USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=20 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 Set 1.1: B 18 SER OG : rot 180:sc= -0.899 USER MOD Set 1.2: B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.824 USER MOD Set 2.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -0.0259 (180deg=-0.287) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 15 TYR OH : rot 90:sc= -0.306 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -103:sc= 1.29 USER MOD Single : A 34 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0065) USER MOD Single : A 37 MET CE :methyl -165:sc= -1.3 (180deg=-1.71) USER MOD Single : A 39 CYS SG : rot 72:sc= 0.407 USER MOD Single : A 41 SER OG : rot 77:sc= 1.18 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0299 USER MOD Single : B 5 LYS NZ :NH3+ -164:sc= -0.0254 (180deg=-0.288) USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 15 TYR OH : rot 90:sc= -0.295 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot -102:sc= 1.26 USER MOD Single : B 34 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0081) USER MOD Single : B 37 MET CE :methyl -171:sc= -1.33 (180deg=-1.69) USER MOD Single : B 39 CYS SG : rot 72:sc= 0.514 USER MOD Single : B 41 SER OG : rot 73:sc= 1.18 USER MOD Single : B 52 SER OG : rot 180:sc= 0.0503 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.610 10.160 3.822 1.00 0.41 N ATOM 75 CA LYS A 5 -1.664 9.169 3.328 1.00 0.36 C ATOM 76 C LYS A 5 -1.143 8.302 4.464 1.00 0.27 C ATOM 77 O LYS A 5 -0.645 7.202 4.235 1.00 0.25 O ATOM 78 CB LYS A 5 -0.514 9.851 2.571 1.00 0.42 C ATOM 79 CG LYS A 5 0.126 11.012 3.313 1.00 0.41 C ATOM 80 CD LYS A 5 0.984 11.854 2.385 1.00 0.53 C ATOM 81 CE LYS A 5 1.536 13.079 3.095 1.00 0.73 C ATOM 82 NZ LYS A 5 0.455 14.001 3.534 1.00 1.14 N ATOM 0 HA LYS A 5 -2.185 8.515 2.628 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.253 9.108 2.354 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -0.889 10.211 1.613 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.650 11.634 3.758 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.737 10.631 4.131 1.00 0.41 H new ATOM 0 HD2 LYS A 5 1.808 11.251 2.003 1.00 0.53 H new ATOM 0 HD3 LYS A 5 0.392 12.167 1.525 1.00 0.53 H new ATOM 0 HE2 LYS A 5 2.119 12.765 3.961 1.00 0.73 H new ATOM 0 HE3 LYS A 5 2.216 13.609 2.428 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 0.860 14.935 3.746 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -0.251 14.094 2.776 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 -0.001 13.620 4.387 1.00 1.14 H new ATOM 96 N GLU A 6 -1.278 8.802 5.686 1.00 0.30 N ATOM 97 CA GLU A 6 -0.948 8.033 6.878 1.00 0.36 C ATOM 98 C GLU A 6 -1.869 6.819 7.004 1.00 0.38 C ATOM 99 O GLU A 6 -1.421 5.723 7.342 1.00 0.41 O ATOM 100 CB GLU A 6 -1.072 8.921 8.119 1.00 0.49 C ATOM 101 CG GLU A 6 -0.728 8.218 9.419 1.00 0.99 C ATOM 102 CD GLU A 6 -0.860 9.128 10.619 1.00 1.46 C ATOM 103 OE1 GLU A 6 0.009 10.005 10.802 1.00 2.00 O ATOM 104 OE2 GLU A 6 -1.838 8.979 11.386 1.00 2.11 O ATOM 0 