USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 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 5 LYS NZ :NH3+ -174:sc= 0.723 (180deg=0.66) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 15 TYR OH : rot 15:sc= -1.26 USER MOD Single : A 17 SER OG : rot 1:sc= 1.33 USER MOD Single : A 18 SER OG : rot 180:sc= -1.1 USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -0.0311 (180deg=-0.209) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -91:sc= 1.2 USER MOD Single : A 32 SER OG : rot -113:sc= 1.19 USER MOD Single : A 34 ASN : amide:sc= 1.03 K(o=1,f=-0.036) USER MOD Single : A 37 MET CE :methyl -170:sc= -1.25 (180deg=-1.4) USER MOD Single : A 39 CYS SG : rot 73:sc= 1.11 USER MOD Single : A 41 SER OG : rot 74:sc= 0.688 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0221 USER MOD Single : B 5 LYS NZ :NH3+ -174:sc= 0.717 (180deg=0.665) USER MOD Single : B 14 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : B 15 TYR OH : rot 15:sc= -1.24 USER MOD Single : B 17 SER OG : rot 4:sc= 1.32 USER MOD Single : B 18 SER OG : rot 180:sc= -1.09 USER MOD Single : B 22 LYS NZ :NH3+ -168:sc= -0.0423 (180deg=-0.204) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot -97:sc= 1.21 USER MOD Single : B 32 SER OG : rot -109:sc= 1.24 USER MOD Single : B 34 ASN : amide:sc= 1.01 K(o=1,f=-0.027) USER MOD Single : B 37 MET CE :methyl -173:sc= -1.21 (180deg=-1.41) USER MOD Single : B 39 CYS SG : rot 72:sc= 1.13 USER MOD Single : B 41 SER OG : rot 73:sc= 0.688 USER MOD Single : B 52 SER OG : rot 180:sc= 0.0143 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.735 10.218 3.982 1.00 0.41 N ATOM 75 CA LYS A 5 -1.830 9.225 3.421 1.00 0.36 C ATOM 76 C LYS A 5 -1.181 8.425 4.538 1.00 0.27 C ATOM 77 O LYS A 5 -0.665 7.331 4.315 1.00 0.25 O ATOM 78 CB LYS A 5 -0.775 9.889 2.525 1.00 0.42 C ATOM 79 CG LYS A 5 -0.172 11.163 3.095 1.00 0.41 C ATOM 80 CD LYS A 5 0.708 11.862 2.075 1.00 0.53 C ATOM 81 CE LYS A 5 1.106 13.251 2.542 1.00 0.73 C ATOM 82 NZ LYS A 5 -0.063 14.172 2.606 1.00 1.14 N ATOM 0 HA LYS A 5 -2.404 8.540 2.796 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.027 9.174 2.340 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -1.228 10.117 1.560 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.970 11.835 3.412 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.415 10.925 3.982 1.00 0.41 H new ATOM 0 HD2 LYS A 5 1.603 11.267 1.897 1.00 0.53 H new ATOM 0 HD3 LYS A 5 0.179 11.934 1.125 1.00 0.53 H new ATOM 0 HE2 LYS A 5 1.570 13.184 3.526 1.00 0.73 H new ATOM 0 HE3 LYS A 5 1.855 13.661 1.864 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 0.264 15.133 2.830 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -0.551 14.178 1.688 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 -0.719 13.849 3.345 1.00 1.14 H new ATOM 96 N GLU A 6 -1.228 8.982 5.741 1.00 0.30 N ATOM 97 CA GLU A 6 -0.780 8.285 6.937 1.00 0.36 C ATOM 98 C GLU A 6 -1.678 7.075 7.209 1.00 0.38 C ATOM 99 O GLU A 6 -1.192 5.991 7.533 1.00 0.41 O ATOM 100 CB GLU A 6 -0.796 9.252 8.124 1.00 0.49 C ATOM 101 CG GLU A 6 -0.362 8.635 9.441 1.00 0.99 C ATOM 102 CD GLU A 6 -0.312 9.655 10.557 1.00 1.46 C ATOM 103 OE1 GLU A 6 -1.381 10.161 10.955 1.00 2.00 O ATOM 104 OE2 GLU A 6 0.798 9.976 11.027 1.00 2.11 O ATOM 0 H GLU A 6 -1.576 9.925 5.914 1.00 0.30 H new ATOM 0 HA GLU A 6 0.238 7.925 6.790 1.00 0.36 H new ATOM 0 HB2 GLU A 6 -0.143 10.095 7.899 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -1.804 9.651 8.238 1.00 0.49 H new ATOM 0 HG2 GLU A 6 -1.052 7.836 9.711 1.00 0.99 H new ATOM 0 HG3 GLU A 6 0.621 8.180 9.321 1.00 0.99 H new ATOM 111 N GLU A 7 -2.985 7.274 7.049 1.00 0.41 N ATOM 112 CA GLU A 7 -3.963 6.200 7.218 1.00 0.48 C ATOM 113 C GLU A 7 -3.664 5.051 6.268 1.00 0.40 C ATOM 114 O GLU A 7 -3.574 3.891 6.672 1.00 0.40 O ATOM 115 CB GLU A 7 -5.379 6.705 6.935 1.00 0.61 C ATOM 116 CG GLU A 7 -5.869 7.776 7.889 1.00 0.75 C ATOM 117 CD GLU A 7 -7.229 8.307 7.486 1.00 0.95 C ATOM 118 OE1 GLU A 7 -8.244 7.639 7.775 1.00 1.25 O ATOM 119 OE2 GLU A 7 -7.290 9.389 6.869 1.00 1.68 O ATOM 0 H GLU A 7 -3.394 8.175 6.801 1.00 0.41 H new ATOM 0 HA GLU A 7 -3.896 5.856 8.250 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.414 7.098 5.919 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -6.067 5.860 6.974 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -5.923 7.367 8.898 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -5.151 8.596 7.915 1.00 0.75 H new ATOM 126 N ILE A 8 -3.506 5.395 4.999 1.00 0.37 N ATOM 127 CA ILE A 8 -3.301 4.403 3.960 1.00 0.36 C ATOM 128 C ILE A 8 -1.959 3.701 4.134 1.00 0.27 C ATOM 129 O ILE A 8 -1.878 2.480 4.013 1.00 0.25 O ATOM 130 CB ILE A 8 -3.402 5.036 2.557 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.756 5.740 2.408 1.00 0.54 C ATOM 132 CG2 ILE A 8 -3.223 3.979 1.473 1.00 0.42 C ATOM 133 CD1 ILE A 8 -4.984 6.371 1.052 1.00 0.96 C ATOM 0 H ILE A 8 -3.516 6.359 4.665 1.00 0.37 H new ATOM 0 HA ILE A 8 -4.092 3.659 4.053 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.605 5.770 2.442 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.550 5.018 2.598 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.837 6.512 3.173 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -3.298 4.448 0.492 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -2.244 3.512 1.578 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.999 3.220 1.573 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -5.964 6.847 1.032 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -4.214 7.119 0.865 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -4.938 5.602 0.281 1.00 0.96 H new ATOM 145 N ALA A 9 -0.915 4.469 4.439 1.00 0.25 N ATOM 146 CA ALA A 9 0.412 3.902 4.675 1.00 0.20 C ATOM 147 C ALA A 9 0.376 2.855 5.786 1.00 0.19 C ATOM 148 O ALA A 9 1.046 1.823 5.696 1.00 0.16 O ATOM 149 CB ALA A 9 1.405 5.000 5.019 1.00 0.21 C ATOM 0 H ALA A 9 -0.962 5.484 4.529 1.00 0.25 H new ATOM 0 HA ALA A 9 0.734 3.410 3.757 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.388 4.561 5.192 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.464 5.709 4.193 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.076 5.519 5.919 1.00 0.21 H new ATOM 155 N ALA A 10 -0.416 3.121 6.820 1.00 0.24 N ATOM 156 CA ALA A 10 -0.580 2.184 7.923 1.00 0.25 C ATOM 157 C ALA A 10 -1.165 0.863 7.428 1.00 0.24 C ATOM 158 O ALA A 10 -0.673 -0.212 7.770 1.00 0.22 O ATOM 159 CB ALA A 10 -1.458 2.788 9.008 1.00 0.33 C ATOM 0 H ALA A 10 -0.956 3.981 6.916 1.00 0.24 H new ATOM 0 HA ALA A 10 0.402 1.981 8.349 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.570 2.075 9.824 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.995 3.700 9.384 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.439 3.022 8.594 1.00 0.33 H new ATOM 165 N LEU A 11 -2.209 0.951 6.611 1.00 0.27 N ATOM 166 CA LEU A 11 -2.805 -0.235 6.002 1.00 0.30 C ATOM 167 C LEU A 11 -1.778 -0.962 5.144 1.00 0.26 C ATOM 168 O LEU A 11 -1.666 -2.187 5.187 1.00 0.29 O ATOM 169 CB LEU A 11 -4.007 0.145 5.128 1.00 0.38 C ATOM 170 CG LEU A 11 -5.274 0.567 5.873 1.00 0.75 C ATOM 171 CD1 LEU A 11 -6.260 1.215 4.914 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.916 -0.635 6.550 1.00 0.63 C ATOM 0 H LEU A 11 -2.660 1.829 6.355 1.00 0.27 H new ATOM 0 HA LEU A 11 -3.141 -0.889 6.806 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -3.708 0.961 4.470 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -4.251 -0.705 4.491 1.00 0.38 H new ATOM 0 HG LEU A 11 -4.999 1.294 6.638 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -7.157 1.510 5.459 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -5.803 2.096 4.463 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -6.528 0.504 4.132 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.817 -0.318 7.076 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -6.178 -1.379 5.798 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.214 -1.070 7.262 1.00 0.63 H new ATOM 184 N ILE A 12 -1.029 -0.181 4.379 1.00 0.21 N ATOM 185 CA ILE A 12 -0.043 -0.701 3.443 1.00 0.20 C ATOM 186 C ILE A 12 1.025 -1.541 4.142 1.00 0.18 C ATOM 187 O ILE A 12 1.244 -2.699 3.779 1.00 0.20 O ATOM 188 CB ILE A 12 0.617 0.458 2.663 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.414 1.101 1.729 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.829 -0.027 1.883 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.080 2.344 1.022 1.00 0.25 C ATOM 0 H ILE A 12 -1.089 0.837 4.390 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.568 -1.354 2.746 1.00 0.20 H new ATOM 0 HB ILE A 12 0.966 1.206 3.375 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.718 0.368 0.982 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.303 1.354 2.307 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.273 0.810 1.344 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.562 -0.445 2.573 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.521 -0.794 1.172 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.710 2.736 0.381 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.356 3.097 1.760 1.00 0.25 H new ATOM 0 HD13 ILE A 12 0.950 2.095 0.415 1.00 0.25 H new ATOM 203 N VAL A 13 1.681 -0.971 5.146 1.00 0.16 N ATOM 204 CA VAL A 13 2.748 -1.684 5.838 1.00 0.16 C ATOM 205 C VAL A 13 2.196 -2.885 6.606 1.00 0.16 C ATOM 206 O VAL A 13 2.802 -3.955 6.614 1.00 0.18 O ATOM 207 CB VAL A 13 3.560 -0.768 6.785 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.281 0.310 5.991 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.675 -0.137 7.850 1.00 0.14 C ATOM 0 H VAL A 13 1.497 -0.031 5.495 1.00 0.16 H new ATOM 0 HA VAL A 13 3.432 -2.040 5.068 1.00 0.16 H new ATOM 0 HB VAL A 13 4.298 -1.389 7.292 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.847 0.946 6.672 1.00 0.16 H new ATOM 0 HG12 VAL A 13 4.962 -0.157 5.279 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.551 0.915 5.452 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.280 0.499 8.496 1.00 0.14 H new ATOM 0 HG22 VAL A 13 1.901 0.463 7.371 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.209 -0.921 8.447 1.00 0.14 H new ATOM 219 N ASN A 14 1.034 -2.709 7.229 1.00 0.18 N ATOM 220 CA ASN A 14 0.383 -3.801 7.953 1.00 0.21 C ATOM 221 C ASN A 14 0.063 -4.955 7.006 1.00 0.19 C ATOM 222 O ASN A 14 0.123 -6.123 7.387 1.00 0.20 O ATOM 223 CB ASN A 14 -0.900 -3.321 8.638 1.00 0.30 C ATOM 224 CG ASN A 14 -1.454 -4.348 9.611 1.00 0.42 C ATOM 225 OD1 ASN A 14 -0.704 -5.110 10.226 1.00 0.45 O ATOM 226 ND2 ASN A 14 -2.767 -4.377 9.759 1.00 0.57 N ATOM 0 H ASN A 14 0.524 -1.826 7.248 1.00 0.18 H new ATOM 0 HA ASN A 14 1.075 -4.150 8.720 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.699 -2.391 9.170 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.652 -3.099 7.881 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.193 -5.046 10.400 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.354 -3.730 9.232 1.00 0.57 H new ATOM 233 N TYR A 15 -0.262 -4.618 5.763 1.00 0.22 N ATOM 234 CA TYR A 15 -0.574 -5.628 4.762 1.00 0.24 C ATOM 235 C TYR A 15 0.654 -6.471 4.443 1.00 0.22 C ATOM 236 O TYR A 15 0.592 -7.699 4.475 1.00 0.23 O ATOM 237 CB TYR A 15 -1.123 -4.999 3.481 1.00 0.30 C ATOM 238 CG TYR A 15 -1.548 -6.033 2.462 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.584 -6.913 2.743 1.00 1.19 C ATOM 240 CD2 TYR A 15 -0.911 -6.140 1.233 1.00 1.30 C ATOM 241 CE1 TYR A 15 -2.976 -7.871 1.833 1.00 1.21 C ATOM 242 CE2 TYR A 15 -1.300 -7.097 0.313 1.00 1.40 C ATOM 243 CZ TYR A 15 -2.333 -7.959 0.621 1.00 