 -3.322 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.157 4.588 -3.995 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.497 3.685 -2.531 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.596 3.089 -1.712 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.741 2.332 -3.077 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.911 4.102 -3.005 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.861 5.994 -2.009 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.654 4.857 -1.364 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.308 5.773 -2.850 1.00 0.15 H new ATOM 713 N ILE A 44 -0.127 2.876 -5.581 1.00 0.08 N ATOM 714 CA ILE A 44 1.073 2.210 -6.065 1.00 0.09 C ATOM 715 C ILE A 44 2.156 2.274 -5.003 1.00 0.11 C ATOM 716 O ILE A 44 2.365 3.326 -4.420 1.00 0.19 O ATOM 717 CB ILE A 44 1.599 2.905 -7.335 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.458 3.087 -8.338 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.746 2.110 -7.934 1.00 0.19 C ATOM 720 CD1 ILE A 44 0.851 3.781 -9.618 1.00 0.22 C ATOM 0 H ILE A 44 0.022 3.847 -5.307 1.00 0.08 H new ATOM 0 HA ILE A 44 0.822 1.174 -6.291 1.00 0.09 H new ATOM 0 HB ILE A 44 1.982 3.892 -7.075 1.00 0.14 H new ATOM 0 HG12 ILE A 44 0.047 2.107 -8.583 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.340 3.657 -7.861 1.00 0.19 H new ATOM 0 HG21 ILE A 44 3.108 2.613 -8.831 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.556 2.036 -7.208 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.399 1.110 -8.194 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -0.020 3.866 -10.268 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.232 4.776 -9.390 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.625 3.203 -10.123 1.00 0.22 H new ATOM 732 N LEU A 45 2.857 1.184 -4.749 1.00 0.09 N ATOM 733 CA LEU A 45 3.887 1.193 -3.725 1.00 0.10 C ATOM 734 C LEU A 45 5.217 0.742 -4.297 1.00 0.12 C ATOM 735 O LEU A 45 5.269 -0.096 -5.199 1.00 0.16 O ATOM 736 CB LEU A 45 3.513 0.298 -2.537 1.00 0.11 C ATOM 737 CG LEU A 45 2.653 0.937 -1.438 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.283 1.319 -1.958 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.514 -0.008 -0.258 1.00 0.23 C ATOM 0 H LEU A 45 2.735 0.293 -5.230 1.00 0.09 H new ATOM 0 HA LEU A 45 3.975 2.219 -3.369 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.983 -0.573 -2.921 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.434 -0.065 -2.081 1.00 0.11 H new ATOM 0 HG LEU A 45 3.157 1.847 -1.112 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.701 1.768 -1.154 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.390 2.035 -2.773 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.771 0.429 -2.323 1.00 0.17 H new ATOM 0 HD21 LEU A 45 1.901 0.460 0.513 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.040 -0.933 -0.586 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.501 -0.230 0.148 1.00 0.23 H new ATOM 751 N LYS A 46 6.284 1.325 -3.782 1.00 0.15 N ATOM 752 CA LYS A 46 7.635 0.941 -4.161 1.00 0.24 C ATOM 753 C LYS A 46 8.561 1.114 -2.975 1.00 0.25 C ATOM 754 O LYS A 46 8.232 1.813 -2.022 1.00 0.41 O ATOM 755 CB LYS A 46 8.143 1.827 -5.298 1.00 0.45 C ATOM 756 CG LYS A 46 8.322 3.267 -4.854 1.00 0.81 C ATOM 757 CD LYS A 46 9.187 4.071 -5.803 1.00 1.10 C ATOM 758 CE LYS A 46 9.543 5.405 -5.173 1.00 1.19 C ATOM 759 NZ LYS A 46 10.257 6.303 -6.105 1.00 1.52 N ATOM 0 H LYS A 46 6.241 2.075 -3.092 1.00 0.15 H new ATOM 0 HA LYS A 46 7.619 -0.099 -4.486 1.00 0.24 H new ATOM 0 HB2 LYS A 46 9.093 1.439 -5.664 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.441 1.788 -6.131 1.00 0.45 H new ATOM 0 HG2 LYS A 46 7.344 3.741 -4.771 1.00 0.81 H new ATOM 0 HG3 LYS A 46 8.769 3.283 -3.860 1.00 0.81 H new ATOM 0 HD2 LYS A 46 10.095 3.517 -6.039 1.00 1.10 H new ATOM 0 HD3 LYS A 46 8.659 4.232 -6.743 1.00 1.10 H new ATOM 0 HE2 LYS A 46 8.632 5.895 -4.829 1.00 1.19 H new ATOM 0 HE3 LYS A 46 10.164 5.233 -4.294 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.081 7.292 -5.837 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 11.278 6.108 -6.061 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 9.915 6.141 -7.074 1.00 1.52 H new ATOM 773 N LYS A 47 9.711 0.481 -3.036 1.00 0.23 N ATOM 774 CA LYS A 47 10.782 0.787 -2.104 1.00 0.25 C ATOM 775 C LYS A 47 11.500 2.034 -2.628 1.00 0.27 C ATOM 776 O LYS A 47 11.531 2.260 -3.839 1.00 0.39 O ATOM 777 CB LYS A 47 11.734 -0.417 -1.978 1.00 0.33 C ATOM 778 CG LYS A 47 12.596 -0.438 -0.718 1.00 0.40 C ATOM 779 CD LYS A 47 13.708 0.599 -0.753 1.00 0.44 C ATOM 780 CE LYS A 47 14.653 0.480 0.431 1.00 0.77 C ATOM 781 NZ LYS A 47 15.288 -0.860 0.509 1.00 0.53 N ATOM 0 H LYS A 47 9.932 -0.246 -3.716 1.00 0.23 H new ATOM 0 HA LYS A 47 10.395 0.984 -1.104 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.142 -1.332 -2.009 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.391 -0.433 -2.848 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.965 -0.259 0.153 1.00 0.40 H new ATOM 0 HG3 LYS A 47 13.032 -1.429 -0.597 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.274 0.489 -1.678 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.269 1.597 -0.765 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.427 1.243 0.354 1.00 0.77 H new ATOM 0 HE3 LYS A 47 14.104 0.674 1.353 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 16.078 -0.831 1.185 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 14.586 -1.559 0.826 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.645 -1.130 -0.430 1.00 0.53 H new ATOM 795 N TYR A 48 12.057 2.843 -1.735 1.00 0.23 N ATOM 796 CA TYR A 48 12.628 4.126 -2.128 1.00 0.29 C ATOM 797 C TYR A 48 13.850 3.939 -3.026 1.00 0.38 C ATOM 798 O TYR A 48 13.918 4.490 -4.122 1.00 0.41 O ATOM 799 CB TYR A 48 13.013 4.923 -0.881 1.00 0.36 C ATOM 800 CG TYR A 48 13.589 6.289 -1.185 1.00 0.53 C ATOM 801 CD1 TYR A 48 12.778 7.326 -1.632 1.00 1.37 C ATOM 802 CD2 TYR A 48 14.946 6.541 -1.028 1.00 1.15 C ATOM 803 CE1 TYR A 48 13.306 8.573 -1.915 1.00 1.49 C ATOM 804 CE2 TYR A 48 15.479 7.782 -1.306 1.00 1.26 C ATOM 805 CZ TYR A 48 14.657 8.792 -1.749 1.00 0.93 C ATOM 806 OH TYR A 48 15.189 10.028 -2.032 1.00 1.14 O ATOM 0 H TYR A 48 12.126 2.635 -0.739 1.00 0.23 H new ATOM 0 HA TYR A 48 11.876 4.674 -2.695 1.00 0.29 H new ATOM 0 HB2 TYR A 48 12.132 5.042 -0.251 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.741 4.351 -0.306 1.00 0.36 H new ATOM 0 HD1 TYR A 48 11.719 7.155 -1.760 1.00 1.37 H new ATOM 0 HD2 TYR A 48 15.595 5.751 -0.682 1.00 1.15 H new ATOM 0 HE1 TYR A 48 12.665 9.369 -2.263 1.00 1.49 H new ATOM 0 HE2 TYR A 48 16.536 7.960 -1.177 1.00 1.26 H new ATOM 0 HH TYR A 48 16.154 10.016 -1.861 1.00 1.14 H new ATOM 958 N ILE B 4 1.625 11.293 -4.344 1.00 0.30 N ATOM 959 CA ILE B 4 1.629 11.718 -2.961 1.00 0.28 C ATOM 960 C ILE B 4 3.019 12.198 -2.573 1.00 