H GLU A 6 -1.617 9.745 5.878 1.00 0.30 H new ATOM 0 HA GLU A 6 0.079 7.678 6.794 1.00 0.36 H new ATOM 0 HB2 GLU A 6 -0.418 9.785 8.001 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -2.092 9.299 8.182 1.00 0.49 H new ATOM 0 HG2 GLU A 6 -1.382 7.356 9.547 1.00 0.99 H new ATOM 0 HG3 GLU A 6 0.292 7.839 9.365 1.00 0.99 H new ATOM 111 N GLU A 7 -3.152 7.022 6.709 1.00 0.41 N ATOM 112 CA GLU A 7 -4.143 5.953 6.793 1.00 0.48 C ATOM 113 C GLU A 7 -3.784 4.826 5.836 1.00 0.40 C ATOM 114 O GLU A 7 -3.802 3.648 6.201 1.00 0.40 O ATOM 115 CB GLU A 7 -5.536 6.484 6.449 1.00 0.61 C ATOM 116 CG GLU A 7 -5.995 7.641 7.316 1.00 0.75 C ATOM 117 CD GLU A 7 -7.291 8.258 6.818 1.00 0.95 C ATOM 118 OE1 GLU A 7 -7.254 8.999 5.815 1.00 1.25 O ATOM 119 OE2 GLU A 7 -8.348 8.016 7.433 1.00 1.68 O ATOM 0 H GLU A 7 -3.530 7.921 6.409 1.00 0.41 H new ATOM 0 HA GLU A 7 -4.148 5.574 7.815 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.544 6.801 5.406 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -6.255 5.670 6.540 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -6.131 7.293 8.340 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -5.218 8.405 7.340 1.00 0.75 H new ATOM 126 N ILE A 8 -3.446 5.201 4.610 1.00 0.37 N ATOM 127 CA ILE A 8 -3.100 4.231 3.587 1.00 0.36 C ATOM 128 C ILE A 8 -1.760 3.575 3.897 1.00 0.27 C ATOM 129 O ILE A 8 -1.645 2.356 3.832 1.00 0.25 O ATOM 130 CB ILE A 8 -3.073 4.867 2.179 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.456 5.427 1.839 1.00 0.54 C ATOM 132 CG2 ILE A 8 -2.639 3.844 1.135 1.00 0.42 C ATOM 133 CD1 ILE A 8 -4.569 5.992 0.441 1.00 0.96 C ATOM 0 H ILE A 8 -3.405 6.172 4.302 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.876 3.466 3.591 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.349 5.682 2.174 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.196 4.636 1.960 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.705 6.209 2.556 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -2.627 4.312 0.151 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -1.641 3.479 1.376 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.339 3.009 1.131 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -5.580 6.368 0.281 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -3.855 6.807 0.319 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -4.354 5.209 -0.286 1.00 0.96 H new ATOM 145 N ALA A 9 -0.759 4.381 4.251 1.00 0.25 N ATOM 146 CA ALA A 9 0.559 3.862 4.621 1.00 0.20 C ATOM 147 C ALA A 9 0.453 2.812 5.720 1.00 0.19 C ATOM 148 O ALA A 9 1.153 1.798 5.689 1.00 0.16 O ATOM 149 CB ALA A 9 1.472 4.995 5.059 1.00 0.21 C ATOM 0 H ALA A 9 -0.835 5.397 4.290 1.00 0.25 H new ATOM 0 HA ALA A 9 0.988 3.384 3.741 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.448 4.592 5.331 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.588 5.706 4.241 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.036 5.501 5.920 1.00 0.21 H new ATOM 155 N ALA A 10 -0.429 3.058 6.684 1.00 0.24 N ATOM 156 CA ALA A 10 -0.683 2.103 7.754 