0.65 C ATOM 244 OH TYR A 15 -2.724 -8.914 -0.286 1.00 0.80 O ATOM 0 H TYR A 15 -0.316 -3.657 5.426 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.346 -6.272 5.182 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -1.975 -4.366 3.728 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.362 -4.353 3.043 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.093 -6.846 3.693 1.00 1.19 H new ATOM 0 HD2 TYR A 15 -0.101 -5.467 0.992 1.00 1.30 H new ATOM 0 HE1 TYR A 15 -3.783 -8.548 2.070 1.00 1.21 H new ATOM 0 HE2 TYR A 15 -0.798 -7.169 -0.641 1.00 1.40 H new ATOM 0 HH TYR A 15 -3.597 -9.274 -0.026 1.00 0.80 H new ATOM 254 N PHE A 16 1.772 -5.813 4.150 1.00 0.20 N ATOM 255 CA PHE A 16 3.005 -6.528 3.841 1.00 0.21 C ATOM 256 C PHE A 16 3.481 -7.316 5.051 1.00 0.20 C ATOM 257 O PHE A 16 4.054 -8.397 4.909 1.00 0.20 O ATOM 258 CB PHE A 16 4.103 -5.572 3.369 1.00 0.20 C ATOM 259 CG PHE A 16 3.794 -4.885 2.066 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.355 -5.611 0.968 1.00 0.91 C ATOM 261 CD2 PHE A 16 3.947 -3.513 1.935 1.00 1.04 C ATOM 262 CE1 PHE A 16 3.077 -4.984 -0.229 1.00 0.91 C ATOM 263 CE2 PHE A 16 3.671 -2.884 0.739 1.00 1.05 C ATOM 264 CZ PHE A 16 3.235 -3.620 -0.343 1.00 0.23 C ATOM 0 H PHE A 16 1.849 -4.796 4.120 1.00 0.20 H new ATOM 0 HA PHE A 16 2.790 -7.222 3.028 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.268 -4.816 4.137 1.00 0.20 H new ATOM 0 HB3 PHE A 16 5.035 -6.128 3.264 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.229 -6.680 1.052 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.286 -2.931 2.779 1.00 1.04 H new ATOM 0 HE1 PHE A 16 2.736 -5.561 -1.076 1.00 0.91 H new ATOM 0 HE2 PHE A 16 3.796 -1.815 0.650 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.018 -3.127 -1.279 1.00 0.23 H new ATOM 274 N SER A 17 3.225 -6.781 6.237 1.00 0.19 N ATOM 275 CA SER A 17 3.527 -7.492 7.468 1.00 0.20 C ATOM 276 C SER A 17 2.734 -8.794 7.522 1.00 0.21 C ATOM 277 O SER A 17 3.270 -9.845 7.849 1.00 0.24 O ATOM 278 CB SER A 17 3.207 -6.619 8.684 1.00 0.21 C ATOM 279 OG SER A 17 3.961 -5.416 8.663 1.00 0.90 O ATOM 0 H SER A 17 2.810 -5.859 6.371 1.00 0.19 H new ATOM 0 HA SER A 17 4.591 -7.726 7.488 1.00 0.20 H new ATOM 0 HB2 SER A 17 2.143 -6.384 8.697 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.423 -7.171 9.599 1.00 0.21 H new ATOM 0 HG SER A 17 4.517 -5.392 7.856 1.00 0.90 H new ATOM 285 N SER A 18 1.460 -8.722 7.160 1.00 0.24 N ATOM 286 CA SER A 18 0.604 -9.898 7.146 1.00 0.25 C ATOM 287 C SER A 18 1.090 -10.902 6.096 1.00 0.25 C ATOM 288 O SER A 18 1.074 -12.112 6.327 1.00 0.29 O ATOM 289 CB SER A 18 -0.847 -9.489 6.870 1.00 0.26 C ATOM 290 OG SER A 18 -1.740 -10.566 7.093 1.00 0.84 O ATOM 0 H SER A 18 0.997 -7.860 6.872 1.00 0.24 H new ATOM 0 HA SER A 18 0.651 -10.378 8.124 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.118 -8.651 7.512 1.00 0.26 H new ATOM 0 HB3 SER A 18 -0.940 -9.145 5.840 1.00 0.26 H new ATOM 0 HG SER A 18 -2.657 -10.274 6.910 1.00 0.84 H new ATOM 296 N ILE A 19 1.548 -10.392 4.953 1.00 0.23 N ATOM 297 CA ILE A 19 2.035 -11.247 3.872 1.00 0.24 C ATOM 298 C ILE A 19 3.243 -12.068 4.318 1.00 0.25 C ATOM 299 O ILE A 19 3.327 -13.262 4.028 1.00 0.28 O ATOM 300 CB ILE A 19 2.413 -10.429 2.611 1.00 0.24 C ATOM 301 CG1 ILE A 19 1.193 -9.666 2.084 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.986 -11.334 1.520 1.00 0.27 C ATOM 303 CD1 ILE A 19 0.003 -10.550 1.769 1.00 0.28 C ATOM 0 H ILE A 19 1.592 -9.393 4.752 1.00 0.23 H new ATOM 0 HA ILE A 19 1.215 -11.919 3.617 1.00 0.24 H new ATOM 0 HB ILE A 19 3.182 -9.710 2.893 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.895 -8.923 2.823 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.478 -9.123 1.183 1.00 0.25 H new ATOM 0 HG21 ILE A 19 3.243 -10.734 0.647 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.881 -11.832 1.893 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.244 -12.082 1.241 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -0.819 -9.936 1.402 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.282 -11.277 1.006 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.311 -11.074 2.672 1.00 0.28 H new ATOM 315 N VAL A 20 4.171 -11.435 5.030 1.00 0.25 N ATOM 316 CA VAL A 20 5.367 -12.127 5.490 1.00 0.28 C ATOM 317 C VAL A 20 5.053 -13.039 6.677 1.00 0.33 C ATOM 318 O VAL A 20 5.723 -14.051 6.881 1.00 0.34 O ATOM 319 CB VAL A 20 6.510 -11.147 5.848 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.866 -10.283 4.647 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.151 -10.276 7.042 1.00 0.30 C ATOM 0 H VAL A 20 4.118 -10.452 5.298 1.00 0.25 H new ATOM 0 HA VAL A 20 5.713 -12.742 4.659 1.00 0.28 H new ATOM 0 HB VAL A 20 7.380 -11.743 6.125 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.671 -9.600 4.916 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.190 -10.920 3.824 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.992 -9.710 4.339 1.00 0.26 H new ATOM 0 HG21 VAL A 20 6.979 -9.602 7.262 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.259 -9.693 6.812 1.00 0.30 H new ATOM 0 HG23 VAL A 20 5.958 -10.908 7.909 1.00 0.30 H new ATOM 331 N GLU A 21 4.030 -12.684 7.455 1.00 0.39 N ATOM 332 CA GLU A 21 3.551 -13.553 8.525 1.00 0.49 C ATOM 333 C GLU A 21 2.977 -14.845 7.951 1.00 0.48 C ATOM 334 O GLU A 21 3.305 -15.942 8.407 1.00 0.51 O ATOM 335 CB GLU A 21 2.486 -12.846 9.368 1.00 0.59 C ATOM 336 CG GLU A 21 3.009 -11.658 10.158 1.00 1.23 C ATOM 337 CD GLU A 21 4.138 -12.030 11.092 1.00 1.83 C ATOM 338 OE1 GLU A 21 3.853 -12.564 12.185 1.00 2.49 O ATOM 339 OE2 GLU A 21 5.311 -11.794 10.741 1.00 2.39 O ATOM 0 H GLU A 21 3.521 -11.805 7.364 1.00 0.39 H new ATOM 0 HA GLU A 21 4.401 -13.794 9.164 1.00 0.49 H new ATOM 0 HB2 GLU A 21 1.684 -12.508 8.712 1.00 0.59 H new ATOM 0 HB3 GLU A 21 2.049 -13.566 10.061 1.00 0.59 H new ATOM 0 HG2 GLU A 21 3.354 -10.890 9.466 1.00 1.23 H new ATOM 0 HG3 GLU A 21 2.193 -11.223 10.736 1.00 1.23 H new ATOM 346 N LYS A 22 2.127 -14.708 6.939 1.00 0.46 N ATOM 347 CA LYS A 22 1.517 -15.862 6.285 1.00 0.49 C ATOM 348 C LYS A 22 2.513 -16.559 5.365 1.00 0.42 C ATOM 349 O LYS A 22 2.268 -17.665 4.882 1.00 0.44 O ATOM 350 CB LYS A 22 0.295 -15.426 5.474 1.00 0.57 C ATOM 351 CG LYS A 22 -0.766 -14.713 6.294 1.00 0.67 C ATOM 352 CD LYS A 22 -1.883 -14.185 5.409 1.00 0.80 C ATOM 353 CE LYS A 22 -2.951 -13.470 6.221 1.00 0.72 C ATOM 354 NZ LYS A 22 -3.580 -14.367 7.227 1.00 1.42 N ATOM 0 H LYS A 22 1.844 -13.808 6.553 1.00 0.46 H new ATOM 0 HA LYS A 22 1.208 -16.562 7.061 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.622 -14.767 4.669 1.00 0.57 H new ATOM 0 HB3 LYS A 22 -0.151 -16.304 5.006 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -1.178 -15.398 7.034 1.00 0.67 H new ATOM 0 HG3 LYS A 22 -0.312 -13.887 6.842 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -1.469 -13.500 4.669 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.335 -15.012 4.861 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -2.508 -12.612 6.727 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -3.718 -13.083 5.550 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -4.440 -13.918 7.603 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.829 -15.271 6.778 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -2.911 -14.539 8.005 1.00 1.42 H new ATOM 368 N LYS A 23 3.639 -15.883 5.141 1.00 0.36 N ATOM 369 CA LYS A 23 4.699 -16.354 4.254 1.00 0.32 C ATOM 370 C LYS A 23 4.166 -16.675 2.861 1.00 0.36 C ATOM 371 O LYS A 23 4.571 -17.656 2.237 1.00 0.41 O ATOM 372 CB LYS A 23 5.414 -17.567 4.857 1.00 0.36 C ATOM 373 CG LYS A 23 6.189 -17.239 6.122 1.00 0.42 C ATOM 374 CD LYS A 23 6.976 -18.435 6.630 1.00 0.57 C ATOM 375 CE LYS A 23 7.776 -18.073 7.870 1.00 1.21 C ATOM 376 NZ LYS A 23 8.551 -19.227 8.394 1.00 1.79 N ATOM 0 H LYS A 23 3.842 -14.983 5.576 1.00 0.36 H new ATOM 0 HA LYS A 23 5.423 -15.546 4.149 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.679 -18.340 5.080 1.00 0.36 H new ATOM 0 HB3 LYS A 23 6.098 -17.982 4.117 1.00 0.36 H new ATOM 0 HG2 LYS A 23 6.872 -16.412 5.926 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.497 -16.905 6.895 1.00 0.42 H new ATOM 0 HD2 LYS A 23 6.293 -19.253 6.859 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.649 -18.790 5.850 1.00 0.57 H new ATOM 0 HE2 LYS A 23 8.458 -17.256 7.635 1.00 1.21 H new ATOM 0 HE3 LYS A 23 7.099 -17.710 8.644 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 9.081 -18.934 9.239 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 7.899 -19.998 8.644 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 9.216 -19.558 7.666 1.00 1.79 H new ATOM 390 N GLU A 24 3.273 -15.821 2.368 1.00 0.37 N ATOM 391 CA GLU A 24 2.704 -15.989 1.033 1.00 0.46 C ATOM 392 C GLU A 24 3.669 -15.505 -0.040 1.00 0.40 C ATOM 393 O GLU A 24 3.311 -15.409 -1.211 1.00 0.43 O ATOM 394 CB GLU A 24 1.388 -15.227 0.896 1.00 0.57 C ATOM 395 CG GLU A 24 0.207 -15.891 1.576 1.00 0.84 C ATOM 396 CD GLU A 24 -1.099 -15.199 1.245 1.00 1.08 C ATOM 397 OE1 GLU A 24 -1.294 -14.823 0.064 1.00 1.83 O ATOM 398 OE2 GLU A 24 -1.939 -15.043 2.154 1.00 1.65 O ATOM 0 H GLU A 24 2.927 -15.005 2.873 1.00 0.37 H new ATOM 0 HA GLU A 24 2.519 -17.055 0.897 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.516 -14.227 1.311 1.00 0.57 H new ATOM 0 HB3 GLU A 24 1.161 -15.106 -0.163 1.00 0.57 H new ATOM 0 HG2 GLU A 24 0.152 -16.936 1.269 1.00 0.84 H new ATOM 0 HG3 GLU A 24 0.358 -15.883 2.655 1.00 0.84 H new ATOM 405 N ILE A 25 4.884 -15.185 0.363 1.00 0.36 N ATOM 406 CA ILE A 25 5.883 -14.693 -0.560 1.00 0.33 C ATOM 407 C ILE A 25 7.233 -15.331 -0.241 1.00 0.33 C ATOM 408 O ILE A 25 7.495 -15.697 0.908 1.00 0.34 O ATOM 409 CB ILE A 25 5.983 -13.148 -0.487 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.852 -12.613 -1.629 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.534 -12.706 0.864 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.915 -11.105 -1.697 1.00 0.28 C ATOM 0 H ILE A 25 5.202 -15.258 1.329 1.00 0.36 H new ATOM 0 HA ILE A 25 5.590 -14.964 -1.574 1.00 0.33 H new ATOM 0 HB ILE A 25 4.981 -12.733 -0.595 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.863 -13.004 -1.517 1.00 0.30 H new ATOM 0 HG13 ILE A 25 6.466 -12.994 -2.575 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.596 -11.618 0.893 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.873 -13.054 1.658 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.528 -13.130 1.008 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.549 -10.805 -2.531 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.911 -10.705 -1.842 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.330 -10.716 -0.767 1.00 0.28 H new ATOM 424 N SER A 26 8.058 -15.511 -1.265 1.00 0.35 N ATOM 425 CA SER A 26 9.404 -16.038 -1.089 1.00 0.38 C ATOM 426 C SER A 26 10.196 -15.144 -0.140 1.00 0.34 C ATOM 427 O SER A 26 9.999 -13.931 -0.097 1.00 0.31 O ATOM 428 CB SER A 26 10.109 -16.126 -2.441 1.00 0.46 C ATOM 429 OG SER A 26 11.365 -16.777 -2.332 1.00 1.45 O ATOM 0 H SER A 26 7.815 -15.298 -2.232 1.00 0.35 H new ATOM 0 HA SER A 26 9.341 -17.037 -0.658 1.00 0.38 H new ATOM 0 HB2 SER A 26 9.478 -16.666 -3.147 1.00 0.46 H new ATOM 0 HB3 SER A 26 10.252 -15.123 -2.844 1.00 0.46 H new ATOM 0 HG SER A 26 12.064 -16.112 -2.162 1.00 1.45 H new ATOM 435 N GLU A 27 11.104 -15.769 0.607 1.00 0.40 N ATOM 436 CA GLU A 27 11.800 -15.113 1.712 1.00 0.45 C ATOM 437 C GLU A 27 12.665 -13.949 1.242 1.00 0.40 C ATOM 438 O GLU A 27 12.898 -13.003 1.996 1.00 0.44 O ATOM 439 CB GLU