0.31 C ATOM 961 O ILE B 4 3.180 13.197 -1.874 1.00 0.37 O ATOM 962 CB ILE B 4 1.207 10.559 -2.041 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.224 9.637 -2.772 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.586 11.105 -0.763 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.197 8.427 -1.967 1.00 0.28 C ATOM 0 HA ILE B 4 0.917 12.535 -2.846 1.00 0.28 H new ATOM 0 HB ILE B 4 2.089 9.978 -1.773 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.664 10.209 -3.041 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.680 9.301 -3.703 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.291 10.277 -0.119 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.313 11.728 -0.242 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.292 11.702 -1.011 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -0.892 7.825 -2.552 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.681 7.831 -1.720 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.684 8.753 -1.048 1.00 0.28 H new ATOM 977 N GLY B 5 4.020 11.479 -3.063 1.00 0.33 N ATOM 978 CA GLY B 5 5.396 11.803 -2.750 1.00 0.38 C ATOM 979 C GLY B 5 5.730 11.485 -1.311 1.00 0.34 C ATOM 980 O GLY B 5 6.530 12.174 -0.683 1.00 0.46 O ATOM 0 H GLY B 5 3.901 10.672 -3.676 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.061 11.245 -3.410 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.573 12.862 -2.940 1.00 0.38 H new ATOM 984 N VAL B 6 5.107 10.441 -0.789 1.00 0.24 N ATOM 985 CA VAL B 6 5.322 10.039 0.594 1.00 0.22 C ATOM 986 C VAL B 6 5.899 8.634 0.673 1.00 0.21 C ATOM 987 O VAL B 6 5.524 7.754 -0.102 1.00 0.25 O ATOM 988 CB VAL B 6 4.025 10.094 1.436 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.541 11.527 1.605 1.00 0.26 C ATOM 990 CG2 VAL B 6 2.936 9.240 0.814 1.00 0.20 C ATOM 0 H VAL B 6 4.448 9.855 -1.301 1.00 0.24 H new ATOM 0 HA VAL B 6 6.032 10.755 1.008 1.00 0.22 H new ATOM 0 HB VAL B 6 4.256 9.692 2.423 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.628 11.535 2.201 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.309 12.113 2.110 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.339 11.961 0.626 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.036 9.296 1.426 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.717 9.604 -0.190 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.273 8.205 0.759 1.00 0.20 H new ATOM 1000 N VAL B 7 6.788 8.440 1.633 1.00 0.18 N ATOM 1001 CA VAL B 7 7.421 7.152 1.854 1.00 0.16 C ATOM 1002 C VAL B 7 7.245 6.758 3.319 1.00 0.18 C ATOM 1003 O VAL B 7 7.283 7.604 4.214 1.00 0.23 O ATOM 1004 CB VAL B 7 8.923 7.158 1.455 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.738 8.073 2.352 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.492 5.744 1.453 1.00 0.19 C ATOM 0 H VAL B 7 7.090 9.169 2.279 1.00 0.18 H new ATOM 0 HA VAL B 7 6.937 6.415 1.213 1.00 0.16 H new ATOM 0 HB VAL B 7 8.991 7.552 0.441 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.783 8.050 2.042 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.358 9.092 2.274 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.659 7.735 3.385 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.544 5.776 1.171 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.396 5.312 2.449 1.00 0.19 H new ATOM 0 HG23 VAL B 7 8.943 5.132 0.738 1.00 0.19 H new ATOM 1016 N ARG B 8 7.007 5.483 3.555 1.00 0.15 N ATOM 1017 CA ARG B 8 6.700 4.993 4.886 1.00 0.16 C ATOM 1018 C ARG B 8 7.740 4.002 5.339 1.00 0.16 C ATOM 1019 O ARG B 8 8.366 3.330 4.521 1.00 0.16 O ATOM 1020 CB ARG B 8 5.319 4.329 4.919 1.00 0.16 C ATOM 1021 CG ARG B 8 4.206 5.252 5.386 1.00 0.18 C ATOM 1022 CD ARG B 8 4.199 6.558 4.616 1.00 0.23 C ATOM 1023 NE ARG B 8 3.264 7.528 5.170 1.00 0.50 N ATOM 1024 CZ ARG B 8 3.584 8.798 5.418 1.00 0.51 C ATOM 1025 NH1 ARG B 8 4.808 9.243 5.141 1.00 0.80 N ATOM 1026 NH2 ARG B 8 2.685 9.625 5.931 1.00 0.82 N ATOM 0 H ARG B 8 7.020 4.761 2.835 1.00 0.15 H new ATOM 0 HA ARG B 8 6.699 5.848 5.561 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.079 3.961 3.921 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.359 3.461 5.577 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.245 4.753 5.264 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.326 5.458 6.450 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.203 6.983 4.619 1.00 0.23 H new ATOM 0 HD3 ARG B 8 3.939 6.361 3.576 1.00 0.23 H new ATOM 0 HE ARG B 8 2.315 7.219 5.379 1.00 0.50 H new ATOM 0 HH11 ARG B 8 5.501 8.612 4.739 1.00 0.80 H new ATOM 0 HH12 ARG B 8 5.052 10.215 5.331 1.00 0.80 H new ATOM 0 HH21 ARG B 8 1.744 9.291 6.138 1.00 0.82 H new ATOM 0 HH22 ARG B 8 2.934 10.596 6.119 1.00 0.82 H new ATOM 1040 N LYS B 9 7.943 3.940 6.634 1.00 0.18 N ATOM 1041 CA LYS B 9 8.787 2.928 7.216 1.00 0.19 C ATOM 1042 C LYS B 9 7.915 1.901 7.919 1.00 0.19 C ATOM 1043 O LYS B 9 7.071 2.259 8.742 1.00 0.23 O ATOM 1044 CB LYS B 9 9.781 3.558 8.191 1.00 0.22 C ATOM 1045 CG LYS B 9 10.585 4.704 7.589 1.00 0.25 C ATOM 1046 CD LYS B 9 11.235 4.313 6.267 1.00 0.25 C ATOM 1047 CE LYS B 9 12.148 5.408 5.737 1.00 0.68 C ATOM 1048 NZ LYS B 9 13.279 5.687 6.662 1.00 0.91 N ATOM 0 H LYS B 9 7.531 4.585 7.308 1.00 0.18 H new ATOM 0 HA LYS B 9 9.360 2.434 6.432 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.239 3.924 9.063 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.468 2.789 8.543 1.00 0.22 H new ATOM 0 HG2 LYS B 9 9.931 5.562 7.432 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.356 5.015 8.294 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.809 3.396 6.402 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.460 4.099 5.531 1.00 0.25 H new ATOM 0 HE2 LYS B 9 12.540 5.113 4.764 1.00 0.68 H new ATOM 0 HE3 LYS B 9 11.570 6.320 5.585 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 14.013 6.226 6.160 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 12.936 6.241 7.473 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 13.680 4.789 7.001 1.00 0.91 H new ATOM 1062 N VAL B 10 8.101 0.639 7.560 1.00 0.18 N ATOM 1063 CA VAL B 10 7.341 -0.454 8.149 1.00 0.19 C ATOM 1064 C VAL B 10 7.497 -0.458 9.668 1.00 0.20 C ATOM 1065 O VAL B 10 8.564 -0.129 10.182 1.00 0.23 O ATOM 1066 CB VAL B 10 7.799 -1.818 7.568 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.283 -2.977 8.398 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.345 -1.967 6.127 1.00 0.25 C ATOM 0 H VAL B 10 8.779 0.345 6.857 1.00 0.18 H new ATOM 0 HA VAL B 10 6.290 -0.304 7.902 1.00 0.19 H new ATOM 0 HB VAL B 10 8.888 -1.837 7.600 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.623 -3.916 7.962 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.661 -2.892 9.417 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.193 -2.957 8.413 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.676 -2.930 5.739 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.257 -1.912 6.081 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.775 -1.166 5.525 1.00 0.25 H new ATOM 1078 N ASP B 11 6.413 -0.766 10.376 1.00 0.20 N ATOM 1079 CA ASP B 11 6.479 -0.974 11.820 1.00 0.21 C ATOM 1080 C ASP B 11 7.505 -2.052 12.134 1.00 0.22 C ATOM 1081 O ASP B 11 8.655 -1.762 12.457 1.00 0.25 O ATOM 1082 CB ASP B 11 5.110 -1.385 12.386 1.00 0.26 C ATOM 1083 CG ASP B 11 4.188 -0.208 12.647 1.00 1.13 C ATOM 1084 OD1 ASP B 11 4.667 0.946 12.637 1.00 1.95 O ATOM 1085 OD2 ASP B 11 2.977 -0.436 12.877 1.00 1.86 O ATOM 0 H ASP B 11 5.482 -0.877 9.975 1.00 0.20 H new ATOM 0 HA ASP B 11 6.773 -0.034 12.287 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.626 -2.068 11.687 1.00 0.26 H new ATOM 0 HB3 ASP B 11 5.259 -1.933 13.316 1.00 0.26 H new ATOM 1090 N GLU B 12 7.066 -3.296 12.029 1.00 0.25 N ATOM 1091 CA GLU B 12 7.938 -4.462 12.164 1.00 0.28 C ATOM 1092 C GLU B 12 7.397 -5.585 11.293 1.00 0.28 C ATOM 1093 O GLU B 12 8.117 -6.201 10.510 1.00 0.32 O ATOM 1094 CB GLU B 12 8.000 -4.935 13.624 1.00 0.31 C ATOM 1095 CG GLU B 12 8.496 -3.876 14.590 1.00 0.35 C ATOM 1096 CD GLU B 12 8.592 -4.363 16.019 1.00 0.38 C ATOM 1097 OE1 GLU B 12 9.311 -5.350 16.271 1.00 1.11 O ATOM 1098 OE2 GLU B 12 7.952 -3.752 16.903 1.00 1.20 O ATOM 0 H GLU B 12 6.090 -3.531 11.847 1.00 0.25 H new ATOM 0 HA GLU B 12 8.945 -4.187 11.849 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.006 -5.259 13.934 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.653 -5.805 13.687 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.477 -3.530 14.265 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.826 -3.017 14.551 1.00 0.35 H new ATOM 1105 N LEU B 13 6.101 -5.815 11.437 1.00 0.26 N ATOM 1106 CA LEU B 13 5.391 -6.868 10.717 1.00 0.25 C ATOM 1107 C LEU B 13 5.283 -6.555 9.230 1.00 0.21 C ATOM 1108 O LEU B 13 5.323 -7.450 8.386 1.00 0.24 O ATOM 1109 CB LEU B 13 3.980 -6.983 11.283 1.00 0.27 C ATOM 1110 CG LEU B 13 3.878 -7.031 12.802 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.440 -6.788 13.226 1.00 0.64 C ATOM 1112 CD2 LEU B 13 4.381 -8.365 13.336 1.00 0.62 C ATOM 0 H LEU B 13 5.505 -5.273 12.062 1.00 0.26 H new ATOM 0 HA LEU B 13 5.948 -7.797 10.839 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.395 -6.136 10.925 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.518 -7.883 10.878 1.00 0.27 H new ATOM 0 HG LEU B 13 4.507 -6.247 13.223 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.370 -6.823 14.313 1.00 0.64 H new ATOM 0 HD12 LEU B 13 2.117 -5.809 12.873 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.799 -7.558 12.796 1.00 0.64 H new ATOM 0 HD21 LEU B 13 4.299 -8.376 14.423 1.00 0.62 H new ATOM 0 HD22 LEU B 13 3.781 -9.174 12.918 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.424 -8.502 13.050 1.00 0.62 H new ATOM 1124 N GLY B 14 5.137 -5.281 8.925 1.00 0.17 N ATOM 1125 CA GLY B 14 4.851 -4.862 7.571 1.00 0.14 C ATOM 1126 C GLY B 14 3.794 -3.782 7.548 1.00 0.10 C ATOM 1127 O GLY B 14 3.430 -3.270 6.494 1.00 0.09 O ATOM 0 H GLY B 14 5.212 -4.519 9.598 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.763 -4.493 7.101 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.514 -5.718 6.986 1.00 0.14 H new ATOM 1131 N ARG B 15 3.304 -3.432 8.733 1.00 0.10 N ATOM 1132 CA ARG B 15 2.288 -2.401 8.864 1.00 0.10 C ATOM 1133 C ARG B 15 2.891 -1.037 8.560 1.00 0.09 C ATOM 1134 O ARG B 15 3.952 -0.700 9.088 1.00 0.12 O ATOM 1135 CB ARG B 15 1.726 -2.361 10.290 1.00 0.17 C ATOM 1136 CG ARG B 15 1.294 -3.701 10.863 1.00 0.23 C ATOM 1137 CD ARG B 15 0.491 -3.508 12.142 1.00 0.42 C ATOM 1138 NE ARG B 15 1.145 -2.581 13.074 1.00 1.48 N ATOM 1139 CZ ARG B 15 0.731 -2.358 14.323 1.00 1.80 C ATOM 1140 NH1 ARG B 15 -0.327 -3.000 14.808 1.00 1.45 N ATOM 1141 NH2 ARG B 15 1.374 -1.479 15.083 1.00 2.89 N ATOM 0 H ARG B 15 3.597 -3.850 9.616 1.00 0.10 H new ATOM 0 HA ARG B 15 1.488 -2.635 8.161 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.482 -1.932 10.947 1.00 0.17 H new ATOM 0 HB3 ARG B 15 0.870 -1.686 10.305 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.694 -4.239 10.129 1.00 0.23 H new ATOM 0 HG3 ARG B 15 2.172 -4.314 11.068 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.501 -3.130 11.893 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.351 -4.473 12.630 1.00 0.42 H new ATOM 0 HE ARG B 15 1.968 -2.075 12.746 1.00 1.48 H new ATOM 0 HH11 ARG B 15 -0.829 -3.669 14.224 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -0.637 -2.824 15.764 1.00 1.45 H new ATOM 0 HH21 ARG B 15 2.181 -0.977 14.712 1.00 2.89 H new ATOM 0 HH22 ARG B 15 1.061 -1.305 16.038 1.00 2.89 H new ATOM 1155 N ILE B 16 2.232 -0.269 7.710 1.00 0.09 N ATOM 1156 CA ILE B 16 2.652 1.100 7.447 1.00 0.09 C ATOM 1157 C ILE B 16 1.430 2.009 7.458 1.00 0.09 C ATOM 1158 O ILE B 16 0.307 1.547 7.655 1.00 0.10 O ATOM 1159 CB ILE B 16 3.425 1.248 6.108 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.466 1.369 4.926 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.388 0.087 5.899 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.146 1.279 3.576 1.00 0.12 C ATOM 0 H ILE B 16 1.406 -0.567 7.191 1.00 0.09 H new ATOM 0 HA ILE B 16 3.346 1.390 8.236 1.00 0.09 H new ATOM 0 HB ILE B 16 4.008 2.167 6.166 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.715 0.582 4.997 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.938 2.320 4.994 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.915 0.217 4.954 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.109 0.061 6.716 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.830 -0.849 5.877 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.401 1.373 2.786 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.877 2.082 3.483 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.650 0.317 3.486 1.00 0.12 H new ATOM 1174 N VAL B 17 1.639 3.291 7.229 1.00 0.09 N ATOM 1175 CA VAL B 17 0.561 4.253 7.341 1.00 0.09 C ATOM 1176 C VAL B 17 0.236 4.853 5.981 1.00 0.09 C ATOM 1177 O VAL B 17 0.984 5.677 5.445 1.00 0.13 O ATOM 1178 CB VAL B 17 0.874 5.367 8.375 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.264 5.951 8.169 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.186 6.465 8.327 1.00 0.11 C ATOM 0 H VAL B 17 2.541 3.689 6.966 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.315 3.716 7.706 1.00 0.09 H new ATOM 0 HB VAL B 17 0.853 4.910 9.364 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.446 6.728 8.912 1.00 0.12 H new ATOM 0 HG12 VAL B 17 3.009 5.163 8.277 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.334 6.381 7.170 1.00 0.12 H new ATOM 0 HG21 VAL B 17 0.054 7.235 9.060 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.207 6.907 7.331 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.163 6.038 8.556 1.00 0.11 H new ATOM 1190 N MET B 18 -0.868 4.400 5.412 1.00 0.09 