1.00 0.25 C ATOM 157 C ALA A 10 -1.162 0.774 7.181 1.00 0.24 C ATOM 158 O ALA A 10 -0.631 -0.282 7.515 1.00 0.22 O ATOM 159 CB ALA A 10 -1.705 2.661 8.731 1.00 0.33 C ATOM 0 H ALA A 10 -0.981 3.914 6.745 1.00 0.24 H new ATOM 0 HA ALA A 10 0.250 1.930 8.291 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.884 1.935 9.524 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -1.326 3.587 9.164 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.639 2.862 8.206 1.00 0.33 H new ATOM 165 N LEU A 11 -2.158 0.837 6.303 1.00 0.27 N ATOM 166 CA LEU A 11 -2.669 -0.355 5.634 1.00 0.30 C ATOM 167 C LEU A 11 -1.560 -1.044 4.843 1.00 0.26 C ATOM 168 O LEU A 11 -1.456 -2.269 4.834 1.00 0.29 O ATOM 169 CB LEU A 11 -3.812 0.013 4.679 1.00 0.38 C ATOM 170 CG LEU A 11 -5.120 0.452 5.338 1.00 0.75 C ATOM 171 CD1 LEU A 11 -6.019 1.142 4.324 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.839 -0.747 5.942 1.00 0.63 C ATOM 0 H LEU A 11 -2.628 1.702 6.038 1.00 0.27 H new ATOM 0 HA LEU A 11 -3.042 -1.035 6.400 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -3.470 0.816 4.026 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -4.019 -0.848 4.043 1.00 0.38 H new ATOM 0 HG LEU A 11 -4.884 1.157 6.135 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -6.946 1.448 4.809 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -5.511 2.020 3.925 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -6.246 0.453 3.510 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.768 -0.418 6.407 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -6.062 -1.470 5.158 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.202 -1.212 6.694 1.00 0.63 H new ATOM 184 N ILE A 12 -0.740 -0.237 4.187 1.00 0.21 N ATOM 185 CA ILE A 12 0.336 -0.731 3.340 1.00 0.20 C ATOM 186 C ILE A 12 1.340 -1.571 4.127 1.00 0.18 C ATOM 187 O ILE A 12 1.573 -2.737 3.801 1.00 0.20 O ATOM 188 CB ILE A 12 1.062 0.443 2.647 1.00 0.19 C ATOM 189 CG1 ILE A 12 0.103 1.146 1.682 1.00 0.22 C ATOM 190 CG2 ILE A 12 2.305 -0.041 1.918 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.690 2.361 1.002 1.00 0.25 C ATOM 0 H ILE A 12 -0.802 0.780 4.227 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.117 -1.372 2.584 1.00 0.20 H new ATOM 0 HB ILE A 12 1.382 1.155 3.407 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.214 0.434 0.920 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -0.791 1.446 2.229 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.798 0.805 1.438 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.988 -0.503 2.631 1.00 0.20 H new ATOM 0 HG23 ILE A 12 2.021 -0.772 1.161 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.053 2.800 0.336 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.981 3.094 1.754 1.00 0.25 H new ATOM 0 HD13 ILE A 12 1.566 2.067 0.424 1.00 0.25 H new ATOM 203 N VAL A 13 1.922 -0.988 5.168 1.00 0.16 N ATOM 204 CA VAL A 13 2.921 -1.695 5.960 1.00 0.16 C ATOM 205 C VAL A 13 2.290 -2.870 6.706 1.00 0.16 C ATOM 206 O VAL A 13 2.908 -3.924 6.856 1.00 0.18 O ATOM 207 