A 27 12.654 -16.125 2.475 1.00 0.69 C ATOM 440 CG GLU A 27 11.844 -17.256 3.086 1.00 0.75 C ATOM 441 CD GLU A 27 12.691 -18.201 3.909 1.00 1.21 C ATOM 442 OE1 GLU A 27 13.246 -19.164 3.340 1.00 1.87 O ATOM 443 OE2 GLU A 27 12.799 -17.991 5.136 1.00 1.71 O ATOM 0 H GLU A 27 11.377 -16.741 0.464 1.00 0.40 H new ATOM 0 HA GLU A 27 11.037 -14.705 2.375 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.398 -16.545 1.799 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.197 -15.608 3.266 1.00 0.69 H new ATOM 0 HG2 GLU A 27 11.059 -16.837 3.715 1.00 0.75 H new ATOM 0 HG3 GLU A 27 11.351 -17.815 2.291 1.00 0.75 H new ATOM 450 N ASP A 28 13.146 -14.021 0.009 1.00 0.39 N ATOM 451 CA ASP A 28 13.914 -12.922 -0.570 1.00 0.39 C ATOM 452 C ASP A 28 12.992 -11.747 -0.858 1.00 0.35 C ATOM 453 O ASP A 28 13.337 -10.592 -0.609 1.00 0.38 O ATOM 454 CB ASP A 28 14.636 -13.370 -1.847 1.00 0.46 C ATOM 455 CG ASP A 28 13.699 -13.893 -2.917 1.00 1.01 C ATOM 456 OD1 ASP A 28 13.208 -15.029 -2.774 1.00 1.85 O ATOM 457 OD2 ASP A 28 13.460 -13.184 -3.913 1.00 1.63 O ATOM 0 H ASP A 28 13.020 -14.823 -0.609 1.00 0.39 H new ATOM 0 HA ASP A 28 14.673 -12.610 0.148 1.00 0.39 H new ATOM 0 HB2 ASP A 28 15.202 -12.530 -2.249 1.00 0.46 H new ATOM 0 HB3 ASP A 28 15.357 -14.148 -1.594 1.00 0.46 H new ATOM 462 N GLY A 29 11.804 -12.057 -1.356 1.00 0.31 N ATOM 463 CA GLY A 29 10.798 -11.039 -1.573 1.00 0.30 C ATOM 464 C GLY A 29 10.293 -10.472 -0.264 1.00 0.26 C ATOM 465 O GLY A 29 10.046 -9.272 -0.151 1.00 0.24 O ATOM 0 H GLY A 29 11.518 -13.001 -1.615 1.00 0.31 H new ATOM 0 HA2 GLY A 29 11.216 -10.237 -2.181 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.964 -11.463 -2.133 1.00 0.30 H new ATOM 469 N ALA A 30 10.133 -11.346 0.726 1.00 0.24 N ATOM 470 CA ALA A 30 9.734 -10.935 2.066 1.00 0.23 C ATOM 471 C ALA A 30 10.702 -9.908 2.636 1.00 0.22 C ATOM 472 O ALA A 30 10.285 -8.906 3.213 1.00 0.21 O ATOM 473 CB ALA A 30 9.649 -12.146 2.985 1.00 0.24 C ATOM 0 H ALA A 30 10.275 -12.351 0.622 1.00 0.24 H new ATOM 0 HA ALA A 30 8.750 -10.471 1.999 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.350 -11.825 3.983 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.913 -12.849 2.594 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.623 -12.632 3.037 1.00 0.24 H new ATOM 479 N ASP A 31 11.995 -10.156 2.469 1.00 0.24 N ATOM 480 CA ASP A 31 13.019 -9.221 2.926 1.00 0.25 C ATOM 481 C ASP A 31 12.871 -7.880 2.217 1.00 0.23 C ATOM 482 O ASP A 31 13.008 -6.820 2.831 1.00 0.22 O ATOM 483 CB ASP A 31 14.418 -9.788 2.688 1.00 0.30 C ATOM 484 CG ASP A 31 15.509 -8.815 3.092 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.658 -8.552 4.304 1.00 1.46 O ATOM 486 OD2 ASP A 31 16.218 -8.307 2.199 1.00 1.34 O ATOM 0 H ASP A 31 12.361 -10.996 2.021 1.00 0.24 H new ATOM 0 HA ASP A 31 12.885 -9.070 3.997 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.533 -10.714 3.251 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.531 -10.040 1.634 1.00 0.30 H new ATOM 491 N SER A 32 12.560 -7.935 0.928 1.00 0.24 N ATOM 492 CA SER A 32 12.334 -6.732 0.145 1.00 0.23 C ATOM 493 C SER A 32 11.113 -5.975 0.676 1.00 0.20 C ATOM 494 O SER A 32 11.078 -4.746 0.669 1.00 0.22 O ATOM 495 CB SER A 32 12.147 -7.095 -1.332 1.00 0.25 C ATOM 496 OG SER A 32 12.144 -5.940 -2.154 1.00 0.92 O ATOM 0 H SER A 32 12.459 -8.804 0.404 1.00 0.24 H new ATOM 0 HA SER A 32 13.204 -6.082 0.234 1.00 0.23 H new ATOM 0 HB2 SER A 32 12.947 -7.765 -1.647 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.209 -7.636 -1.459 1.00 0.25 H new ATOM 0 HG SER A 32 11.255 -5.822 -2.550 1.00 0.92 H new ATOM 502 N LEU A 33 10.114 -6.714 1.153 1.00 0.17 N ATOM 503 CA LEU A 33 8.937 -6.105 1.764 1.00 0.15 C ATOM 504 C LEU A 33 9.294 -5.485 3.110 1.00 0.14 C ATOM 505 O LEU A 33 8.779 -4.428 3.474 1.00 0.13 O ATOM 506 CB LEU A 33 7.819 -7.133 1.954 1.00 0.16 C ATOM 507 CG LEU A 33 7.240 -7.723 0.668 1.00 0.18 C ATOM 508 CD1 LEU A 33 6.153 -8.734 0.998 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.693 -6.620 -0.228 1.00 0.19 C ATOM 0 H LEU A 33 10.097 -7.734 1.128 1.00 0.17 H new ATOM 0 HA LEU A 33 8.582 -5.325 1.091 1.00 0.15 H new ATOM 0 HB2 LEU A 33 8.200 -7.949 2.568 1.00 0.16 H new ATOM 0 HB3 LEU A 33 7.010 -6.664 2.514 1.00 0.16 H new ATOM 0 HG LEU A 33 8.038 -8.234 0.129 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.748 -9.147 0.074 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.575 -9.538 1.601 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.356 -8.242 1.555 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.285 -7.059 -1.138 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.906 -6.080 0.299 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.496 -5.930 -0.487 1.00 0.19 H new ATOM 521 N ASN A 34 10.183 -6.148 3.842 1.00 0.15 N ATOM 522 CA ASN A 34 10.637 -5.650 5.137 1.00 0.16 C ATOM 523 C ASN A 34 11.292 -4.284 4.992 1.00 0.16 C ATOM 524 O ASN A 34 10.957 -3.348 5.723 1.00 0.16 O ATOM 525 CB ASN A 34 11.609 -6.632 5.802 1.00 0.18 C ATOM 526 CG ASN A 34 10.901 -7.722 6.587 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.620 -7.563 7.775 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.606 -8.835 5.937 1.00 0.21 N ATOM 0 H ASN A 34 10.605 -7.033 3.561 1.00 0.15 H new ATOM 0 HA ASN A 34 9.759 -5.552 5.776 1.00 0.16 H new ATOM 0 HB2 ASN A 34 12.235 -7.090 5.037 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.273 -6.083 6.470 1.00 0.18 H new ATOM 0 HD21 ASN A 34 10.130 -9.597 6.420 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.854 -8.932 4.952 1.00 0.21 H new ATOM 535 N VAL A 35 12.205 -4.156 4.035 1.00 0.17 N ATOM 536 CA VAL A 35 12.872 -2.884 3.806 1.00 0.19 C ATOM 537 C VAL A 35 11.912 -1.878 3.173 1.00 0.18 C ATOM 538 O VAL A 35 12.012 -0.679 3.423 1.00 0.20 O ATOM 539 CB VAL A 35 14.143 -3.031 2.937 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.127 -3.984 3.592 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.807 -3.503 1.532 1.00 0.22 C ATOM 0 H VAL A 35 12.496 -4.910 3.413 1.00 0.17 H new ATOM 0 HA VAL A 35 13.188 -2.513 4.781 1.00 0.19 H new ATOM 0 HB VAL A 35 14.604 -2.047 2.857 1.00 0.22 H new ATOM 0 HG11 VAL A 35 16.015 -4.076 2.967 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.410 -3.598 4.571 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.663 -4.963 3.708 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.724 -3.595 0.950 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.311 -4.472 1.583 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.145 -2.781 1.054 1.00 0.22 H new ATOM 551 N ALA A 36 10.972 -2.374 2.366 1.00 0.16 N ATOM 552 CA ALA A 36 9.943 -1.524 1.779 1.00 0.16 C ATOM 553 C ALA A 36 9.130 -0.844 2.871 1.00 0.15 C ATOM 554 O ALA A 36 8.993 0.378 2.884 1.00 0.15 O ATOM 555 CB ALA A 36 9.029 -2.331 0.866 1.00 0.18 C ATOM 0 H ALA A 36 10.905 -3.358 2.107 1.00 0.16 H new ATOM 0 HA ALA A 36 10.436 -0.758 1.180 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.270 -1.675 0.440 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.617 -2.775 0.063 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.545 -3.121 1.441 1.00 0.18 H new ATOM 561 N MET A 37 8.606 -1.646 3.798 1.00 0.14 N ATOM 562 CA MET A 37 7.839 -1.132 4.923 1.00 0.14 C ATOM 563 C MET A 37 8.647 -0.129 5.733 1.00 0.15 C ATOM 564 O MET A 37 8.110 0.876 6.199 1.00 0.18 O ATOM 565 CB MET A 37 7.395 -2.280 5.826 1.00 0.16 C ATOM 566 CG MET A 37 6.353 -3.189 5.196 1.00 0.16 C ATOM 567 SD MET A 37 5.799 -4.495 6.311 1.00 0.21 S ATOM 568 CE MET A 37 7.299 -5.453 6.507 1.00 0.19 C ATOM 0 H MET A 37 8.702 -2.661 3.787 1.00 0.14 H new ATOM 0 HA MET A 37 6.963 -0.623 4.522 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.267 -2.875 6.096 1.00 0.16 H new ATOM 0 HB3 MET A 37 6.992 -1.867 6.751 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.495 -2.592 4.888 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.768 -3.639 4.294 1.00 0.16 H new ATOM 0 HE1 MET A 37 7.070 -6.386 7.022 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.720 -5.674 5.526 1.00 0.19 H new ATOM 0 HE3 MET A 37 8.021 -4.883 7.092 1.00 0.19 H new ATOM 578 N ASP A 38 9.934 -0.407 5.898 1.00 0.17 N ATOM 579 CA ASP A 38 10.820 0.485 6.639 1.00 0.23 C ATOM 580 C ASP A 38 10.915 1.840 5.950 1.00 0.19 C ATOM 581 O ASP A 38 10.801 2.882 6.595 1.00 0.22 O ATOM 582 CB ASP A 38 12.214 -0.128 6.773 1.00 0.33 C ATOM 583 CG ASP A 38 13.124 0.698 7.663 1.00 0.89 C ATOM 584 OD1 ASP A 38 13.078 0.512 8.900 1.00 1.41 O ATOM 585 OD2 ASP A 38 13.898 1.524 7.140 1.00 1.68 O ATOM 0 H ASP A 38 10.388 -1.242 5.529 1.00 0.17 H new ATOM 0 HA ASP A 38 10.401 0.625 7.635 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.128 -1.135 7.181 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.664 -0.222 5.785 1.00 0.33 H new ATOM 590 N CYS A 39 11.100 1.814 4.636 1.00 0.17 N ATOM 591 CA CYS A 39 11.181 3.036 3.845 1.00 0.18 C ATOM 592 C CYS A 39 9.877 3.826 3.934 1.00 0.16 C ATOM 593 O CYS A 39 9.884 5.053 4.048 1.00 0.19 O ATOM 594 CB CYS A 39 11.490 2.700 2.386 1.00 0.20 C ATOM 595 SG CYS A 39 13.009 1.749 2.152 1.00 0.26 S ATOM 0 H CYS A 39 11.197 0.956 4.093 1.00 0.17 H new ATOM 0 HA CYS A 39 11.986 3.651 4.247 1.00 0.18 H new ATOM 0 HB2 CYS A 39 10.654 2.138 1.969 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.564 3.628 1.819 1.00 0.20 H new ATOM 0 HG CYS A 39 12.822 0.527 2.553 1.00 0.26 H new ATOM 601 N ILE A 40 8.757 3.112 3.898 1.00 0.13 N ATOM 602 CA ILE A 40 7.445 3.734 4.012 1.00 0.13 C ATOM 603 C ILE A 40 7.283 4.384 5.384 1.00 0.15 C ATOM 604 O ILE A 40 6.877 5.544 5.495 1.00 0.16 O ATOM 605 CB ILE A 40 6.317 2.698 3.798 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.445 2.051 2.417 1.00 0.14 C ATOM 607 CG2 ILE A 40 4.952 3.354 3.953 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.500 0.889 2.197 1.00 0.16 C ATOM 0 H ILE A 40 8.733 2.098 3.790 1.00 0.13 H new ATOM 0 HA ILE A 40 7.371 4.497 3.237 1.00 0.13 H new ATOM 0 HB ILE A 40 6.413 1.921 4.557 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.261 2.807 1.653 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.470 1.705 2.282 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.171 2.610 3.799 1.00 0.16 H new ATOM 0 HG22 ILE A 40 4.861 3.773 4.955 1.00 0.16 H new ATOM 0 HG23 ILE A 40 4.845 4.150 3.216 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.650 0.483 1.197 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.698 0.114 2.937 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.471 1.233 2.299 1.00 0.16 H new ATOM 620 N SER A 41 7.633 3.634 6.421 1.00 0.21 N ATOM 621 CA SER A 41 7.524 4.111 7.791 1.00 0.28 C ATOM 622 C SER A 41 8.419 5.328 8.015 1.00 0.30 C ATOM 623 O SER A 41 8.018 6.292 8.665 1.00 0.34 O ATOM 624 CB SER A 41 7.892 2.990 8.764 1.00 0.37 C ATOM 625 OG SER A 41 7.103 1.837 8.522 1.00 1.13 O ATOM 0 H SER A 41 7.998 2.685 6.336 1.00 0.21 H new ATOM 0 HA SER A 41 6.493 4.413 7.973 1.00 0.28 H new ATOM 0 HB2 SER A 41 8.948 2.743 8.659 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.745 3.329 9.789 1.00 0.37 H new ATOM 0 HG SER A 41 7.414 1.393 7.705 1.00 1.13 H new ATOM 631 N GLU A 42 9.625 5.275 7.461 1.00 0.32 N ATOM 632 CA GLU A 42 10.566 6.385 7.555 1.00 0.37 C ATOM 633 C GLU A 42 10.016 7.623 6.855 1.00 0.31 C ATOM 634 O GLU A 42 10.126 8.738 7.367 1.00 0.44 O ATOM 635 CB GLU A 42 11.914 5.994 6.939 1.00 0.46 C ATOM 636 CG GLU A 42 12.978 7.072 7.067 1.00 0.59 C ATOM 637 CD GLU A 42 14.303 6.665 6.458 1.00 1.45 C ATOM 638 OE1 GLU A 42 14.938 5.726 6.984 1.00 2.00 O ATOM 639 