N ATOM 1191 CA MET B 18 -1.354 4.952 4.161 1.00 0.09 C ATOM 1192 C MET B 18 -2.082 6.243 4.490 1.00 0.08 C ATOM 1193 O MET B 18 -2.758 6.321 5.514 1.00 0.15 O ATOM 1194 CB MET B 18 -2.281 3.962 3.443 1.00 0.17 C ATOM 1195 CG MET B 18 -1.776 2.524 3.444 1.00 0.20 C ATOM 1196 SD MET B 18 -0.089 2.368 2.822 1.00 0.90 S ATOM 1197 CE MET B 18 -0.266 2.896 1.120 1.00 0.50 C ATOM 0 H MET B 18 -1.444 3.651 5.797 1.00 0.09 H new ATOM 0 HA MET B 18 -0.523 5.146 3.483 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.263 3.991 3.916 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.414 4.288 2.412 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.821 2.130 4.459 1.00 0.20 H new ATOM 0 HG3 MET B 18 -2.440 1.911 2.834 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.618 2.602 0.554 1.00 0.50 H new ATOM 0 HE2 MET B 18 -1.149 2.428 0.684 1.00 0.50 H new ATOM 0 HE3 MET B 18 -0.375 3.980 1.085 1.00 0.50 H new ATOM 1207 N PRO B 19 -1.961 7.285 3.664 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.405 8.596 4.057 1.00 0.11 C ATOM 1209 C PRO B 19 -3.889 8.830 3.812 1.00 0.12 C ATOM 1210 O PRO B 19 -4.566 8.065 3.105 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.542 9.537 3.209 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.038 8.728 2.054 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.428 7.280 2.295 1.00 0.14 C ATOM 0 HA PRO B 19 -2.293 8.752 5.130 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.125 10.389 2.860 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.713 9.936 3.794 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.467 9.089 1.119 1.00 0.19 H new ATOM 0 HG3 PRO B 19 0.044 8.822 1.965 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.174 6.942 1.576 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.570 6.614 2.202 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.395 9.885 4.428 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.738 10.362 4.168 1.00 0.17 C ATOM 1223 C ILE B 20 -5.970 10.503 2.668 1.00 0.16 C ATOM 1224 O ILE B 20 -7.074 10.311 2.190 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.971 11.721 4.852 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.338 12.297 4.473 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.846 12.686 4.503 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.502 11.552 5.089 1.00 0.27 C ATOM 0 H ILE B 20 -3.885 10.433 5.121 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.440 9.634 4.574 1.00 0.17 H new ATOM 0 HB ILE B 20 -5.968 11.572 5.932 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.381 13.341 4.783 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.441 12.282 3.388 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -5.023 13.643 4.993 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.895 12.275 4.842 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.813 12.832 3.423 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.437 12.016 4.776 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.485 10.513 4.759 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.424 11.589 6.176 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.906 10.814 1.938 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.943 10.913 0.486 1.00 0.18 C ATOM 1242 C GLU B 21 -5.495 9.637 -0.120 1.00 0.14 C ATOM 1243 O GLU B 21 -6.270 9.675 -1.068 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.529 11.122 -0.023 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.661 11.881 0.964 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.692 13.378 0.742 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -3.802 13.952 0.693 1.00 1.23 O ATOM 1248 OE2 GLU B 21 -1.610 13.990 0.638 1.00 0.98 O ATOM 0 H GLU B 21 -3.988 11.006 2.340 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.585 11.747 0.202 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.075 10.153 -0.231 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.563 11.667 -0.966 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -2.995 11.662 1.978 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.633 11.528 0.884 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.100 8.511 0.460 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.543 7.208 0.004 1.00 0.13 C ATOM 1257 C LEU B 22 -6.996 7.008 0.373 1.00 0.14 C ATOM 1258 O LEU B 22 -7.786 6.491 -0.415 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.671 6.100 0.616 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.405 4.808 1.004 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.562 3.592 0.653 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.724 4.806 2.498 1.00 0.21 C ATOM 0 H LEU B 22 -4.465 8.479 1.258 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.443 7.156 -1.080 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.884 5.849 -0.095 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.182 6.498 1.505 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.339 4.762 0.443 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.097 2.685 0.935 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.368 3.581 -0.420 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.616 3.637 1.192 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.244 3.884 2.758 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -4.797 4.873 3.068 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.358 5.660 2.736 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.345 7.428 1.581 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.719 7.322 2.043 1.00 0.19 C ATOM 1276 C ARG B 23 -9.645 8.137 1.143 1.00 0.20 C ATOM 1277 O ARG B 23 -10.667 7.634 0.674 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.819 7.777 3.508 1.00 0.24 C ATOM 1279 CG ARG B 23 -7.928 6.967 4.442 1.00 0.28 C ATOM 1280 CD ARG B 23 -8.339 7.107 5.907 1.00 0.52 C ATOM 1281 NE ARG B 23 -7.989 8.397 6.502 1.00 0.83 N ATOM 1282 CZ ARG B 23 -8.604 8.902 7.576 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -9.671 8.291 8.085 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -8.158 10.018 8.140 1.00 1.75 N ATOM 0 H ARG B 23 -6.700 7.842 2.254 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.035 6.280 1.990 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.546 8.830 3.576 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -9.854 7.694 3.839 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -7.967 5.916 4.156 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -6.894 7.291 4.325 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -9.416 6.962 5.987 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.866 6.312 6.484 1.00 0.52 H new ATOM 0 HE ARG B 23 -7.237 8.939 6.075 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -10.022 7.435 7.656 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -10.138 8.679 8.905 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -7.343 