CB VAL A 13 3.646 -0.756 6.956 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.443 0.302 6.206 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.666 -0.097 7.915 1.00 0.14 C ATOM 0 H VAL A 13 1.723 -0.038 5.481 1.00 0.16 H new ATOM 0 HA VAL A 13 3.668 -2.077 5.264 1.00 0.16 H new ATOM 0 HB VAL A 13 4.332 -1.365 7.545 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.946 0.953 6.921 1.00 0.16 H new ATOM 0 HG12 VAL A 13 5.185 -0.183 5.572 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.769 0.895 5.587 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.209 0.555 8.599 1.00 0.14 H new ATOM 0 HG22 VAL A 13 1.944 0.492 7.350 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.142 -0.865 8.484 1.00 0.14 H new ATOM 219 N ASN A 14 1.054 -2.684 7.153 1.00 0.18 N ATOM 220 CA ASN A 14 0.303 -3.748 7.816 1.00 0.21 C ATOM 221 C ASN A 14 0.157 -4.956 6.895 1.00 0.19 C ATOM 222 O ASN A 14 0.329 -6.100 7.318 1.00 0.20 O ATOM 223 CB ASN A 14 -1.085 -3.257 8.232 1.00 0.30 C ATOM 224 CG ASN A 14 -1.850 -4.289 9.038 1.00 0.42 C ATOM 225 OD1 ASN A 14 -1.274 -5.027 9.838 1.00 0.45 O ATOM 226 ND2 ASN A 14 -3.154 -4.360 8.822 1.00 0.57 N ATOM 0 H ASN A 14 0.547 -1.803 7.069 1.00 0.18 H new ATOM 0 HA ASN A 14 0.858 -4.040 8.707 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.983 -2.345 8.820 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.658 -3.000 7.341 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.718 -5.044 9.327 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.595 -3.731 8.151 1.00 0.57 H new ATOM 233 N TYR A 15 -0.129 -4.689 5.625 1.00 0.22 N ATOM 234 CA TYR A 15 -0.368 -5.753 4.664 1.00 0.24 C ATOM 235 C TYR A 15 0.893 -6.570 4.429 1.00 0.22 C ATOM 236 O TYR A 15 0.858 -7.798 4.475 1.00 0.23 O ATOM 237 CB TYR A 15 -0.886 -5.204 3.334 1.00 0.30 C ATOM 238 CG TYR A 15 -1.347 -6.297 2.395 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.383 -7.148 2.760 1.00 1.19 C ATOM 240 CD2 TYR A 15 -0.747 -6.487 1.157 1.00 1.30 C ATOM 241 CE1 TYR A 15 -2.809 -8.156 1.920 1.00 1.21 C ATOM 242 CE2 TYR A 15 -1.170 -7.493 0.309 1.00 1.40 C ATOM 243 CZ TYR A 15 -2.201 -8.325 0.698 1.00 0.65 C ATOM 244 OH TYR A 15 -2.626 -9.328 -0.140 1.00 0.80 O ATOM 0 H TYR A 15 -0.200 -3.747 5.241 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.134 -6.401 5.089 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -1.713 -4.521 3.525 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.098 -4.624 2.853 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -2.863 -7.018 3.719 1.00 1.19 H new ATOM 0 HD2 TYR A 15 0.062 -5.839 0.853 1.00 1.30 H new ATOM 0 HE1 TYR A 15 -3.615 -8.809 2.220 1.00 1.21 H new ATOM 0 HE2 TYR A 15 -0.697 -7.628 -0.652 1.00 1.40 H new ATOM 0 HH TYR A 15 -3.338 -8.988 -0.722 1.00 0.80 H new ATOM 254 N PHE A 16 2.008 -5.890 4.191 1.00 0.20 N ATOM 255 CA PHE A 16 3.271 -6.580 3.967 1.00 0.21 C ATOM 256 C PHE A 16 3.677 -7.360 5.208 1.00 0.20 C ATOM 257 O PHE A 16 4.174 -8.482 5.109 1.00 0.20 O ATOM 258 CB PHE A 16 4.382 -5.602 3.578 1.00 0.20 