OE2 GLU A 42 14.730 7.291 5.466 1.00 2.23 O ATOM 0 H GLU A 42 9.975 4.471 6.940 1.00 0.32 H new ATOM 0 HA GLU A 42 10.710 6.618 8.610 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.272 5.083 7.418 1.00 0.46 H new ATOM 0 HB3 GLU A 42 11.768 5.763 5.884 1.00 0.46 H new ATOM 0 HG2 GLU A 42 12.626 7.983 6.583 1.00 0.59 H new ATOM 0 HG3 GLU A 42 13.125 7.307 8.121 1.00 0.59 H new ATOM 646 N ALA A 43 9.404 7.412 5.697 1.00 0.18 N ATOM 647 CA ALA A 43 8.912 8.505 4.867 1.00 0.16 C ATOM 648 C ALA A 43 7.833 9.322 5.572 1.00 0.17 C ATOM 649 O ALA A 43 7.811 10.547 5.470 1.00 0.25 O ATOM 650 CB ALA A 43 8.382 7.963 3.548 1.00 0.19 C ATOM 0 H ALA A 43 9.235 6.484 5.308 1.00 0.18 H new ATOM 0 HA ALA A 43 9.752 9.173 4.675 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.017 8.788 2.936 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.182 7.445 3.019 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.566 7.267 3.742 1.00 0.19 H new ATOM 656 N PHE A 44 6.943 8.651 6.291 1.00 0.19 N ATOM 657 CA PHE A 44 5.833 9.342 6.939 1.00 0.26 C ATOM 658 C PHE A 44 6.053 9.482 8.444 1.00 0.30 C ATOM 659 O PHE A 44 5.244 10.086 9.147 1.00 0.35 O ATOM 660 CB PHE A 44 4.512 8.629 6.650 1.00 0.27 C ATOM 661 CG PHE A 44 4.180 8.574 5.189 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.792 9.720 4.513 1.00 1.15 C ATOM 663 CD2 PHE A 44 4.267 7.384 4.487 1.00 1.10 C ATOM 664 CE1 PHE A 44 3.495 9.679 3.166 1.00 1.15 C ATOM 665 CE2 PHE A 44 3.969 7.336 3.139 1.00 1.13 C ATOM 666 CZ PHE A 44 3.584 8.485 2.477 1.00 0.31 C ATOM 0 H PHE A 44 6.965 7.642 6.440 1.00 0.19 H new ATOM 0 HA PHE A 44 5.785 10.348 6.521 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.560 7.614 7.044 1.00 0.27 H new ATOM 0 HB3 PHE A 44 3.707 9.139 7.180 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.721 10.656 5.047 1.00 1.15 H new ATOM 0 HD2 PHE A 44 4.571 6.483 4.999 1.00 1.10 H new ATOM 0 HE1 PHE A 44 3.193 10.579 2.651 1.00 1.15 H new ATOM 0 HE2 PHE A 44 4.037 6.401 2.603 1.00 1.13 H new ATOM 0 HZ PHE A 44 3.353 8.450 1.423 1.00 0.31 H new ATOM 676 N GLY A 45 7.149 8.907 8.926 1.00 0.29 N ATOM 677 CA GLY A 45 7.545 9.073 10.314 1.00 0.35 C ATOM 678 C GLY A 45 6.628 8.364 11.290 1.00 0.37 C ATOM 679 O GLY A 45 6.239 8.937 12.309 1.00 0.43 O ATOM 0 H GLY A 45 7.777 8.323 8.374 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.560 8.697 10.442 1.00 0.35 H new ATOM 0 HA3 GLY A 45 7.566 10.136 10.553 1.00 0.35 H new ATOM 683 N PHE A 46 6.293 7.117 10.995 1.00 0.36 N ATOM 684 CA PHE A 46 5.408 6.350 11.862 1.00 0.39 C ATOM 685 C PHE A 46 5.972 4.954 12.095 1.00 0.40 C ATOM 686 O PHE A 46 6.881 4.519 11.390 1.00 0.41 O ATOM 687 CB PHE A 46 3.996 6.268 11.263 1.00 0.37 C ATOM 688 CG PHE A 46 3.874 5.397 10.042 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.378 5.809 8.821 1.00 1.17 C ATOM 690 CD2 PHE A 46 3.246 4.165 10.121 1.00 1.27 C ATOM 691 CE1 PHE A 46 4.258 5.008 7.701 1.00 1.18 C ATOM 692 CE2 PHE A 46 3.122 3.361 9.005 1.00 1.26 C ATOM 693 CZ PHE A 46 3.630 3.783 7.793 1.00 0.22 C ATOM 0 H PHE A 46 6.617 6.616 10.168 1.00 0.36 H new ATOM 0 HA PHE A 46 5.341 6.862 12.822 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.314 5.894 12.027 1.00 0.37 H new ATOM 0 HB3 PHE A 46 3.667 7.275 11.007 1.00 0.37 H new ATOM 0 HD1 PHE A 46 4.871 6.767 8.742 1.00 1.17 H new ATOM 0 HD2 PHE A 46 2.848 3.829 11.067 1.00 1.27 H new ATOM 0 HE1 PHE A 46 4.656 5.341 6.754 1.00 1.18 H new ATOM 0 HE2 PHE A 46 2.628 2.403 9.081 1.00 1.26 H new ATOM 0 HZ PHE A 46 3.536 3.156 6.919 1.00 0.22 H new ATOM 703 N GLU A 47 5.437 4.268 13.093 1.00 0.42 N ATOM 704 CA GLU A 47 5.882 2.921 13.433 1.00 0.44 C ATOM 705 C GLU A 47 4.967 1.897 12.783 1.00 0.40 C ATOM 706 O GLU A 47 3.791 2.172 12.545 1.00 0.39 O ATOM 707 CB GLU A 47 5.863 2.733 14.947 1.00 0.53 C ATOM 708 CG GLU A 47 6.776 3.688 15.691 1.00 0.59 C ATOM 709 CD GLU A 47 6.577 3.630 17.188 1.00 1.14 C ATOM 710 OE1 GLU A 47 7.246 2.814 17.855 1.00 1.92 O ATOM 711 OE2 GLU A 47 5.752 4.407 17.710 1.00 1.56 O ATOM 0 H GLU A 47 4.688 4.624 13.687 1.00 0.42 H new ATOM 0 HA GLU A 47 6.899 2.781 13.067 1.00 0.44 H new ATOM 0 HB2 GLU A 47 4.843 2.864 15.308 1.00 0.53 H new ATOM 0 HB3 GLU A 47 6.155 1.709 15.181 1.00 0.53 H new ATOM 0 HG2 GLU A 47 7.814 3.451 15.456 1.00 0.59 H new ATOM 0 HG3 GLU A 47 6.595 4.705 15.343 1.00 0.59 H new ATOM 718 N ARG A 48 5.489 0.700 12.540 1.00 0.41 N ATOM 719 CA ARG A 48 4.734 -0.327 11.836 1.00 0.40 C ATOM 720 C ARG A 48 3.791 -1.013 12.812 1.00 0.41 C ATOM 721 O ARG A 48 2.799 -1.622 12.421 1.00 0.43 O ATOM 722 CB ARG A 48 5.670 -1.363 11.213 1.00 0.44 C ATOM 723 CG ARG A 48 6.819 -0.760 10.423 1.00 0.61 C ATOM 724 CD ARG A 48 7.652 -1.834 9.739 1.00 0.91 C ATOM 725 NE ARG A 48 8.101 -2.869 10.673 1.00 1.18 N ATOM 726 CZ ARG A 48 9.248 -3.539 10.556 1.00 1.88 C ATOM 727 NH1 ARG A 48 10.133 -3.197 9.627 1.00 2.57 N ATOM 728 NH2 ARG A 48 9.525 -4.526 11.395 1.00 2.20 N ATOM 0 H ARG A 48 6.429 0.419 12.819 1.00 0.41 H new ATOM 0 HA ARG A 48 4.165 0.145 11.035 1.00 0.40 H new ATOM 0 HB2 ARG A 48 6.077 -1.992 12.004 1.00 0.44 H new ATOM 0 HB3 ARG A 48 5.091 -2.012 10.556 1.00 0.44 H new ATOM 0 HG2 ARG A 48 6.425 -0.072 9.675 1.00 0.61 H new ATOM 0 HG3 ARG A 48 7.453 -0.176 11.090 1.00 0.61 H new ATOM 0 HD2 ARG A 48 7.065 -2.295 8.945 1.00 0.91 H new ATOM 0 HD3 ARG A 48 8.520 -1.372 9.267 1.00 0.91 H new ATOM 0 HE ARG A 48 7.497 -3.092 11.464 1.00 1.18 H new ATOM 0 HH11 ARG A 48 9.937 -2.418 8.998 1.00 2.57 H new ATOM 0 HH12 ARG A 48 11.009 -3.713 9.542 1.00 2.57 H new ATOM 0 HH21 ARG A 48 8.861 -4.773 12.129 1.00 2.20 H new ATOM 0 HH22 ARG A 48 10.402 -5.039 11.307 1.00 2.20 H new ATOM 742 N GLU A 49 4.132 -0.922 14.092 1.00 0.42 N ATOM 743 CA GLU A 49 3.337 -1.518 15.155 1.00 0.46 C ATOM 744 C GLU A 49 2.225 -0.570 15.595 1.00 0.42 C ATOM 745 O GLU A 49 1.302 -0.963 16.307 1.00 0.46 O ATOM 746 CB GLU A 49 4.232 -1.866 16.349 1.00 0.56 C ATOM 747 CG GLU A 49 4.975 -0.668 16.925 1.00 1.14 C ATOM 748 CD GLU A 49 5.894 -1.042 18.069 1.00 1.54 C ATOM 749 OE1 GLU A 49 7.066 -1.383 17.806 1.00 2.06 O ATOM 750 OE2 GLU A 49 5.453 -0.994 19.237 1.00 2.23 O ATOM 0 H GLU A 49 4.965 -0.434 14.420 1.00 0.42 H new ATOM 0 HA GLU A 49 2.881 -2.431 14.772 1.00 0.46 H new ATOM 0 HB2 GLU A 49 3.620 -2.314 17.132 1.00 0.56 H new ATOM 0 HB3 GLU A 49 4.958 -2.619 16.041 1.00 0.56 H new ATOM 0 HG2 GLU A 49 5.559 -0.195 16.136 1.00 1.14 H new ATOM 0 HG3 GLU A 49 4.252 0.070 17.272 1.00 1.14 H new ATOM 757 N ALA A 50 2.311 0.678 15.149 1.00 0.40 N ATOM 758 CA ALA A 50 1.347 1.699 15.535 1.00 0.42 C ATOM 759 C ALA A 50 0.185 1.750 14.551 1.00 0.37 C ATOM 760 O ALA A 50 -0.693 2.608 14.658 1.00 0.41 O ATOM 761 CB ALA A 50 2.027 3.054 15.624 1.00 0.48 C ATOM 0 H ALA A 50 3.041 1.007 14.518 1.00 0.40 H new ATOM 0 HA ALA A 50 0.948 1.441 16.516 1.00 0.42 H new ATOM 0 HB1 ALA A 50 1.296 3.809 15.913 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.822 3.014 16.369 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.451 3.313 14.654 1.00 0.48 H new ATOM 767 N VAL A 51 0.202 0.834 13.586 1.00 0.33 N ATOM 768 CA VAL A 51 -0.860 0.733 12.589 1.00 0.31 C ATOM 769 C VAL A 51 -2.246 0.721 13.227 1.00 0.36 C ATOM 770 O VAL A 51 -3.131 1.436 12.781 1.00 0.41 O ATOM 771 CB VAL A 51 -0.699 -0.514 11.689 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.447 -0.316 10.714 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.479 -1.773 12.520 1.00 0.33 C ATOM 0 H VAL A 51 0.946 0.146 13.473 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.768 1.624 11.968 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.623 -0.643 11.126 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.548 -1.202 10.087 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.245 0.552 10.086 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.372 -0.155 11.268 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.370 -2.632 11.858 1.00 0.33 H new ATOM 0 HG22 VAL A 51 0.424 -1.660 13.120 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.334 -1.929 13.178 1.00 0.33 H new ATOM 783 N SER A 52 -2.417 -0.061 14.286 1.00 0.37 N ATOM 784 CA SER A 52 -3.704 -0.179 14.962 1.00 0.45 C ATOM 785 C SER A 52 -4.220 1.187 15.417 1.00 0.48 C ATOM 786 O SER A 52 -5.382 1.536 15.191 1.00 0.51 O ATOM 787 CB SER A 52 -3.556 -1.121 16.154 1.00 0.53 C ATOM 788 OG SER A 52 -2.355 -0.849 16.855 1.00 1.24 O ATOM 0 H SER A 52 -1.675 -0.627 14.698 1.00 0.37 H new ATOM 0 HA SER A 52 -4.434 -0.585 14.262 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.409 -1.007 16.823 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.557 -2.155 15.810 1.00 0.53 H new ATOM 0 HG SER A 52 -2.276 -1.460 17.617 1.00 1.24 H new ATOM 794 N GLY A 53 -3.348 1.940 16.077 1.00 0.51 N ATOM 795 CA GLY A 53 -3.665 3.300 16.483 1.00 0.57 C ATOM 796 C GLY A 53 -4.196 4.151 15.341 1.00 0.55 C ATOM 797 O GLY A 53 -5.198 4.850 15.493 1.00 0.59 O ATOM 0 H GLY A 53 -2.414 1.629 16.342 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -4.405 3.272 17.283 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -2.771 3.769 16.893 1.00 0.57 H new ATOM 801 N ILE A 54 -3.542 4.072 14.191 1.00 0.50 N ATOM 802 CA ILE A 54 -3.922 4.874 13.032 1.00 0.51 C ATOM 803 C ILE A 54 -5.167 4.296 12.357 1.00 0.50 C ATOM 804 O ILE A 54 -6.073 5.026 11.958 1.00 0.57 O ATOM 805 CB ILE A 54 -2.772 4.947 12.005 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.485 5.427 12.685 1.00 0.48 C ATOM 807 CG2 ILE A 54 -3.143 5.873 10.854 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.267 5.384 11.787 1.00 0.49 C ATOM 0 H ILE A 54 -2.742 3.459 14.033 1.00 0.50 H new ATOM 0 HA ILE A 54 -4.141 5.880 13.390 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.602 3.949 11.601 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.630 6.449 13.036 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.298 4.811 13.565 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -2.321 5.913 10.139 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -4.037 5.496 10.358 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -3.337 6.874 11.240 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.604 5.738 12.338 1.00 0.49 H new ATOM 0 HD12 ILE A 54 -0.095 4.360 11.456 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.432 6.023 10.919 1.00 0.49 H new ATOM 820 N LEU A 55 -5.214 2.976 12.265 1.00 0.47 N ATOM 821 CA LEU A 55 -6.302 2.274 11.593 1.00 0.48 C ATOM 822 C LEU A 55 -7.614 2.399 12.354 1.00 0.55 C ATOM 823 O LEU A 55 -8.684 2.178 11.788 1.00 0.65 O ATOM 824 CB LEU A 55 -5.956 0.796 11.394 1.00 0.48 C ATOM 825 CG LEU A 55 -4.716 0.525 10.541 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.539 -0.967 10.311 1.00 0.52 C ATOM 827 CD2 LEU A 55 -4.801 1.270 9.219 1.00 0.46 C ATOM 0 H LEU A 55 -4.500 2.359 12.653 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.431 2.746 10.619 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -5.811 0.339 12.373 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -6.810 0.299 10.933 1.00 0.48 H new ATOM 0 HG LEU A 55 -3.842 0.891 11.080 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.651 -1.138 9.702 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.424 -1.472 11.270 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.414 -1.362 9.796 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -3.909 1.064 8.627 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.684 0.940 8.672 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -4.871 2.341 9.409 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.586 -10.246 -3.833 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.704 -9.249 -3.248 1.00 0.36 C ATOM 1169 C LYS B 5 -1.030 -8.445 -4.348 1.00 0.27 C ATOM 1170 O LYS B 5 -0.527 -7.350 -4.113 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.670 -9.908 -2.325 1.00 0.42 C ATOM 1172 CG LYS B 5 -0.049 -11.179 -2.879 1.00 0.41 C ATOM 1173 CD LYS B 5 0.807 -11.875 -1.837 1.00 0.54 C ATOM 1174 CE LYS B 5 1.228 -13.263 -2.292 1.00 0.73 C ATOM 1175 NZ LYS B 5 0.070 -14.194 -2.386 1.00 1.14 N ATOM 0 HA LYS B 5 -2.297 -8.568 -2.638 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.124 -9.190 -2.120 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -1.147 -10.137 -1.372 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -0.836 -11.854 -3.216 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.559 -10.939 -3.751 1.00 0.41 H new ATOM 0 HD2 LYS B 5 1.693 -11.274 -1.634 1.00 0.54 H new ATOM 0 HD3 LYS B 5 0.252 -11.951 -0.902 1.00 0.54 H new ATOM 0 HE2 LYS B 5 1.717 -13.193 -3.264 1.00 0.73 H new ATOM 0 HE3 LYS B 5 1.962 -13.666 -1.594 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 0.412 -15.153 -2.600 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 -0.442 -14.203 -1.481 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 -0.569 -13.877 -3.143 1.00 1.14 H new ATOM 1189 N GLU B 6 -1.043 -9.004 -5.554 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.565 -8.305 -6.736 1.00 0.36 C ATOM 1191 C GLU B 6 -1.460 -7.100 -7.032 1.00 0.38 C ATOM 1192 O GLU B 6 -0.969 -6.012 -7.341 1.00 0.40 O ATOM 1193 CB GLU B 6 -0.544 -9.272 -7.923 1.00 0.49 C ATOM 1194 CG GLU B 6 -0.081 -8.650 -9.229 1.00 0.99 C ATOM 1195 CD GLU B 6 0.000 -9.665 -10.350 1.00 1.46 C ATOM 1196 OE1 GLU B 6 -1.061 -10.165 -10.786 1.00 2.00 O ATOM 1197 OE2 GLU B 6 1.124 -9.977 -10.795 1.00 2.11 O ATOM 0 H GLU B 6 -1.383 -9.948 -5.736 1.00 0.29 H new ATOM 0 HA GLU B 6 0.447 -7.940 -6.561 1.00 0.36 H new ATOM 0 HB2 GLU B 6 0.110 -10.110 -7.682 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -1.546 -9.679 -8.063 1.00 0.49 H new ATOM 0 HG2 GLU B 6 -0.767 -7.852 -9.513 1.00 0.99 H new ATOM 0 HG3 GLU B 6 0.898 -8.192 -9.084 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.771 -7.304 -6.908 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.748 -6.234 -7.103 1.00 0.48 C ATOM 1206 C GLU B 7 -3.481 -5.084 -6.145 1.00 0.40 C ATOM 1207 O GLU B 7 -3.386 -3.923 -6.545 1.00 0.39 O ATOM 1208 CB GLU B 7 -5.168 -6.745 -6.858 1.00 0.61 C ATOM 1209 CG GLU B 7 -5.632 -7.817 -7.823 1.00 0.74 C ATOM 1210 CD GLU B 7 -7.000 -8.351 -7.451 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -8.014 -7.720 -7.817 1.00 1.25 O ATOM 1212 OE2 GLU B 7 -7.072 -9.398 -6.784 1.00 1.68 O ATOM 0 H GLU B 7 -3.183 -8.207 -6.672 1.00 0.41 H new ATOM 0 HA GLU B 7 -3.653 -5.889 -8.133 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -5.228 -7.139 -5.843 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.857 -5.902 -6.914 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -5.663 -7.409 -8.833 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.912 -8.635 -7.832 1.00 0.74 H new ATOM 1219 N ILE B 8 -3.356 -5.428 -4.870 1.00 0.37 N ATOM 1220 CA ILE B 8 -3.185 -4.436 -3.826 1.00 0.35 C ATOM 1221 C ILE B 8 -1.843 -3.726 -3.962 1.00 0.27 C ATOM 1222 O ILE B 8 -1.772 -2.505 -3.839 1.00 0.24 O ATOM 1223 CB ILE B 8 -3.321 -5.069 -2.425 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.675 -5.780 -2.316 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -3.177 -4.010 -1.337 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -4.935 -6.412 -0.967 1.00 0.96 C ATOM 0 H ILE B 8 -3.370 -6.392 -4.537 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.978 -3.697 -3.942 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.523 -5.799 -2.285 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -5.468 -5.063 -2.528 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.730 -6.552 -3.083 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -3.276 -4.478 -0.358 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -2.198 -3.538 -1.416 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.954 -3.255 -1.459 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -5.913 -6.894 -0.973 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -4.166 -7.155 -0.759 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -4.914 -5.643 -0.195 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.786 -4.488 -4.238 1.00 0.24 N ATOM 1239 CA ALA B 9 0.544 -3.916 -4.440 1.00 0.20 C ATOM 1240 C ALA B 9 0.535 -2.868 -5.550 1.00 0.19 C ATOM 1241 O ALA B 9 1.198 -1.834 -5.444 1.00 0.16 O ATOM 1242 CB ALA B 9 1.551 -5.010 -4.757 1.00 0.21 C ATOM 0 H ALA B 9 -0.825 -5.503 -4.327 1.00 0.24 H new ATOM 0 HA ALA B 9 0.838 -3.423 -3.514 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.536 -4.566 -4.904 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.592 -5.718 -3.929 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.248 -5.531 -5.665 1.00 0.21 H new ATOM 1248 N ALA B 10 -0.229 -3.138 -6.606 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.367 -2.201 -7.713 1.00 0.25 C ATOM 1250 C ALA B 10 -0.973 -0.884 -7.233 1.00 0.23 C ATOM 1251 O ALA B 10 -0.479 0.194 -7.564 1.00 0.22 O ATOM 1252 CB ALA B 10 -1.213 -2.809 -8.820 1.00 0.33 C ATOM 0 H ALA B 10 -0.762 -4.001 -6.716 1.00 0.23 H new ATOM 0 HA ALA B 10 0.625 -1.992 -8.113 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.307 -2.096 -9.640 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.737 -3.720 -9.183 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -2.203 -3.048 -8.432 1.00 0.33 H new ATOM 1258 N LEU B 11 -2.037 -0.978 -6.443 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.654 0.206 -5.851 1.00 0.29 C ATOM 1260 C LEU B 11 -1.653 0.937 -4.965 1.00 0.26 C ATOM 1261 O LEU B 11 -1.543 2.163 -5.009 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.878 -0.181 -5.009 1.00 0.38 C ATOM 1263 CG LEU B 11 -5.122 -0.609 -5.788 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -6.130 -1.263 -4.857 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.753 0.590 -6.481 1.00 0.63 C ATOM 0 H LEU B 11 -2.490 -1.858 -6.198 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.970 0.860 -6.664 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -3.593 -0.996 -4.343 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -4.143 0.668 -4.379 1.00 0.38 H new ATOM 0 HG LEU B 11 -4.822 -1.333 -6.545 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -7.010 -1.562 -5.426 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -5.681 -2.142 -4.394 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -6.423 -0.554 -4.082 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -6.637 0.268 -7.031 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -6.039 1.332 -5.736 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.035 1.030 -7.173 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.923 0.160 -4.181 1.00 0.21 N ATOM 1278 CA ILE B 12 0.034 0.684 -3.218 1.00 0.20 C ATOM 1279 C ILE B 12 1.118 1.529 -3.887 1.00 0.18 C ATOM 1280 O ILE B 12 1.323 2.688 -3.517 1.00 0.20 O ATOM 1281 CB ILE B 12 0.678 -0.472 -2.422 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.374 -1.121 -1.518 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.866 0.020 -1.610 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.106 -2.361 -0.797 1.00 0.24 C ATOM 0 H ILE B 12 -0.978 -0.858 -4.195 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.514 1.334 -2.535 1.00 0.20 H new ATOM 0 HB ILE B 12 1.050 -1.219 -3.123 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.703 -0.390 -0.780 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.245 -1.379 -2.121 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.301 -0.814 -1.059 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.615 0.442 -2.280 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.535 0.785 -0.908 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.700 -2.757 -0.179 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.407 -3.113 -1.527 1.00 0.24 H new ATOM 0 HD13 ILE B 12 0.957 -2.108 -0.165 1.00 0.24 H new ATOM 1296 N VAL B 13 1.804 0.963 -4.874 1.00 0.16 N ATOM 1297 CA VAL B 13 2.885 1.682 -5.535 1.00 0.16 C ATOM 1298 C VAL B 13 2.349 2.879 -6.319 1.00 0.16 C ATOM 1299 O VAL B 13 2.951 3.952 -6.314 1.00 0.18 O ATOM 1300 CB VAL B 13 3.727 0.769 -6.462 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.433 -0.307 -5.650 1.00 0.16 C ATOM 1302 CG2 VAL B 13 2.874 0.135 -7.550 1.00 0.14 C ATOM 0 H VAL B 13 1.634 0.022 -5.230 1.00 0.16 H new ATOM 0 HA VAL B 13 3.545 2.041 -4.745 1.00 0.16 H new ATOM 0 HB VAL B 13 4.475 1.394 -6.949 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.020 -0.939 -6.316 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.093 0.162 -4.920 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.693 -0.916 -5.131 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.499 -0.498 -8.180 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.091 -0.469 -7.092 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.420 0.917 -8.159 1.00 0.14 H new ATOM 1312 N ASN B 14 1.205 2.697 -6.973 1.00 0.18 N ATOM 1313 CA ASN B 14 0.568 3.785 -7.712 1.00 0.21 C ATOM 1314 C ASN B 14 0.216 4.937 -6.773 1.00 0.19 C ATOM 1315 O ASN B 14 0.282 6.106 -7.152 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.694 3.301 -8.432 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.223 4.325 -9.420 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -0.458 5.088 -10.012 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -2.533 4.354 -9.608 1.00 0.57 N ATOM 0 H ASN B 14 0.701 1.811 -7.007 1.00 0.18 H new ATOM 0 HA ASN B 14 1.279 4.137 -8.459 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.476 2.371 -8.958 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.466 3.077 -7.696 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -2.940 5.024 -10.261 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.136 3.707 -9.100 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.140 4.599 -5.540 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.485 5.608 -4.550 1.00 0.24 C ATOM 1328 C TYR B 15 0.730 6.456 -4.197 1.00 0.21 C ATOM 1329 O TYR B 15 0.663 7.685 -4.228 1.00 0.23 O ATOM 1330 CB TYR B 15 -1.065 4.977 -3.284 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.522 6.009 -2.278 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.554 6.885 -2.588 1.00 1.19 C ATOM 1333 CD2 TYR B 15 -0.920 6.119 -1.031 1.00 1.30 C ATOM 1334 CE1 TYR B 15 -2.974 7.840 -1.688 1.00 1.21 C ATOM 1335 CE2 TYR B 15 -1.337 7.072 -0.122 1.00 1.39 C ATOM 1336 CZ TYR B 15 -2.364 7.931 -0.458 1.00 0.64 C ATOM 1337 OH TYR B 15 -2.783 8.883 0.438 1.00 0.79 O ATOM 0 H TYR B 15 -0.197 3.638 -5.204 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.249 6.248 -4.992 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -1.907 4.339 -3.553 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.313 4.335 -2.825 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.036 6.816 -3.552 1.00 1.19 H new ATOM 0 HD2 TYR B 15 -0.114 5.450 -0.768 1.00 1.30 H new ATOM 0 HE1 TYR B 15 -3.778 8.514 -1.947 1.00 1.21 H new ATOM 0 HE2 TYR B 15 -0.862 7.145 0.845 1.00 1.39 H new ATOM 0 HH TYR B 15 -3.651 9.240 0.154 1.00 0.79 H new ATOM 1347 N PHE B 16 1.842 5.804 -3.875 1.00 0.20 N ATOM 1348 CA PHE B 16 3.064 6.524 -3.531 1.00 0.20 C ATOM 1349 C PHE B 16 3.570 7.315 -4.727 1.00 0.19 C ATOM 1350 O PHE B 16 4.138 8.397 -4.570 1.00 0.20 O ATOM 1351 CB PHE B 16 