10.494 7.754 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -8.631 10.399 8.959 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.265 9.386 0.916 1.00 0.21 N ATOM 1299 CA ARG B 24 -9.958 10.279 -0.009 1.00 0.23 C ATOM 1300 C ARG B 24 -10.030 9.678 -1.408 1.00 0.22 C ATOM 1301 O ARG B 24 -11.106 9.616 -2.007 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.227 11.624 -0.073 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.117 12.318 1.265 1.00 0.28 C ATOM 1304 CD ARG B 24 -8.039 13.390 1.242 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.416 14.564 0.456 1.00 0.48 N ATOM 1306 CZ ARG B 24 -7.541 15.458 -0.011 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -6.238 15.309 0.216 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -7.969 16.517 -0.685 1.00 1.00 N ATOM 0 H ARG B 24 -8.459 9.815 1.372 1.00 0.21 H new ATOM 0 HA ARG B 24 -10.974 10.423 0.358 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.226 11.465 -0.474 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.749 12.279 -0.771 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.075 12.768 1.524 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.889 11.586 2.040 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.820 13.699 2.264 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.122 12.966 0.834 1.00 0.32 H new ATOM 0 HE ARG B 24 -9.405 14.708 0.253 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -5.902 14.508 0.750 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -5.576 15.996 -0.144 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -8.967 16.649 -0.847 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -7.300 17.199 -1.041 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.875 9.266 -1.925 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.771 8.647 -3.244 1.00 0.22 C ATOM 1324 C ALA B 25 -9.795 7.543 -3.445 1.00 0.23 C ATOM 1325 O ALA B 25 -10.533 7.533 -4.431 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.381 8.061 -3.415 1.00 0.22 C ATOM 0 H ALA B 25 -7.982 9.352 -1.439 1.00 0.21 H new ATOM 0 HA ALA B 25 -8.963 9.423 -3.985 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.300 7.598 -4.398 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.638 8.854 -3.325 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.206 7.310 -2.645 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.838 6.619 -2.501 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.694 5.460 -2.624 1.00 0.28 C ATOM 1334 C LEU B 26 -12.078 5.746 -2.041 1.00 0.30 C ATOM 1335 O LEU B 26 -12.980 6.190 -2.756 1.00 0.37 O ATOM 1336 CB LEU B 26 -10.058 4.254 -1.929 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.600 3.976 -2.303 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -8.080 2.744 -1.578 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.457 3.806 -3.801 1.00 0.35 C ATOM 0 H LEU B 26 -9.289 6.652 -1.642 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.812 5.229 -3.683 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.117 4.404 -0.851 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.650 3.369 -2.160 1.00 0.27 H new ATOM 0 HG LEU B 26 -8.002 4.833 -1.993 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -7.042 2.567 -1.860 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.142 2.902 -0.501 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.683 1.879 -1.852 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.413 3.609 -4.047 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -9.072 2.969 -4.133 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -8.782 4.717 -4.303 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.230 5.514 -0.737 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.506 5.724 -0.045 1.00 0.36 C ATOM 1353 C ASP B 27 -13.359 5.383 1.440 1.00 0.42 C ATOM 1354 O ASP B 27 -14.341 5.148 2.148 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.605 4.867 -0.692 1.00 0.45 C ATOM 1356 CG ASP B 27 -15.987 5.101 -0.103 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.420 6.270 -0.026 1.00 1.77 O ATOM 1358 OD2 ASP B 27 -16.655 4.109 0.264 1.00 1.57 O ATOM 0 H ASP B 27 -11.480 5.178 -0.133 1.00 0.32 H new ATOM 0 HA ASP B 27 -13.791 6.773 -0.133 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.635 5.077 -1.761 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -14.346 3.814 -0.581 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.123 5.412 1.926 1.00 0.28 N ATOM 1364 CA ILE B 28 -11.820 4.905 3.262 1.00 0.29 C ATOM 1365 C ILE B 28 -12.341 5.859 4.317 1.00 0.32 C ATOM 1366 O ILE B 28 -11.993 7.040 4.330 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.299 4.674 3.510 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.721 3.530 2.663 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -10.062 4.357 4.981 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -10.064 3.593 1.205 1.00 0.28 C ATOM 0 H ILE B 28 -11.318 5.779 1.419 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.316 3.937 3.331 1.00 0.29 H new ATOM 0 HB ILE B 28 -9.791 5.593 3.218 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.636 3.532 2.767 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -10.078 2.582 3.065 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -8.998 4.196 5.152 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.405 5.191 5.593 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.613 3.457 5.253 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.613 2.746 0.688 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.147 3.557 1.084 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.682 4.522 0.781 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.163 5.341 5.206 1.00 0.38 N ATOM 1383 CA ALA B 29 -13.747 6.150 6.245 1.00 0.40 C ATOM 1384 C ALA B 29 -12.942 6.011 7.524 1.00 0.39 C ATOM 1385 O ALA B 29 -12.461 6.995 8.085 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.190 5.741 6.458 1.00 0.39 C ATOM 0 H ALA B 29 -13.440 4.360 5.226 1.00 0.38 H new ATOM 0 HA ALA B 29 -13.728 7.198 5.947 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -15.630 6.354 7.244 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -15.749 5.882 5.533 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.231 4.692 6.750 1.00 0.39 H new ATOM 1392 N ILE B 30 -12.769 4.776 7.957 1.00 0.35 N ATOM 1393 CA ILE B 30 -12.016 4.495 9.170 1.00 0.36 C ATOM 1394 C ILE B 30 -11.287 3.159 9.040 1.00 0.37 C ATOM 1395 O ILE B 30 -10.179 3.002 9.538 1.00 0.47 O ATOM 1396 CB ILE B 30 -12.943 4.533 10.419 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.141 4.467 11.732 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -13.990 3.423 10.364 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.854 3.067 12.235 1.00 0.39 C ATOM 0 H ILE B 30 -13.139 3.949 7.488 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.264 