C ATOM 259 CG PHE A 16 4.156 -4.892 2.269 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.742 -5.590 1.141 1.00 0.91 C ATOM 261 CD2 PHE A 16 4.372 -3.527 2.161 1.00 1.04 C ATOM 262 CE1 PHE A 16 3.549 -4.939 -0.060 1.00 0.91 C ATOM 263 CE2 PHE A 16 4.179 -2.874 0.960 1.00 1.05 C ATOM 264 CZ PHE A 16 3.767 -3.582 -0.151 1.00 0.23 C ATOM 0 H PHE A 16 2.063 -4.872 4.148 1.00 0.20 H new ATOM 0 HA PHE A 16 3.126 -7.274 3.139 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.487 -4.858 4.368 1.00 0.20 H new ATOM 0 HB3 PHE A 16 5.325 -6.145 3.524 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.569 -6.654 1.205 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.695 -2.968 3.027 1.00 1.04 H new ATOM 0 HE1 PHE A 16 3.227 -5.494 -0.929 1.00 0.91 H new ATOM 0 HE2 PHE A 16 4.350 -1.810 0.890 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.616 -3.072 -1.091 1.00 0.23 H new ATOM 274 N SER A 17 3.436 -6.772 6.373 1.00 0.19 N ATOM 275 CA SER A 17 3.743 -7.422 7.636 1.00 0.20 C ATOM 276 C SER A 17 2.915 -8.699 7.783 1.00 0.21 C ATOM 277 O SER A 17 3.389 -9.704 8.313 1.00 0.24 O ATOM 278 CB SER A 17 3.475 -6.464 8.802 1.00 0.21 C ATOM 279 OG SER A 17 4.011 -6.962 10.017 1.00 0.90 O ATOM 0 H SER A 17 3.027 -5.842 6.467 1.00 0.19 H new ATOM 0 HA SER A 17 4.799 -7.692 7.650 1.00 0.20 H new ATOM 0 HB2 SER A 17 3.912 -5.490 8.582 1.00 0.21 H new ATOM 0 HB3 SER A 17 2.401 -6.314 8.911 1.00 0.21 H new ATOM 0 HG SER A 17 3.825 -6.328 10.741 1.00 0.90 H new ATOM 285 N SER A 18 1.683 -8.660 7.287 1.00 0.24 N ATOM 286 CA SER A 18 0.806 -9.819 7.319 1.00 0.25 C ATOM 287 C SER A 18 1.264 -10.865 6.301 1.00 0.25 C ATOM 288 O SER A 18 1.317 -12.059 6.602 1.00 0.29 O ATOM 289 CB SER A 18 -0.640 -9.392 7.034 1.00 0.26 C ATOM 290 OG SER A 18 -1.545 -10.473 7.200 1.00 0.84 O ATOM 0 H SER A 18 1.270 -7.833 6.857 1.00 0.24 H new ATOM 0 HA SER A 18 0.851 -10.265 8.313 1.00 0.25 H new ATOM 0 HB2 SER A 18 -0.918 -8.577 7.703 1.00 0.26 H new ATOM 0 HB3 SER A 18 -0.713 -9.008 6.016 1.00 0.26 H new ATOM 0 HG SER A 18 -2.457 -10.168 7.013 1.00 0.84 H new ATOM 296 N ILE A 19 1.613 -10.406 5.102 1.00 0.23 N ATOM 297 CA ILE A 19 2.049 -11.296 4.029 1.00 0.24 C ATOM 298 C ILE A 19 3.308 -12.063 4.419 1.00 0.25 C ATOM 299 O ILE A 19 3.393 -13.273 4.210 1.00 0.28 O ATOM 300 CB ILE A 19 2.302 -10.521 2.713 1.00 0.24 C ATOM 301 CG1 ILE A 19 0.991 -9.932 2.180 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.946 -11.419 1.661 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.068 -10.971 1.872 1.00 0.28 C ATOM 0 H ILE A 19 1.602 -9.418 4.848 1.00 0.23 H new ATOM 0 HA ILE A 19 1.240 -12.007 3.865 1.00 0.24 H new ATOM 0 HB ILE A 19 2.992 -9.706 2.929 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.595 -9.230 2.914 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.201 -9.362 1.275 1.00 0.25 H new ATOM 0 HG21 ILE A 19 3.112 -10.848 0.747 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.900 -11.791 2.035 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.287 -12.261 1.448 