4.153 5.573 -3.030 1.00 0.20 C ATOM 1352 CG PHE B 16 3.813 4.885 -1.736 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.342 5.609 -0.649 1.00 0.91 C ATOM 1354 CD2 PHE B 16 3.971 3.514 -1.601 1.00 1.04 C ATOM 1355 CE1 PHE B 16 3.034 4.980 0.539 1.00 0.91 C ATOM 1356 CE2 PHE B 16 3.666 2.883 -0.414 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.196 3.615 0.657 1.00 0.22 C ATOM 0 H PHE B 16 1.923 4.788 -3.845 1.00 0.20 H new ATOM 0 HA PHE B 16 2.823 7.215 -2.723 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.341 4.818 -3.793 1.00 0.20 H new ATOM 0 HB3 PHE B 16 5.079 6.133 -2.900 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.215 6.678 -0.735 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.337 2.934 -2.435 1.00 1.04 H new ATOM 0 HE1 PHE B 16 2.666 5.555 1.376 1.00 0.91 H new ATOM 0 HE2 PHE B 16 3.795 1.815 -0.322 1.00 1.04 H new ATOM 0 HZ PHE B 16 2.955 3.120 1.586 1.00 0.22 H new ATOM 1367 N SER B 17 3.348 6.779 -5.921 1.00 0.19 N ATOM 1368 CA SER B 17 3.680 7.492 -7.142 1.00 0.20 C ATOM 1369 C SER B 17 2.884 8.792 -7.218 1.00 0.20 C ATOM 1370 O SER B 17 3.426 9.846 -7.530 1.00 0.24 O ATOM 1371 CB SER B 17 3.396 6.617 -8.367 1.00 0.21 C ATOM 1372 OG SER B 17 4.156 5.417 -8.327 1.00 0.90 O ATOM 0 H SER B 17 2.940 5.855 -6.067 1.00 0.19 H new ATOM 0 HA SER B 17 4.743 7.731 -7.132 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.334 6.377 -8.408 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.633 7.171 -9.276 1.00 0.21 H new ATOM 0 HG SER B 17 4.654 5.373 -7.484 1.00 0.90 H new ATOM 1378 N SER B 18 1.599 8.714 -6.892 1.00 0.24 N ATOM 1379 CA SER B 18 0.739 9.886 -6.902 1.00 0.25 C ATOM 1380 C SER B 18 1.191 10.894 -5.838 1.00 0.25 C ATOM 1381 O SER B 18 1.182 12.103 -6.071 1.00 0.29 O ATOM 1382 CB SER B 18 -0.718 9.472 -6.666 1.00 0.26 C ATOM 1383 OG SER B 18 -1.610 10.543 -6.917 1.00 0.84 O ATOM 0 H SER B 18 1.132 7.850 -6.618 1.00 0.24 H new ATOM 0 HA SER B 18 0.812 10.365 -7.878 1.00 0.25 H new ATOM 0 HB2 SER B 18 -0.967 8.631 -7.312 1.00 0.26 H new ATOM 0 HB3 SER B 18 -0.838 9.131 -5.638 1.00 0.26 H new ATOM 0 HG SER B 18 -2.530 10.246 -6.759 1.00 0.84 H new ATOM 1389 N ILE B 19 1.617 10.386 -4.681 1.00 0.23 N ATOM 1390 CA ILE B 19 2.073 11.242 -3.587 1.00 0.24 C ATOM 1391 C ILE B 19 3.289 12.068 -4.001 1.00 0.25 C ATOM 1392 O ILE B 19 3.362 13.263 -3.708 1.00 0.28 O ATOM 1393 CB ILE B 19 2.419 10.424 -2.317 1.00 0.24 C ATOM 1394 CG1 ILE B 19 1.189 9.653 -1.822 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.958 11.331 -1.209 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.014 10.532 -1.541 1.00 0.27 C ATOM 0 H ILE B 19 1.656 9.387 -4.478 1.00 0.23 H new ATOM 0 HA ILE B 19 1.245 11.912 -3.353 1.00 0.24 H new ATOM 0 HB ILE B 19 3.198 9.709 -2.580 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.915 8.907 -2.568 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.452 9.113 -0.913 1.00 0.25 H new ATOM 0 HG21 ILE B 19 3.193 10.731 -0.330 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.861 11.833 -1.557 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.205 12.076 -0.950 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -0.843 9.914 -1.195 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.240 11.262 -0.772 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.305 11.053 -2.453 1.00 0.27 H new ATOM 1408 N VAL B 20 4.238 11.438 -4.688 1.00 0.25 N ATOM 1409 CA VAL B 20 5.441 12.136 -5.114 1.00 0.28 C ATOM 1410 C VAL B 20 5.154 13.046 -6.311 1.00 0.33 C ATOM 1411 O VAL B 20 5.828 14.057 -6.501 1.00 0.34 O ATOM 1412 CB VAL B 20 6.598 11.161 -5.442 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.927 10.299 -4.230 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.274 10.285 -6.643 1.00 0.30 C ATOM 0 H VAL B 20 4.196 10.455 -4.958 1.00 0.25 H new ATOM 0 HA VAL B 20 5.761 12.753 -4.274 1.00 0.28 H new ATOM 0 HB VAL B 20 7.471 11.761 -5.698 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.742 9.619 -4.478 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.227 10.938 -3.400 1.00 0.26 H new ATOM 0 HG13 VAL B 20 6.048 9.722 -3.944 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.111 9.615 -6.841 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.380 9.697 -6.434 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.099 10.914 -7.516 1.00 0.30 H new ATOM 1424 N GLU B 21 4.155 12.688 -7.116 1.00 0.39 N ATOM 1425 CA GLU B 21 3.703 13.556 -8.201 1.00 0.49 C ATOM 1426 C GLU B 21 3.106 14.843 -7.641 1.00 0.49 C ATOM 1427 O GLU B 21 3.437 15.940 -8.088 1.00 0.53 O ATOM 1428 CB GLU B 21 2.667 12.849 -9.078 1.00 0.60 C ATOM 1429 CG GLU B 21 3.219 11.664 -9.852 1.00 1.24 C ATOM 1430 CD GLU B 21 4.388 12.031 -10.742 1.00 1.84 C ATOM 1431 OE1 GLU B 21 4.156 12.560 -11.851 1.00 2.49 O ATOM 1432 OE2 GLU B 21 5.544 11.783 -10.340 1.00 2.40 O ATOM 0 H GLU B 21 3.646 11.808 -7.038 1.00 0.39 H new ATOM 0 HA GLU B 21 4.571 13.799 -8.815 1.00 0.49 H new ATOM 0 HB2 GLU B 21 1.845 12.508 -8.449 1.00 0.60 H new ATOM 0 HB3 GLU B 21 2.251 13.569 -9.783 1.00 0.60 H new ATOM 0 HG2 GLU B 21 3.533 10.892 -9.149 1.00 1.24 H new ATOM 0 HG3 GLU B 21 2.425 11.235 -10.463 1.00 1.24 H new ATOM 1439 N LYS B 22 2.230 14.702 -6.653 1.00 0.47 N ATOM 1440 CA LYS B 22 1.597 15.853 -6.014 1.00 0.50 C ATOM 1441 C LYS B 22 2.565 16.554 -5.066 1.00 0.43 C ATOM 1442 O LYS B 22 2.304 17.661 -4.590 1.00 0.44 O ATOM 1443 CB LYS B 22 0.355 15.410 -5.235 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.683 14.695 -6.083 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.818 14.160 -5.226 1.00 0.81 C ATOM 1446 CE LYS B 22 -2.861 13.438 -6.062 1.00 0.72 C ATOM 1447 NZ LYS B 22 -3.476 14.327 -7.083 1.00 1.41 N ATOM 0 H LYS B 22 1.940 13.800 -6.275 1.00 0.47 H new ATOM 0 HA LYS B 22 1.306 16.552 -6.798 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.663 14.751 -4.424 1.00 0.58 H new ATOM 0 HB3 LYS B 22 -0.105 16.285 -4.777 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -1.081 15.381 -6.831 1.00 0.68 H new ATOM 0 HG3 LYS B 22 -0.212 13.873 -6.622 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -1.417 13.478 -4.476 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.288 14.984 -4.689 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -2.399 12.584 -6.557 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -3.640 13.045 -5.408 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -4.313 13.862 -7.489 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -3.759 15.223 -6.638 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -2.786 14.518 -7.837 1.00 1.41 H new ATOM 1461 N LYS B 23 3.689 15.882 -4.814 1.00 0.37 N ATOM 1462 CA LYS B 23 4.723 16.358 -3.901 1.00 0.32 C ATOM 1463 C LYS B 23 4.155 16.670 -2.522 1.00 0.36 C ATOM 1464 O LYS B 23 4.554 17.641 -1.881 1.00 0.41 O ATOM 1465 CB LYS B 23 5.446 17.578 -4.482 1.00 0.36 C ATOM 1466 CG LYS B 23 6.257 17.255 -5.726 1.00 0.42 C ATOM 1467 CD LYS B 23 7.053 18.455 -6.210 1.00 0.57 C ATOM 1468 CE LYS B 23 7.896 18.101 -7.424 1.00 1.21 C ATOM 1469 NZ LYS B 23 8.689 19.259 -7.917 1.00 1.79 N ATOM 0 H LYS B 23 3.907 14.983 -5.244 1.00 0.37 H new ATOM 0 HA LYS B 23 5.449 15.554 -3.782 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.712 18.347 -4.724 1.00 0.36 H new ATOM 0 HB3 LYS B 23 6.107 17.996 -3.723 1.00 0.36 H new ATOM 0 HG2 LYS B 23 6.937 16.430 -5.512 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.588 16.919 -6.519 1.00 0.42 H new ATOM 0 HD2 LYS B 23 6.373 19.269 -6.461 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.698 18.814 -5.408 1.00 0.57 H new ATOM 0 HE2 LYS B 23 8.570 17.283 -7.169 1.00 1.21 H new ATOM 0 HE3 LYS B 23 7.247 17.742 -8.222 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 9.248 18.970 -8.745 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 8.046 20.031 -8.185 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 9.329 19.587 -7.165 1.00 1.79 H new ATOM 1483 N GLU B 24 3.248 15.817 -2.054 1.00 0.38 N ATOM 1484 CA GLU B 24 2.643 15.983 -0.734 1.00 0.46 C ATOM 1485 C GLU B 24 3.580 15.500 0.364 1.00 0.40 C ATOM 1486 O GLU B 24 3.189 15.392 1.523 1.00 0.44 O ATOM 1487 CB GLU B 24 1.327 15.216 -0.632 1.00 0.57 C ATOM 1488 CG GLU B 24 0.160 15.874 -1.341 1.00 0.85 C ATOM 1489 CD GLU B 24 -1.148 15.174 -1.041 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.363 14.786 0.133 1.00 1.84 O ATOM 1491 OE2 GLU B 24 -1.970 15.017 -1.965 1.00 1.66 O ATOM 0 H GLU B 24 2.915 15.002 -2.569 1.00 0.38 H new ATOM 0 HA GLU B 24 2.452 17.048 -0.603 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.470 14.217 -1.044 1.00 0.57 H new ATOM 0 HB3 GLU B 24 1.073 15.093 0.421 1.00 0.57 H new ATOM 0 HG2 GLU B 24 0.092 16.918 -1.036 1.00 0.85 H new ATOM 0 HG3 GLU B 24 0.338 15.867 -2.416 1.00 0.85 H new ATOM 1498 N ILE B 25 4.808 15.193 -0.005 1.00 0.36 N ATOM 1499 CA ILE B 25 5.785 14.705 0.944 1.00 0.33 C ATOM 1500 C ILE B 25 7.141 15.347 0.661 1.00 0.33 C ATOM 1501 O ILE B 25 7.435 15.707 -0.483 1.00 0.34 O ATOM 1502 CB ILE B 25 5.893 13.160 0.875 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.734 12.629 2.041 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.483 12.719 -0.460 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.801 11.120 2.111 1.00 0.28 C ATOM 0 H ILE B 25 5.153 15.274 -0.962 1.00 0.36 H new ATOM 0 HA ILE B 25 5.464 14.976 1.950 1.00 0.33 H new ATOM 0 HB ILE B 25 4.890 12.742 0.956 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.746 13.024 1.956 1.00 0.29 H new ATOM 0 HG13 ILE B 25 6.322 13.008 2.976 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.550 11.631 -0.487 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.843 13.063 -1.272 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.479 13.147 -0.577 1.00 0.26 H new ATOM 0 HD11 ILE B 25 7.414 10.822 2.962 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.795 10.716 2.229 1.00 0.28 H new ATOM 0 HD13 ILE B 25 7.242 10.732 1.193 1.00 0.28 H new ATOM 1517 N SER B 26 7.934 15.534 1.710 1.00 0.35 N ATOM 1518 CA SER B 26 9.283 16.064 1.573 1.00 0.38 C ATOM 1519 C SER B 26 10.102 15.172 0.644 1.00 0.34 C ATOM 1520 O SER B 26 9.911 13.956 0.596 1.00 0.31 O ATOM 1521 CB SER B 26 9.949 16.151 2.947 1.00 0.46 C ATOM 1522 OG SER B 26 11.200 16.813 2.875 1.00 1.47 O ATOM 0 H SER B 26 7.662 15.324 2.670 1.00 0.35 H new ATOM 0 HA SER B 26 9.232 17.064 1.142 1.00 0.38 H new ATOM 0 HB2 SER B 26 9.294 16.682 3.637 1.00 0.46 H new ATOM 0 HB3 SER B 26 10.089 15.148 3.349 1.00 0.46 H new ATOM 0 HG SER B 26 11.919 16.149 2.817 1.00 1.47 H new ATOM 1528 N GLU B 27 11.025 15.799 -0.081 1.00 0.40 N ATOM 1529 CA GLU B 27 11.753 15.146 -1.167 1.00 0.45 C ATOM 1530 C GLU B 27 12.614 13.991 -0.674 1.00 0.40 C ATOM 1531 O GLU B 27 12.871 13.044 -1.417 1.00 0.44 O ATOM 1532 CB GLU B 27 12.620 16.161 -1.908 1.00 0.69 C ATOM 1533 CG GLU B 27 11.825 17.287 -2.547 1.00 0.75 C ATOM 1534 CD GLU B 27 12.701 18.237 -3.332 1.00 1.21 C ATOM 1535 OE1 GLU B 27 13.206 19.211 -2.737 1.00 1.87 O ATOM 1536 OE2 GLU B 27 12.891 18.014 -4.548 1.00 1.70 O ATOM 0 H GLU B 27 11.289 16.773 0.067 1.00 0.40 H new ATOM 0 HA GLU B 27 11.009 14.733 -1.848 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.342 16.587 -1.211 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.189 15.645 -2.681 1.00 0.69 H new ATOM 0 HG2 GLU B 27 11.068 16.864 -3.208 1.00 0.75 H new ATOM 0 HG3 GLU B 27 11.297 17.841 -1.771 1.00 0.75 H new ATOM 1543 N ASP B 28 13.063 14.066 0.572 1.00 0.38 N ATOM 1544 CA ASP B 28 13.821 12.974 1.169 1.00 0.39 C ATOM 1545 C ASP B 28 12.897 11.793 1.435 