5.272 9.307 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.463 5.491 10.402 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.194 4.987 11.589 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.689 5.009 12.503 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.623 3.475 11.250 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.604 3.546 9.472 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.492 2.454 10.331 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.285 3.123 13.163 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.794 2.546 12.416 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.276 2.523 11.488 1.00 0.39 H new ATOM 1411 N LYS B 31 -11.904 2.208 8.342 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.269 0.919 8.066 1.00 0.37 C ATOM 1413 C LYS B 31 -11.439 0.562 6.590 1.00 0.36 C ATOM 1414 O LYS B 31 -10.496 0.126 5.929 1.00 0.52 O ATOM 1415 CB LYS B 31 -11.871 -0.185 8.950 1.00 0.40 C ATOM 1416 CG LYS B 31 -11.847 0.141 10.439 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.193 -1.062 11.304 1.00 0.32 C ATOM 1418 CE LYS B 31 -11.118 -2.134 11.215 1.00 0.33 C ATOM 1419 NZ LYS B 31 -11.326 -3.224 12.202 1.00 0.39 N ATOM 0 H LYS B 31 -12.843 2.305 7.957 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.206 0.999 8.295 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -12.902 -0.363 8.643 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.324 -1.112 8.781 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -10.857 0.508 10.711 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.553 0.946 10.643 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.309 -0.746 12.341 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -13.150 -1.477 10.988 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -11.110 -2.554 10.209 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -10.141 -1.680 11.379 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -10.569 -3.931 12.103 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -11.308 -2.829 13.164 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -12.247 -3.676 12.031 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.652 0.786 6.099 1.00 0.24 N ATOM 1434 CA ASP B 32 -13.032 0.560 4.699 1.00 0.23 C ATOM 1435 C ASP B 32 -12.611 -0.811 4.157 1.00 0.34 C ATOM 1436 O ASP B 32 -13.207 -1.819 4.530 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.499 1.672 3.811 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.472 2.011 2.710 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.689 2.029 2.980 1.00 1.79 O ATOM 1440 OD2 ASP B 32 -13.032 2.266 1.575 1.00 1.83 O ATOM 0 H ASP B 32 -13.420 1.138 6.671 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.122 0.570 4.680 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.305 2.559 4.413 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.547 1.368 3.376 1.00 0.26 H new ATOM 1445 N SER B 33 -11.560 -0.847 3.317 1.00 0.23 N ATOM 1446 CA SER B 33 -11.142 -2.044 2.562 1.00 0.17 C ATOM 1447 C SER B 33 -9.991 -1.675 1.621 1.00 0.17 C ATOM 1448 O SER B 33 -10.173 -0.848 0.731 1.00 0.24 O ATOM 1449 CB SER B 33 -12.273 -2.611 1.685 1.00 0.18 C ATOM 1450 OG SER B 33 -13.315 -3.198 2.445 1.00 0.22 O ATOM 0 H SER B 33 -10.969 -0.035 3.141 1.00 0.23 H new ATOM 0 HA SER B 33 -10.850 -2.793 3.298 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.685 -1.811 1.069 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.861 -3.357 1.005 1.00 0.18 H new ATOM 0 HG SER B 33 -13.283 -2.857 3.363 1.00 0.22 H new ATOM 1456 N ILE B 34 -8.812 -2.258 1.809 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.709 -2.013 0.881 1.00 0.16 C ATOM 1458 C ILE B 34 -7.071 -3.325 0.439 1.00 0.14 C ATOM 1459 O ILE B 34 -6.471 -4.028 1.239 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.600 -1.112 1.474 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.182 0.059 2.268 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -5.716 -0.587 0.357 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.420 -0.266 3.724 1.00 0.40 C ATOM 0 H ILE B 34 -8.595 -2.891 2.579 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.153 -1.493 0.032 1.00 0.16 H new ATOM 0 HB ILE B 34 -6.010 -1.718 2.162 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.503 0.909 2.199 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.124 0.365 1.813 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -4.936 0.047 0.778 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.258 -1.425 -0.169 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.318 -0.006 -0.341 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -7.833 0.607 4.229 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -8.122 -1.096 3.801 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.476 -0.544 4.194 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.179 -3.625 -0.838 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.729 -4.901 -1.376 1.00 0.13 C ATOM 1477 C GLU B 35 -5.524 -4.693 -2.292 1.00 0.12 C ATOM 1478 O GLU B 35 -5.596 -3.900 -3.239 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.879 -5.535 -2.149 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.594 -6.918 -2.694 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.637 -7.331 -3.699 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -9.836 -7.300 -3.366 1.00 1.21 O ATOM 1483 OE2 GLU B 35 -8.265 -7.614 -4.850 1.00 1.24 O ATOM 0 H GLU B 35 -7.579 -2.996 -1.534 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.425 -5.559 -0.562 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.750 -5.590 -1.496 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.144 -4.881 -2.979 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.609 -6.932 -3.161 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.569 -7.637 -1.875 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.418 -5.398 -2.037 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.190 -5.112 -2.785 1.00 0.11 C ATOM 1492 C PHE B 36 -2.729 -6.230 -3.726 1.00 0.13 C ATOM 1493 O PHE B 36 -3.017 -7.416 -3.549 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.017 -4.682 -1.890 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.249 -4.797 -0.410 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.076 -3.901 0.247 1.00 1.22 C ATOM 1497 CD2 PHE B 36 -1.619 -5.784 0.326 1.00 1.14 C ATOM 1498 CE1 PHE B 36 -3.272 -3.993 1.610 1.00 1.29 C ATOM 1499 CE2 PHE B 36 -1.810 -5.876 1.689 1.00 1.13 C ATOM 1500 CZ PHE B 36 -2.639 -4.981 2.330 1.00 0.37 C ATOM 0 H PHE B 36 -4.346 -6.144 -1.345 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.486 -4.269 -3.410 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.146 -5.284 -2.150 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.769 -3.646 -2.121 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.573 -3.122 -0.313 1.00 1.22 H new ATOM 0 HD2 PHE B 36 -0.971 -6.490 -0.172 1.00 1.14 H new ATOM 0 HE1 PHE B 36 -3.921 -3.291 2.111 1.00 1.29 H new ATOM 0 HE2 PHE B 36 -1.310 -6.649 2.254 1.00 1.13 H new ATOM 0 HZ PHE B 36 -2.792 -5.055 3.397 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.016 -5.771 -4.744 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.423 -6.578 -5.804 1.00 0.17 C ATOM 1512 C PHE B 37 0.066 -6.272 -5.828 1.00 0.15 C ATOM 1513 O PHE B 37 0.476 -5.204 -5.397 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.095 -6.170 -7.132 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.615 -6.869 -8.378 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.468 -6.448 -9.033 1.00 1.22 C ATOM 1517 CD2 PHE B 37 -2.334 -7.924 -8.912 1.00 1.17 C ATOM 1518 CE1 PHE B 37 -0.044 -7.071 -10.191 1.00 1.22 C ATOM 1519 CE2 PHE B 37 -1.918 -8.549 -10.073 1.00 1.21 C ATOM 1520 CZ PHE B 37 -0.771 -8.122 -10.713 1.00 0.36 C ATOM 0 H PHE B 37 -1.825 -4.776 -4.860 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.567 -7.647 -5.647 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.167 -6.342 -7.037 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -1.955 -5.098 -7.268 1.00 0.21 H new ATOM 0 HD1 PHE B 37 0.102 -5.622 -8.633 1.00 1.22 H new ATOM 0 HD2 PHE B 37 -3.231 -8.263 -8.416 1.00 1.17 H new ATOM 0 HE1 PHE B 37 0.855 -6.736 -10.687 1.00 1.22 H new ATOM 0 HE2 PHE B 37 -2.490 -9.370 -10.479 1.00 1.21 H new ATOM 0 HZ PHE B 37 -0.444 -8.609 -11.620 1.00 0.36 H new ATOM 1530 N VAL B 38 0.869 -7.203 -6.288 1.00 0.18 N ATOM 1531 CA VAL B 38 2.292 -6.947 -6.419 1.00 0.18 C ATOM 1532 C VAL B 38 2.770 -7.286 -7.822 1.00 0.24 C ATOM 1533 O VAL B 38 2.512 -8.373 -8.345 1.00 0.30 O ATOM 1534 CB VAL B 38 3.134 -7.691 -5.355 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.852 -9.184 -5.356 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.619 -7.434 -5.563 1.00 0.25 C ATOM 0 H VAL B 38 0.570 -8.135 -6.576 1.00 0.18 H new ATOM 0 HA VAL B 38 2.439 -5.881 -6.244 1.00 0.18 H new ATOM 0 HB VAL B 38 2.843 -7.298 -4.381 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.463 -9.670 -4.595 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.798 -9.355 -5.139 1.00 0.34 H new ATOM 0 HG13 VAL B 38 3.093 -9.599 -6.335 1.00 0.34 H new ATOM 0 HG21 VAL B 38 5.190 -7.967 -4.803 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.914 -7.785 -6.552 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.818 -6.365 -5.483 1.00 0.25 H new ATOM 1546 N ASP B 39 3.447 -6.333 -8.428 1.00 0.27 N ATOM 1547 CA ASP B 39 3.925 -6.474 -9.792 1.00 0.34 C ATOM 1548 C ASP B 39 5.435 -6.336 -9.816 1.00 0.35 C ATOM 1549 O ASP B 39 5.962 -5.223 -9.847 1.00 0.30 O ATOM 1550 CB ASP B 39 3.280 -5.415 -10.693 1.00 0.35 C ATOM 1551 CG ASP B 39 3.620 -5.608 -12.159 1.00 0.52 C ATOM 1552 OD1 ASP B 39 4.628 -5.039 -12.623 1.00 1.08 O ATOM 1553 OD2 ASP B 39 2.862 -6.311 -12.861 1.00 1.35 O ATOM 0 H ASP B 39 3.682 -5.441 -7.993 1.00 0.27 H new ATOM 0 HA ASP B 39 3.650 -7.459 -10.168 1.00 0.34 H new ATOM 0 HB2 ASP B 39 2.198 -5.448 -10.568 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.608 -4.425 -10.375 1.00 0.35 H new ATOM 1558 N GLY B 40 6.122 -7.469 -9.758 1.00 0.43 N ATOM 1559 CA GLY B 40 7.575 -7.473 -9.720 1.00 0.48 C ATOM 1560 C GLY B 40 8.122 -6.828 -8.462 1.00 0.42 C ATOM 1561 O GLY B 40 8.408 -7.507 -7.475 1.00 0.47 O ATOM 0 H GLY B 40 5.695 -8.395 -9.736 1.00 0.43 H new ATOM 0 HA2 GLY B 40 7.935 -8.500 -9.784 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.960 -6.945 -10.593 1.00 0.48 H new ATOM 1565 N ASP B 41 8.247 -5.511 -8.502 1.00 0.34 N ATOM 1566 CA ASP B 41 8.769 -4.736 -7.386 1.00 0.31 C ATOM 1567 C ASP B 41 7.835 -3.568 -7.109 1.00 0.22 C ATOM 1568 O ASP B 41 8.253 -2.526 -6.602 1.00 0.26 O ATOM 1569 CB ASP B 41 10.170 -4.205 -7.700 1.00 0.38 C ATOM 1570 CG ASP B 41 11.180 -5.302 -7.971 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.290 -5.735 -9.137 1.00 1.74 O ATOM 1572 OD2 ASP B 41 11.879 -5.725 -7.029 1.00 1.81 O ATOM 0 H ASP B 41 7.989 -4.947 -9.312 1.00 0.34 H new ATOM 0 HA ASP B 41 8.833 -5.382 -6.510 1.00 0.31 H new ATOM 0 HB2 ASP B 41 10.116 -3.548 -8.568 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.518 -3.599 -6.863 1.00 0.38 H new ATOM 1577 N LYS B 42 6.573 -3.741 -7.467 1.00 0.18 N ATOM 1578 CA LYS B 42 5.562 -2.721 -7.248 1.00 0.13 C ATOM 1579 C LYS B 42 4.373 -3.291 -6.483 1.00 0.11 C ATOM 1580 O LYS B 42 4.083 -4.477 -6.579 1.00 0.15 O ATOM 1581 CB LYS B 42 5.100 -2.162 -8.595 1.00 0.12 C ATOM 1582 CG LYS B 42 3.786 -1.405 -8.530 1.00 0.14 C ATOM 1583 CD LYS B 42 3.510 -0.659 -9.821 1.00 0.33 C ATOM 1584 CE LYS B 42 3.493 -1.593 -11.021 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.460 -0.850 -12.309 1.00 0.55 N ATOM 0 H LYS B 42 6.223 -4.588 -7.915 1.00 0.18 H new ATOM 0 HA LYS B 42 5.997 -1.920 -6.651 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.871 -1.498 -8.985 1.00 0.12 H new ATOM 0 HB3 LYS B 42 4.999 -2.985 -9.303 1.00 0.12 H new ATOM 0 HG2 LYS B 42 2.973 -2.103 -8.331 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.812 -0.700 -7.699 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.551 -0.146 -9.746 1.00 0.33 H new ATOM 0 HD3 LYS B 42 4.271 0.107 -9.968 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.375 -2.232 -10.995 1.00 0.75 H new ATOM 0 HE3 LYS B 42 2.623 -2.247 -10.958 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 3.449 -1.526 -13.099 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 2.605 -0.259 -12.347 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 4.303 -0.245 -12.382 1.00 0.55 H new ATOM 1599 N ILE B 43 3.693 -2.441 -5.731 1.00 0.09 N ATOM 1600 CA ILE B 43 2.492 -2.832 -5.015 1.00 0.08 C ATOM 1601 C ILE B 43 1.318 -1.987 -5.509 1.00 0.06 C ATOM 1602 O ILE B 43 1.495 -0.827 -5.868 1.00 0.07 O ATOM 1603 CB ILE B 43 2.688 -2.658 -3.490 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.704 -3.671 -2.947 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.373 -2.768 -2.739 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.191 -5.099 -2.889 1.00 0.22 C ATOM 0 H ILE B 43 3.957 -1.465 -5.601 1.00 0.09 H new ATOM 0 HA ILE B 43 2.283 -3.885 -5.206 1.00 0.08 H new ATOM 0 HB ILE B 43 3.080 -1.654 -3.327 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.597 -3.643 -3.571 1.00 0.15 H new ATOM 0 HG13 ILE B 43 4.006 -3.364 -1.945 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.552 -2.640 -1.671 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.689 -1.994 -3.087 1.00 0.10 H new ATOM 0 HG23 ILE B 43 0.932 -3.749 -2.918 1.00 0.10 H new ATOM 0 HD11 ILE B 43 3.971 -5.750 -2.494 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.316 -5.145 -2.240 1.00 0.22 H new ATOM 0 HD13 ILE B 43 2.917 -5.428 -3.891 1.00 0.22 H new ATOM 1618 N ILE B 44 0.139 -2.584 -5.559 