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -0.965 -10.477 1.500 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.307 -11.660 1.115 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.309 -11.525 2.779 1.00 0.28 H new ATOM 315 N VAL A 20 4.278 -11.364 4.998 1.00 0.25 N ATOM 316 CA VAL A 20 5.524 -12.000 5.399 1.00 0.28 C ATOM 317 C VAL A 20 5.315 -12.891 6.625 1.00 0.33 C ATOM 318 O VAL A 20 5.956 -13.933 6.754 1.00 0.34 O ATOM 319 CB VAL A 20 6.642 -10.966 5.674 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.930 -10.149 4.422 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.285 -10.050 6.836 1.00 0.30 C ATOM 0 H VAL A 20 4.225 -10.365 5.198 1.00 0.25 H new ATOM 0 HA VAL A 20 5.845 -12.621 4.563 1.00 0.28 H new ATOM 0 HB VAL A 20 7.541 -11.517 5.951 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.719 -9.427 4.632 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.251 -10.813 3.620 1.00 0.26 H new ATOM 0 HG13 VAL A 20 6.027 -9.621 4.116 1.00 0.26 H new ATOM 0 HG21 VAL A 20 7.094 -9.338 6.999 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.367 -9.510 6.605 1.00 0.30 H new ATOM 0 HG23 VAL A 20 6.139 -10.646 7.737 1.00 0.30 H new ATOM 331 N GLU A 21 4.408 -12.483 7.512 1.00 0.39 N ATOM 332 CA GLU A 21 4.057 -13.286 8.680 1.00 0.49 C ATOM 333 C GLU A 21 3.473 -14.628 8.254 1.00 0.48 C ATOM 334 O GLU A 21 3.891 -15.682 8.736 1.00 0.51 O ATOM 335 CB GLU A 21 3.052 -12.542 9.560 1.00 0.59 C ATOM 336 CG GLU A 21 2.669 -13.295 10.824 1.00 1.23 C ATOM 337 CD GLU A 21 1.659 -12.546 11.665 1.00 1.83 C ATOM 338 OE1 GLU A 21 2.065 -11.661 12.446 1.00 2.39 O ATOM 339 OE2 GLU A 21 0.448 -12.837 11.550 1.00 2.49 O ATOM 0 H GLU A 21 3.903 -11.600 7.443 1.00 0.39 H new ATOM 0 HA GLU A 21 4.967 -13.464 9.253 1.00 0.49 H new ATOM 0 HB2 GLU A 21 3.472 -11.575 9.837 1.00 0.59 H new ATOM 0 HB3 GLU A 21 2.151 -12.344 8.979 1.00 0.59 H new ATOM 0 HG2 GLU A 21 2.260 -14.268 10.553 1.00 1.23 H new ATOM 0 HG3 GLU A 21 3.564 -13.480 11.417 1.00 1.23 H new ATOM 346 N LYS A 22 2.522 -14.582 7.330 1.00 0.46 N ATOM 347 CA LYS A 22 1.878 -15.791 6.833 1.00 0.49 C ATOM 348 C LYS A 22 2.741 -16.475 5.778 1.00 0.42 C ATOM 349 O LYS A 22 2.412 -17.554 5.289 1.00 0.44 O ATOM 350 CB LYS A 22 0.500 -15.455 6.257 1.00 0.57 C ATOM 351 CG LYS A 22 -0.474 -14.923 7.297 1.00 0.67 C ATOM 352 CD LYS A 22 -1.784 -14.468 6.669 1.00 0.80 C ATOM 353 CE LYS A 22 -1.582 -13.273 5.752 1.00 0.72 C ATOM 354 NZ LYS A 22 -2.873 -12.740 5.243 1.00 1.42 N ATOM 0 H LYS A 22 2.179 -13.719 6.909 1.00 0.46 H new ATOM 0 HA LYS A 22 1.754 -16.481 7.668 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.616 -14.715 5.465 1.00 0.57 H new ATOM 0 HB3 LYS A 22 0.078 -16.349 5.798 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -0.676 -15.699 8.035 1.00 0.67 H new ATOM 0 HG3 LYS A 22 -0.017 -14.088 7.828 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -2.222 -15.291 6.104 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.493 -14.208 7.455 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -1.052 -12.487 6.291 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -0.952 -13.563 4.911 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -2.692 -11.926 4.622 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.368 -13.481 4.707 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -3.464 -12.439 6.044 1.00 1.42 H new ATOM 368 N LYS A 23 3.856 -15.819 5.447 1.00 0.36 N ATOM 369 CA LYS A 23 4.835 -16.331 4.489 1.00 0.32 C ATOM 370 C LYS A 23 4.196 -16.649 3.143 1.00 0.36 C ATOM 371 O LYS A 23 4.519 -17.658 2.519 1.00 0.41 O ATOM 372 CB LYS A 23 5.543 -17.570 5.048 1.00 0.36 C ATOM 373 CG LYS A 23 6.388 -17.286 6.282 1.00 0.42 C ATOM 374 CD LYS A 23 7.119 -18.531 6.764 1.00 0.57 C ATOM 375 CE LYS A 23 6.152 -19.600 7.252 1.00 1.21 C ATOM 376 NZ LYS A 23 6.862 -20.830 7.686 1.00 1.79 N ATOM 0 H LYS A 23 4.105 -14.911 5.840 1.00 0.36 H new ATOM 0 HA LYS A 23 5.573 -15.545 4.328 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.796 -18.324 5.296 1.00 0.36 H new ATOM 0 HB3 LYS A 23 6.180 -17.995 4.272 1.00 0.36 H new ATOM 0 HG2 LYS A 23 7.113 -16.504 6.055 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.750 -16.907 7.080 1.00 0.42 H new ATOM 0 HD2 LYS A 23 7.726 -18.933 5.953 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.801 -18.263 7.570 1.00 0.57 H new ATOM 0 HE2 LYS A 23 5.565 -19.207 8.082 1.00 1.21 H new ATOM 0 HE3 LYS A 23 5.451 -19.847 6.455 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 6.169 -21.534 8.011 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 7.402 -21.219 6.887 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 7.512 -20.599 8.464 1.00 1.79 H new ATOM 390 N GLU A 24 3.309 -15.772 2.686 1.00 0.37 N ATOM 391 CA GLU A 24 2.619 -15.982 1.417 1.00 0.46 C ATOM 392 C GLU A 24 3.456 -15.477 0.247 1.00 0.40 C ATOM 393 O GLU A 24 3.002 -15.465 -0.898 1.00 0.43 O ATOM 394 CB GLU A 24 1.254 -15.296 1.416 1.00 0.57 C ATOM 395 CG GLU A 24 0.273 -15.887 2.413 1.00 0.84 C ATOM 396 CD GLU A 24 -1.144 -15.414 2.176 1.00 1.08 C ATOM 397 OE1 GLU A 24 -1.790 -15.919 1.236 1.00 1.65 O ATOM 398 OE2 GLU A 24 -1.621 -14.539 2.924 1.00 1.83 O ATOM 0 H GLU A 24 3.051 -14.913 3.172 1.00 0.37 H new ATOM 0 HA GLU A 24 2.470 -17.055 1.299 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.389 -14.237 1.637 1.00 0.57 H new ATOM 0 HB3 GLU A 24 0.825 -15.361 0.416 1.00 0.57 H new ATOM 0 HG2 GLU A 24 0.306 -16.975 2.350 1.00 0.84 H new ATOM 0 HG3 GLU A 24 0.579 -15.617 3.424 1.00 0.84 H new ATOM 405 N ILE A 25 4.677 -15.061 0.542 1.00 0.36 N ATOM 406 CA ILE A 25 5.600 -14.603 -0.480 1.00 0.33 C ATOM 407 C ILE A 25 6.946 -15.299 -0.299 1.00 0.33 C ATOM 408 O ILE A 25 7.336 -15.626 0.826 1.00 0.34 O ATOM 409 CB ILE A 25 5.781 -13.064 -0.433 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.646 -12.588 -1.606 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.389 -12.635 0.896 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.792 -11.083 -1.692 1.00 0.28 C ATOM 0 H ILE A 25 5.053 -15.032 1.490 1.00 0.36 H new ATOM 0 HA