1.00 0.34 C ATOM 1546 O ASP B 28 13.255 10.639 1.201 1.00 0.38 O ATOM 1547 CB ASP B 28 14.511 13.425 2.460 1.00 0.46 C ATOM 1548 CG ASP B 28 13.547 13.937 3.507 1.00 1.00 C ATOM 1549 OD1 ASP B 28 13.051 15.072 3.361 1.00 1.84 O ATOM 1550 OD2 ASP B 28 13.289 13.216 4.490 1.00 1.64 O ATOM 0 H ASP B 28 12.917 14.867 1.186 1.00 0.38 H new ATOM 0 HA ASP B 28 14.599 12.666 0.470 1.00 0.39 H new ATOM 0 HB2 ASP B 28 15.075 12.589 2.873 1.00 0.46 H new ATOM 0 HB3 ASP B 28 15.230 14.209 2.224 1.00 0.46 H new ATOM 1555 N GLY B 29 11.694 12.097 1.900 1.00 0.30 N ATOM 1556 CA GLY B 29 10.688 11.074 2.091 1.00 0.30 C ATOM 1557 C GLY B 29 10.222 10.504 0.769 1.00 0.26 C ATOM 1558 O GLY B 29 9.989 9.303 0.649 1.00 0.24 O ATOM 0 H GLY B 29 11.396 13.040 2.150 1.00 0.30 H new ATOM 0 HA2 GLY B 29 11.093 10.274 2.711 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.837 11.494 2.628 1.00 0.30 H new ATOM 1562 N ALA B 30 10.084 11.377 -0.226 1.00 0.24 N ATOM 1563 CA ALA B 30 9.722 10.964 -1.576 1.00 0.23 C ATOM 1564 C ALA B 30 10.708 9.940 -2.120 1.00 0.22 C ATOM 1565 O ALA B 30 10.312 8.939 -2.711 1.00 0.21 O ATOM 1566 CB ALA B 30 9.656 12.174 -2.497 1.00 0.24 C ATOM 0 H ALA B 30 10.219 12.382 -0.119 1.00 0.24 H new ATOM 0 HA ALA B 30 8.738 10.496 -1.534 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.385 11.852 -3.502 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.907 12.873 -2.126 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.629 12.665 -2.524 1.00 0.24 H new ATOM 1572 N ASP B 31 11.995 10.194 -1.917 1.00 0.24 N ATOM 1573 CA ASP B 31 13.033 9.263 -2.347 1.00 0.25 C ATOM 1574 C ASP B 31 12.875 7.923 -1.642 1.00 0.24 C ATOM 1575 O ASP B 31 13.040 6.865 -2.249 1.00 0.23 O ATOM 1576 CB ASP B 31 14.421 9.837 -2.072 1.00 0.31 C ATOM 1577 CG ASP B 31 15.527 8.876 -2.461 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.655 8.566 -3.664 1.00 1.47 O ATOM 1579 OD2 ASP B 31 16.277 8.431 -1.564 1.00 1.34 O ATOM 0 H ASP B 31 12.345 11.035 -1.458 1.00 0.24 H new ATOM 0 HA ASP B 31 12.926 9.110 -3.421 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.542 10.770 -2.623 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.509 10.079 -1.013 1.00 0.31 H new ATOM 1584 N SER B 32 12.523 7.977 -0.363 1.00 0.24 N ATOM 1585 CA SER B 32 12.283 6.773 0.414 1.00 0.24 C ATOM 1586 C SER B 32 11.083 6.008 -0.153 1.00 0.20 C ATOM 1587 O SER B 32 11.058 4.779 -0.158 1.00 0.23 O ATOM 1588 CB SER B 32 12.052 7.134 1.884 1.00 0.26 C ATOM 1589 OG SER B 32 12.033 5.982 2.706 1.00 0.92 O ATOM 0 H SER B 32 12.398 8.846 0.157 1.00 0.24 H new ATOM 0 HA SER B 32 13.160 6.129 0.351 1.00 0.24 H new ATOM 0 HB2 SER B 32 12.838 7.810 2.221 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.107 7.669 1.984 1.00 0.26 H new ATOM 0 HG SER B 32 11.118 5.815 3.015 1.00 0.92 H new ATOM 1595 N LEU B 33 10.093 6.745 -0.652 1.00 0.17 N ATOM 1596 CA LEU B 33 8.939 6.130 -1.297 1.00 0.15 C ATOM 1597 C LEU B 33 9.337 5.513 -2.631 1.00 0.14 C ATOM 1598 O LEU B 33 8.835 4.454 -3.009 1.00 0.13 O ATOM 1599 CB LEU B 33 7.822 7.152 -1.516 1.00 0.16 C ATOM 1600 CG LEU B 33 7.205 7.738 -0.245 1.00 0.18 C ATOM 1601 CD1 LEU B 33 6.121 8.745 -0.604 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.641 6.632 0.637 1.00 0.19 C ATOM 0 H LEU B 33 10.068 7.764 -0.622 1.00 0.17 H new ATOM 0 HA LEU B 33 8.569 5.346 -0.636 1.00 0.15 H new ATOM 0 HB2 LEU B 33 8.216 7.971 -2.118 1.00 0.16 H new ATOM 0 HB3 LEU B 33 7.031 6.680 -2.098 1.00 0.16 H new ATOM 0 HG LEU B 33 7.985 8.253 0.315 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.689 9.155 0.309 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.555 9.552 -1.195 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.342 8.250 -1.183 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.207 7.069 1.536 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.871 6.087 0.090 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.441 5.946 0.917 1.00 0.19 H new ATOM 1614 N ASN B 34 10.242 6.179 -3.338 1.00 0.15 N ATOM 1615 CA ASN B 34 10.733 5.683 -4.621 1.00 0.16 C ATOM 1616 C ASN B 34 11.390 4.321 -4.460 1.00 0.16 C ATOM 1617 O ASN B 34 11.079 3.385 -5.199 1.00 0.17 O ATOM 1618 CB ASN B 34 11.717 6.671 -5.258 1.00 0.18 C ATOM 1619 CG ASN B 34 11.026 7.753 -6.068 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.782 7.586 -7.260 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.708 8.870 -5.432 1.00 0.21 N ATOM 0 H ASN B 34 10.652 7.066 -3.045 1.00 0.15 H new ATOM 0 HA ASN B 34 9.874 5.580 -5.284 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.315 7.137 -4.475 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.406 6.125 -5.903 1.00 0.18 H new ATOM 0 HD21 ASN B 34 10.244 9.628 -5.933 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.927 8.973 -4.441 1.00 0.21 H new ATOM 1628 N VAL B 35 12.279 4.198 -3.480 1.00 0.18 N ATOM 1629 CA VAL B 35 12.945 2.927 -3.233 1.00 0.20 C ATOM 1630 C VAL B 35 11.973 1.918 -2.626 1.00 0.18 C ATOM 1631 O VAL B 35 12.084 0.718 -2.873 1.00 0.21 O ATOM 1632 CB VAL B 35 14.192 3.078 -2.327 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.189 4.034 -2.955 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.816 3.550 -0.932 1.00 0.23 C ATOM 0 H VAL B 35 12.552 4.954 -2.851 1.00 0.18 H new ATOM 0 HA VAL B 35 13.289 2.559 -4.200 1.00 0.20 H new ATOM 0 HB VAL B 35 14.653 2.095 -2.232 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.060 4.130 -2.306 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.500 3.649 -3.926 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.724 5.011 -3.084 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.716 3.644 -0.325 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.319 4.518 -0.997 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.143 2.827 -0.472 1.00 0.23 H new ATOM 1644 N ALA B 36 11.009 2.409 -1.845 1.00 0.17 N ATOM 1645 CA ALA B 36 9.969 1.553 -1.286 1.00 0.17 C ATOM 1646 C ALA B 36 9.189 0.869 -2.400 1.00 0.15 C ATOM 1647 O ALA B 36 9.059 -0.354 -2.415 1.00 0.16 O ATOM 1648 CB ALA B 36 9.026 2.356 -0.399 1.00 0.18 C ATOM 0 H ALA B 36 10.930 3.393 -1.588 1.00 0.17 H new ATOM 0 HA ALA B 36 10.449 0.790 -0.674 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.259 1.697 0.007 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.590 2.804 0.419 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.554 3.143 -0.988 1.00 0.18 H new ATOM 1654 N MET B 37 8.685 1.668 -3.341 1.00 0.14 N ATOM 1655 CA MET B 37 7.951 1.151 -4.485 1.00 0.15 C ATOM 1656 C MET B 37 8.784 0.152 -5.273 1.00 0.15 C ATOM 1657 O MET B 37 8.267 -0.857 -5.750 1.00 0.18 O ATOM 1658 CB MET B 37 7.526 2.299 -5.399 1.00 0.16 C ATOM 1659 CG MET B 37 6.465 3.203 -4.797 1.00 0.16 C ATOM 1660 SD MET B 37 5.936 4.507 -5.926 1.00 0.21 S ATOM 1661 CE MET B 37 7.436 5.472 -6.082 1.00 0.19 C ATOM 0 H MET B 37 8.776 2.684 -3.328 1.00 0.14 H new ATOM 0 HA MET B 37 7.067 0.637 -4.108 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.403 2.898 -5.646 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.149 1.885 -6.334 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.601 2.602 -4.512 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.854 3.654 -3.884 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.228 6.379 -6.649 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.801 5.740 -5.090 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.194 4.885 -6.601 1.00 0.19 H new ATOM 1671 N ASP B 38 10.073 0.438 -5.405 1.00 0.18 N ATOM 1672 CA ASP B 38 10.985 -0.449 -6.121 1.00 0.23 C ATOM 1673 C ASP B 38 11.066 -1.803 -5.431 1.00 0.19 C ATOM 1674 O ASP B 38 10.975 -2.845 -6.079 1.00 0.23 O ATOM 1675 CB ASP B 38 12.379 0.169 -6.211 1.00 0.34 C ATOM 1676 CG ASP B 38 13.317 -0.652 -7.073 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.314 -0.447 -8.305 1.00 1.42 O ATOM 1678 OD2 ASP B 38 14.059 -1.498 -6.524 1.00 1.68 O ATOM 0 H ASP B 38 10.512 1.277 -5.026 1.00 0.18 H new ATOM 0 HA ASP B 38 10.596 -0.589 -7.130 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.302 1.177 -6.620 1.00 0.34 H new ATOM 0 HB3 ASP B 38 12.798 0.263 -5.209 1.00 0.34 H new ATOM 1683 N CYS B 39 11.215 -1.777 -4.112 1.00 0.18 N ATOM 1684 CA CYS B 39 11.283 -2.998 -3.318 1.00 0.18 C ATOM 1685 C CYS B 39 9.986 -3.793 -3.443 1.00 0.16 C ATOM 1686 O CYS B 39 10.006 -5.020 -3.555 1.00 0.19 O ATOM 1687 CB CYS B 39 11.551 -2.660 -1.852 1.00 0.21 C ATOM 1688 SG CYS B 39 13.062 -1.705 -1.579 1.00 0.27 S ATOM 0 H CYS B 39 11.291 -0.918 -3.567 1.00 0.18 H new ATOM 0 HA CYS B 39 12.102 -3.609 -3.696 1.00 0.18 H new ATOM 0 HB2 CYS B 39 10.703 -2.099 -1.459 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.612 -3.587 -1.282 1.00 0.21 H new ATOM 0 HG CYS B 39 12.889 -0.488 -2.003 1.00 0.27 H new ATOM 1694 N ILE B 40 8.863 -3.085 -3.438 1.00 0.14 N ATOM 1695 CA ILE B 40 7.557 -3.715 -3.587 1.00 0.14 C ATOM 1696 C ILE B 40 7.435 -4.364 -4.964 1.00 0.16 C ATOM 1697 O ILE B 40 7.035 -5.524 -5.087 1.00 0.16 O ATOM 1698 CB ILE B 40 6.419 -2.685 -3.405 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.506 -2.039 -2.019 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.061 -3.347 -3.596 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.550 -0.882 -1.824 1.00 0.16 C ATOM 0 H ILE B 40 8.831 -2.071 -3.332 1.00 0.14 H new ATOM 0 HA ILE B 40 7.467 -4.478 -2.814 1.00 0.14 H new ATOM 0 HB ILE B 40 6.532 -1.908 -4.161 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.304 -2.797 -1.262 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.525 -1.688 -1.855 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.273 -2.606 -3.464 1.00 0.16 H new ATOM 0 HG22 ILE B 40 4.999 -3.767 -4.600 1.00 0.16 H new ATOM 0 HG23 ILE B 40 4.937 -4.143 -2.861 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.670 -0.476 -0.819 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.765 -0.105 -2.557 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.526 -1.231 -1.955 1.00 0.16 H new ATOM 1713 N SER B 41 7.811 -3.613 -5.991 1.00 0.21 N ATOM 1714 CA SER B 41 7.739 -4.091 -7.364 1.00 0.28 C ATOM 1715 C SER B 41 8.643 -5.304 -7.563 1.00 0.30 C ATOM 1716 O SER B 41 8.262 -6.269 -8.224 1.00 0.34 O ATOM 1717 CB SER B 41 8.128 -2.969 -8.327 1.00 0.37 C ATOM 1718 OG SER B 41 7.330 -1.817 -8.107 1.00 1.13 O ATOM 0 H SER B 41 8.171 -2.663 -5.897 1.00 0.21 H new ATOM 0 HA SER B 41 6.714 -4.397 -7.573 1.00 0.28 H new ATOM 0 HB2 SER B 41 9.181 -2.719 -8.194 1.00 0.37 H new ATOM 0 HB3 SER B 41 8.008 -3.309 -9.356 1.00 0.37 H new ATOM 0 HG SER B 41 7.605 -1.383 -7.272 1.00 1.13 H new ATOM 1724 N GLU B 42 9.832 -5.247 -6.975 1.00 0.32 N ATOM 1725 CA GLU B 42 10.781 -6.351 -7.043 1.00 0.38 C ATOM 1726 C GLU B 42 10.223 -7.592 -6.354 1.00 0.32 C ATOM 1727 O GLU B 42 10.366 -8.708 -6.851 1.00 0.44 O ATOM 1728 CB GLU B 42 12.109 -5.952 -6.394 1.00 0.46 C ATOM 1729 CG GLU B 42 13.181 -7.024 -6.496 1.00 0.60 C ATOM 1730 CD GLU B 42 14.487 -6.612 -5.853 1.00 1.45 C ATOM 1731 OE1 GLU B 42 15.142 -5.678 -6.370 1.00 2.00 O ATOM 1732 OE2 GLU B 42 14.881 -7.233 -4.846 1.00 2.23 O ATOM 0 H GLU B 42 10.163 -4.442 -6.443 1.00 0.32 H new ATOM 0 HA GLU B 42 10.951 -6.584 -8.094 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.474 -5.039 -6.864 1.00 0.46 H new ATOM 0 HB3 GLU B 42 11.936 -5.722 -5.343 1.00 0.46 H new ATOM 0 HG2 GLU B 42 12.821 -7.937 -6.023 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.356 -7.257 -7.546 1.00 0.60 H new ATOM 1739 N ALA B 43 9.571 -7.382 -5.219 1.00 0.19 N ATOM 1740 CA ALA B 43 9.065 -8.477 -4.402 1.00 0.17 C ATOM 1741 C ALA B 43 