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.049 -1.929 -6.099 1.00 0.08 C ATOM 1620 C ILE B 44 -2.219 -2.059 -5.132 1.00 0.10 C ATOM 1621 O ILE B 44 -2.567 -3.165 -4.740 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.446 -2.566 -7.445 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.270 -2.507 -8.425 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.679 -1.885 -8.020 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.580 -3.082 -9.790 1.00 0.14 C ATOM 0 H ILE B 44 -0.025 -3.535 -5.228 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.813 -0.875 -6.245 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.696 -3.614 -7.277 1.00 0.11 H new ATOM 0 HG12 ILE B 44 0.042 -1.469 -8.541 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.574 -3.047 -7.997 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -2.942 -2.350 -8.970 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.510 -1.989 -7.323 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.469 -0.827 -8.180 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.301 -3.004 -10.426 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -0.862 -4.130 -9.688 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.403 -2.527 -10.240 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.857 -0.950 -4.775 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.914 -0.976 -3.771 1.00 0.09 C ATOM 1639 C LEU B 45 -5.225 -0.506 -4.375 1.00 0.12 C ATOM 1640 O LEU B 45 -5.240 0.414 -5.193 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.572 -0.081 -2.570 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.616 -0.674 -1.527 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.248 -0.917 -2.120 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.502 0.247 -0.323 1.00 0.26 C ATOM 0 H LEU B 45 -2.662 -0.027 -5.163 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.009 -2.006 -3.426 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.135 0.844 -2.947 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.502 0.187 -2.068 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.027 -1.631 -1.204 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.591 -1.337 -1.359 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.331 -1.615 -2.953 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.833 0.026 -2.477 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -1.820 -0.190 0.406 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.120 1.217 -0.642 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.485 0.376 0.131 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.314 -1.155 -3.989 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.646 -0.712 -4.376 1.00 0.19 C ATOM 1658 C LYS B 46 -8.668 -1.124 -3.329 1.00 0.19 C ATOM 1659 O LYS B 46 -8.527 -2.167 -2.694 1.00 0.34 O ATOM 1660 CB LYS B 46 -8.034 -1.252 -5.770 1.00 0.40 C ATOM 1661 CG LYS B 46 -7.970 -2.774 -5.933 1.00 0.92 C ATOM 1662 CD LYS B 46 -9.260 -3.477 -5.508 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.271 -4.927 -5.974 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.462 -5.689 -5.498 1.00 1.20 N ATOM 0 H LYS B 46 -6.301 -1.992 -3.407 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.636 0.376 -4.437 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -9.048 -0.923 -5.998 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.377 -0.797 -6.511 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -7.759 -3.013 -6.975 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -7.140 -3.162 -5.343 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -9.358 -3.439 -4.423 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -10.119 -2.951 -5.924 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -9.244 -4.952 -7.063 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.366 -5.422 -5.621 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.530 -6.587 -6.018 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -10.366 -5.884 -4.481 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -11.322 -5.128 -5.663 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.673 -0.284 -3.130 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.772 -0.609 -2.234 1.00 0.18 C ATOM 1680 C LYS B 47 -11.539 -1.789 -2.828 1.00 0.21 C ATOM 1681 O LYS B 47 -11.642 -1.907 -4.050 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.671 0.625 -2.052 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.550 0.614 -0.803 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.780 -0.258 -0.972 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.764 -0.079 0.170 1.00 0.42 C ATOM 1686 NZ LYS B 47 -15.188 1.337 0.327 1.00 0.76 N ATOM 0 H LYS B 47 -9.750 0.629 -3.578 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.403 -0.891 -1.248 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.040 1.513 -2.024 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.314 0.718 -2.928 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -11.967 0.256 0.046 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -12.859 1.633 -0.570 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.270 -0.015 -1.915 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.478 -1.304 -1.030 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.641 -0.702 -0.007 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.309 -0.425 1.098 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -15.792 1.427 1.169 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.348 1.941 0.437 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -15.721 1.635 -0.515 1.00 0.76 H new ATOM 1700 N TYR B 48 -12.065 -2.658 -1.976 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.659 -3.906 -2.436 1.00 0.25 C ATOM 1702 C TYR B 48 -13.875 -3.655 -3.327 1.00 0.35 C ATOM 1703 O TYR B 48 -13.930 -4.132 -4.456 1.00 0.38 O ATOM 1704 CB TYR B 48 -13.062 -4.779 -1.246 1.00 0.33 C ATOM 1705 CG TYR B 48 -13.573 -6.143 -1.656 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.718 -7.076 -2.225 1.00 1.30 C ATOM 1707 CD2 TYR B 48 -14.907 -6.494 -1.484 1.00 1.05 C ATOM 1708 CE1 TYR B 48 -13.174 -8.319 -2.614 1.00 1.37 C ATOM 1709 CE2 TYR B 48 -15.370 -7.737 -1.868 1.00 1.08 C ATOM 1710 CZ TYR B 48 -14.500 -8.645 -2.434 1.00 0.63 C ATOM 1711 OH TYR B 48 -14.958 -9.884 -2.822 1.00 0.76 O ATOM 0 H TYR B 48 -12.093 -2.523 -0.965 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.906 -4.427 -3.027 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -12.203 -4.903 -0.586 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.834 -4.266 -0.672 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.677 -6.825 -2.366 1.00 1.30 H new ATOM 0 HD2 TYR B 48 -15.591 -5.784 -1.044 1.00 1.05 H new ATOM 0 HE1 TYR B 48 -12.495 -9.032 -3.057 1.00 1.37 H new ATOM 0 HE2 TYR B 48 -16.409 -7.997 -1.726 1.00 1.08 H new ATOM 0 HH TYR B 48 -15.915 -9.955 -2.625 1.00 0.76 H new