8.010 -9.298 -5.135 1.00 0.17 C ATOM 1742 O ALA B 43 7.987 -10.524 -5.027 1.00 0.25 O ATOM 1743 CB ALA B 43 8.499 -7.938 -3.099 1.00 0.20 C ATOM 0 H ALA B 43 9.379 -6.455 -4.840 1.00 0.19 H new ATOM 0 HA ALA B 43 9.903 -9.140 -4.187 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.124 -8.765 -2.496 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.283 -7.415 -2.551 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.684 -7.247 -3.315 1.00 0.20 H new ATOM 1749 N PHE B 44 7.138 -8.632 -5.879 1.00 0.19 N ATOM 1750 CA PHE B 44 6.050 -9.332 -6.557 1.00 0.25 C ATOM 1751 C PHE B 44 6.313 -9.474 -8.053 1.00 0.30 C ATOM 1752 O PHE B 44 5.532 -10.094 -8.778 1.00 0.35 O ATOM 1753 CB PHE B 44 4.718 -8.623 -6.307 1.00 0.27 C ATOM 1754 CG PHE B 44 4.345 -8.572 -4.853 1.00 0.26 C ATOM 1755 CD1 PHE B 44 3.946 -9.718 -4.187 1.00 1.15 C ATOM 1756 CD2 PHE B 44 4.407 -7.380 -4.149 1.00 1.10 C ATOM 1757 CE1 PHE B 44 3.612 -9.678 -2.849 1.00 1.15 C ATOM 1758 CE2 PHE B 44 4.075 -7.334 -2.809 1.00 1.12 C ATOM 1759 CZ PHE B 44 3.676 -8.485 -2.158 1.00 0.31 C ATOM 0 H PHE B 44 7.159 -7.623 -6.029 1.00 0.19 H new ATOM 0 HA PHE B 44 5.995 -10.337 -6.139 1.00 0.25 H new ATOM 0 HB2 PHE B 44 4.774 -7.607 -6.698 1.00 0.27 H new ATOM 0 HB3 PHE B 44 3.931 -9.134 -6.861 1.00 0.27 H new ATOM 0 HD1 PHE B 44 3.896 -10.655 -4.721 1.00 1.15 H new ATOM 0 HD2 PHE B 44 4.718 -6.477 -4.653 1.00 1.10 H new ATOM 0 HE1 PHE B 44 3.301 -10.580 -2.343 1.00 1.15 H new ATOM 0 HE2 PHE B 44 4.127 -6.399 -2.271 1.00 1.12 H new ATOM 0 HZ PHE B 44 3.415 -8.452 -1.111 1.00 0.31 H new ATOM 1769 N GLY B 45 7.418 -8.891 -8.505 1.00 0.29 N ATOM 1770 CA GLY B 45 7.852 -9.053 -9.881 1.00 0.35 C ATOM 1771 C GLY B 45 6.958 -8.347 -10.879 1.00 0.37 C ATOM 1772 O GLY B 45 6.592 -8.921 -11.904 1.00 0.43 O ATOM 0 H GLY B 45 8.027 -8.303 -7.936 1.00 0.29 H new ATOM 0 HA2 GLY B 45 8.868 -8.672 -9.981 1.00 0.35 H new ATOM 0 HA3 GLY B 45 7.885 -10.116 -10.121 1.00 0.35 H new ATOM 1776 N PHE B 46 6.610 -7.100 -10.595 1.00 0.36 N ATOM 1777 CA PHE B 46 5.747 -6.339 -11.486 1.00 0.39 C ATOM 1778 C PHE B 46 6.312 -4.940 -11.705 1.00 0.39 C ATOM 1779 O PHE B 46 7.205 -4.503 -10.981 1.00 0.40 O ATOM 1780 CB PHE B 46 4.315 -6.265 -10.928 1.00 0.36 C ATOM 1781 CG PHE B 46 4.156 -5.393 -9.712 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.629 -5.803 -8.477 1.00 1.17 C ATOM 1783 CD2 PHE B 46 3.523 -4.164 -9.805 1.00 1.27 C ATOM 1784 CE1 PHE B 46 4.477 -5.003 -7.361 1.00 1.17 C ATOM 1785 CE2 PHE B 46 3.367 -3.361 -8.693 1.00 1.26 C ATOM 1786 CZ PHE B 46 3.845 -3.781 -7.469 1.00 0.21 C ATOM 0 H PHE B 46 6.910 -6.597 -9.760 1.00 0.36 H new ATOM 0 HA PHE B 46 5.709 -6.851 -12.447 1.00 0.39 H new ATOM 0 HB2 PHE B 46 3.653 -5.896 -11.712 1.00 0.36 H new ATOM 0 HB3 PHE B 46 3.984 -7.274 -10.680 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.122 -6.759 -8.385 1.00 1.17 H new ATOM 0 HD2 PHE B 46 3.147 -3.830 -10.760 1.00 1.27 H new ATOM 0 HE1 PHE B 46 4.853 -5.334 -6.404 1.00 1.17 H new ATOM 0 HE2 PHE B 46 2.871 -2.405 -8.781 1.00 1.26 H new ATOM 0 HZ PHE B 46 3.725 -3.155 -6.597 1.00 0.21 H new ATOM 1796 N GLU B 47 5.801 -4.255 -12.717 1.00 0.41 N ATOM 1797 CA GLU B 47 6.241 -2.906 -13.045 1.00 0.44 C ATOM 1798 C GLU B 47 5.304 -1.889 -12.418 1.00 0.40 C ATOM 1799 O GLU B 47 4.125 -2.171 -12.207 1.00 0.39 O ATOM 1800 CB GLU B 47 6.258 -2.717 -14.559 1.00 0.53 C ATOM 1801 CG GLU B 47 7.194 -3.662 -15.282 1.00 0.59 C ATOM 1802 CD GLU B 47 7.045 -3.577 -16.782 1.00 1.14 C ATOM 1803 OE1 GLU B 47 7.711 -2.722 -17.404 1.00 1.92 O ATOM 1804 OE2 GLU B 47 6.263 -4.367 -17.350 1.00 1.55 O ATOM 0 H GLU B 47 5.072 -4.616 -13.332 1.00 0.41 H new ATOM 0 HA GLU B 47 7.247 -2.759 -12.653 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.248 -2.855 -14.944 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.547 -1.691 -14.784 1.00 0.53 H new ATOM 0 HG2 GLU B 47 8.223 -3.432 -15.007 1.00 0.59 H new ATOM 0 HG3 GLU B 47 6.998 -4.684 -14.957 1.00 0.59 H new ATOM 1811 N ARG B 48 5.813 -0.689 -12.164 1.00 0.41 N ATOM 1812 CA ARG B 48 5.035 0.335 -11.482 1.00 0.40 C ATOM 1813 C ARG B 48 4.113 1.013 -12.484 1.00 0.41 C ATOM 1814 O ARG B 48 3.100 1.602 -12.124 1.00 0.43 O ATOM 1815 CB ARG B 48 5.951 1.378 -10.837 1.00 0.44 C ATOM 1816 CG ARG B 48 7.080 0.781 -10.013 1.00 0.61 C ATOM 1817 CD ARG B 48 7.888 1.859 -9.306 1.00 0.91 C ATOM 1818 NE ARG B 48 8.360 2.896 -10.226 1.00 1.19 N ATOM 1819 CZ ARG B 48 9.501 3.573 -10.076 1.00 1.88 C ATOM 1820 NH1 ARG B 48 10.361 3.240 -9.121 1.00 2.57 N ATOM 1821 NH2 ARG B 48 9.798 4.559 -10.909 1.00 2.20 N ATOM 0 H ARG B 48 6.758 -0.403 -12.420 1.00 0.41 H new ATOM 0 HA ARG B 48 4.448 -0.138 -10.695 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.378 2.006 -11.619 1.00 0.44 H new ATOM 0 HB3 ARG B 48 5.352 2.028 -10.198 1.00 0.44 H new ATOM 0 HG2 ARG B 48 6.668 0.092 -9.276 1.00 0.61 H new ATOM 0 HG3 ARG B 48 7.736 0.200 -10.661 1.00 0.61 H new ATOM 0 HD2 ARG B 48 7.276 2.317 -8.529 1.00 0.91 H new ATOM 0 HD3 ARG B 48 8.743 1.401 -8.809 1.00 0.91 H new ATOM 0 HE ARG B 48 7.779 3.116 -11.035 1.00 1.19 H new ATOM 0 HH11 ARG B 48 10.152 2.462 -8.495 1.00 2.57 H new ATOM 0 HH12 ARG B 48 11.231 3.762 -9.013 1.00 2.57 H new ATOM 0 HH21 ARG B 48 9.155 4.800 -11.664 1.00 2.20 H new ATOM 0 HH22 ARG B 48 10.669 5.077 -10.796 1.00 2.20 H new ATOM 1835 N GLU B 49 4.494 0.928 -13.752 1.00 0.42 N ATOM 1836 CA GLU B 49 3.722 1.521 -14.838 1.00 0.46 C ATOM 1837 C GLU B 49 2.628 0.565 -15.307 1.00 0.43 C ATOM 1838 O GLU B 49 1.726 0.948 -16.050 1.00 0.46 O ATOM 1839 CB GLU B 49 4.650 1.873 -16.005 1.00 0.57 C ATOM 1840 CG GLU B 49 5.413 0.676 -16.554 1.00 1.14 C ATOM 1841 CD GLU B 49 6.373 1.048 -17.664 1.00 1.54 C ATOM 1842 OE1 GLU B 49 7.525 1.412 -17.360 1.00 2.04 O ATOM 1843 OE2 GLU B 49 5.986 0.960 -18.848 1.00 2.24 O ATOM 0 H GLU B 49 5.342 0.449 -14.056 1.00 0.42 H new ATOM 0 HA GLU B 49 3.248 2.431 -14.470 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.060 2.317 -16.807 1.00 0.57 H new ATOM 0 HB3 GLU B 49 5.363 2.629 -15.677 1.00 0.57 H new ATOM 0 HG2 GLU B 49 5.968 0.203 -15.744 1.00 1.14 H new ATOM 0 HG3 GLU B 49 4.702 -0.061 -16.927 1.00 1.14 H new ATOM 1850 N ALA B 50 2.710 -0.681 -14.855 1.00 0.41 N ATOM 1851 CA ALA B 50 1.762 -1.708 -15.265 1.00 0.42 C ATOM 1852 C ALA B 50 0.574 -1.765 -14.312 1.00 0.37 C ATOM 1853 O ALA B 50 -0.293 -2.630 -14.439 1.00 0.41 O ATOM 1854 CB ALA B 50 2.451 -3.060 -15.338 1.00 0.48 C ATOM 0 H ALA B 50 3.425 -1.004 -14.203 1.00 0.41 H new ATOM 0 HA ALA B 50 1.387 -1.452 -16.256 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.732 -3.819 -15.646 1.00 0.48 H new ATOM 0 HB2 ALA B 50 3.264 -3.016 -16.063 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.853 -3.317 -14.358 1.00 0.48 H new ATOM 1860 N VAL B 51 0.560 -0.847 -13.349 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.531 -0.749 -12.382 1.00 0.31 C ATOM 1862 C VAL B 51 -1.898 -0.741 -13.059 1.00 0.36 C ATOM 1863 O VAL B 51 -2.792 -1.462 -12.639 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.398 0.499 -11.479 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.723 0.305 -10.472 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.162 1.758 -12.305 1.00 0.33 C ATOM 0 H VAL B 51 1.298 -0.155 -13.217 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.455 -1.640 -11.759 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.337 0.626 -10.940 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.805 1.192 -9.843 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.506 -0.563 -9.849 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.663 0.147 -11.000 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.073 2.618 -11.641 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.757 1.648 -12.881 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.001 1.910 -12.984 1.00 0.33 H new ATOM 1876 N SER B 52 -2.043 0.042 -14.120 1.00 0.37 N ATOM 1877 CA SER B 52 -3.312 0.153 -14.833 1.00 0.45 C ATOM 1878 C SER B 52 -3.807 -1.220 -15.296 1.00 0.47 C ATOM 1879 O SER B 52 -4.968 -1.580 -15.087 1.00 0.50 O ATOM 1880 CB SER B 52 -3.135 1.091 -16.024 1.00 0.53 C ATOM 1881 OG SER B 52 -1.917 0.817 -16.697 1.00 1.25 O ATOM 0 H SER B 52 -1.293 0.614 -14.509 1.00 0.37 H new ATOM 0 HA SER B 52 -4.064 0.560 -14.158 1.00 0.45 H new ATOM 0 HB2 SER B 52 -3.972 0.975 -16.713 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.144 2.126 -15.683 1.00 0.53 H new ATOM 0 HG SER B 52 -1.820 1.426 -17.459 1.00 1.25 H new ATOM 1887 N GLY B 53 -2.914 -1.968 -15.933 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.215 -3.329 -16.350 1.00 0.57 C ATOM 1889 C GLY B 53 -3.774 -4.186 -15.226 1.00 0.54 C ATOM 1890 O GLY B 53 -4.766 -4.894 -15.410 1.00 0.59 O ATOM 0 H GLY B 53 -1.974 -1.653 -16.172 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -3.933 -3.301 -17.170 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.308 -3.793 -16.737 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.154 -4.102 -14.057 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.563 -4.906 -12.911 1.00 0.51 C ATOM 1896 C ILE B 54 -4.829 -4.333 -12.269 1.00 0.50 C ATOM 1897 O ILE B 54 -5.742 -5.068 -11.895 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.439 -4.973 -11.852 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -1.131 -5.445 -12.497 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.835 -5.903 -10.712 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.062 -5.397 -11.566 1.00 0.48 C ATOM 0 H ILE B 54 -2.363 -3.484 -13.876 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.769 -5.913 -13.275 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.286 -3.974 -11.444 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.261 -6.467 -12.854 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -0.924 -4.827 -13.370 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -2.032 -5.938 -9.976 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.745 -5.533 -10.240 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -3.012 -6.905 -11.104 1.00 0.55 H new ATOM 0 HD11 ILE B 54 0.950 -5.746 -12.094 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.219 -4.372 -11.229 1.00 0.48 H new ATOM 0 HD13 ILE B 54 -0.123 -6.038 -10.704 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.883 -3.013 -12.178 1.00 0.46 N ATOM 1914 CA LEU B 55 -5.992 -2.315 -11.534 1.00 0.48 C ATOM 1915 C LEU B 55 -7.285 -2.443 -12.328 1.00 0.55 C ATOM 1916 O LEU B 55 -8.373 -2.222 -11.790 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.655 -0.836 -11.326 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.439 -0.561 -10.439 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.276 0.931 -10.204 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.559 -1.306 -9.121 1.00 0.45 C ATOM 0 H LEU B 55 -4.162 -2.394 -12.547 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.145 -2.789 -10.564 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.484 -0.379 -12.301 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.522 -0.341 -10.889 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.549 -0.923 -10.953 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.406 1.107 -9.571 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.138 1.437 -11.160 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.167 1.321 -9.712 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.685 -1.098 -8.504 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.458 -0.979 -8.599 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.621 -2.377 -9.313 1.00 0.45 H new