ILE A 25 5.185 -14.856 -1.456 1.00 0.33 H new ATOM 0 HB ILE A 25 4.799 -12.599 -0.522 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.636 -13.035 -1.518 1.00 0.30 H new ATOM 0 HG13 ILE A 25 6.212 -12.955 -2.536 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.508 -11.552 0.909 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.732 -12.938 1.711 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.363 -13.108 1.020 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.417 -10.826 -2.547 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.809 -10.628 -1.812 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.255 -10.710 -0.779 1.00 0.28 H new ATOM 424 N SER A 26 7.627 -15.556 -1.408 1.00 0.35 N ATOM 425 CA SER A 26 8.929 -16.206 -1.386 1.00 0.38 C ATOM 426 C SER A 26 9.930 -15.417 -0.540 1.00 0.34 C ATOM 427 O SER A 26 9.810 -14.194 -0.420 1.00 0.31 O ATOM 428 CB SER A 26 9.447 -16.364 -2.815 1.00 0.46 C ATOM 429 OG SER A 26 8.479 -16.995 -3.643 1.00 1.45 O ATOM 0 H SER A 26 7.294 -15.321 -2.343 1.00 0.35 H new ATOM 0 HA SER A 26 8.816 -17.190 -0.931 1.00 0.38 H new ATOM 0 HB2 SER A 26 9.698 -15.386 -3.224 1.00 0.46 H new ATOM 0 HB3 SER A 26 10.365 -16.952 -2.810 1.00 0.46 H new ATOM 0 HG SER A 26 8.834 -17.083 -4.552 1.00 1.45 H new ATOM 435 N GLU A 27 10.903 -16.118 0.039 1.00 0.40 N ATOM 436 CA GLU A 27 11.833 -15.525 1.007 1.00 0.45 C ATOM 437 C GLU A 27 12.455 -14.226 0.491 1.00 0.40 C ATOM 438 O GLU A 27 12.458 -13.212 1.196 1.00 0.44 O ATOM 439 CB GLU A 27 12.930 -16.530 1.361 1.00 0.69 C ATOM 440 CG GLU A 27 12.397 -17.791 2.020 1.00 0.75 C ATOM 441 CD GLU A 27 13.481 -18.803 2.317 1.00 1.21 C ATOM 442 OE1 GLU A 27 13.822 -19.593 1.412 1.00 1.87 O ATOM 443 OE2 GLU A 27 13.977 -18.834 3.462 1.00 1.71 O ATOM 0 H GLU A 27 11.071 -17.107 -0.146 1.00 0.40 H new ATOM 0 HA GLU A 27 11.261 -15.277 1.901 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.470 -16.802 0.454 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.648 -16.054 2.029 1.00 0.69 H new ATOM 0 HG2 GLU A 27 11.892 -17.524 2.948 1.00 0.75 H new ATOM 0 HG3 GLU A 27 11.650 -18.247 1.370 1.00 0.75 H new ATOM 450 N ASP A 28 12.952 -14.256 -0.744 1.00 0.39 N ATOM 451 CA ASP A 28 13.584 -13.083 -1.351 1.00 0.39 C ATOM 452 C ASP A 28 12.627 -11.901 -1.366 1.00 0.35 C ATOM 453 O ASP A 28 13.007 -10.766 -1.072 1.00 0.38 O ATOM 454 CB ASP A 28 14.035 -13.384 -2.782 1.00 0.46 C ATOM 455 CG ASP A 28 15.189 -14.361 -2.845 1.00 1.01 C ATOM 456 OD1 ASP A 28 16.340 -13.944 -2.608 1.00 1.85 O ATOM 457 OD2 ASP A 28 14.951 -15.550 -3.141 1.00 1.63 O ATOM 0 H ASP A 28 12.930 -15.080 -1.345 1.00 0.39 H new ATOM 0 HA ASP A 28 14.456 -12.832 -0.747 1.00 0.39 H new ATOM 0 HB2 ASP A 28 13.193 -13.787 -3.345 1.00 0.46 H new ATOM 0 HB3 ASP A 28 14.327 -12.453 -3.268 1.00 0.46 H new ATOM 462 N GLY A 29 11.376 -12.183 -1.699 1.00 0.31 N ATOM 463 CA GLY A 29 10.369 -11.150 -1.738 1.00 0.30 C ATOM 464 C GLY A 29 10.045 -10.620 -0.359 1.00 0.26 C ATOM 465 O GLY A 29 9.880 -9.415 -0.181 1.00 0.24 O ATOM 0 H GLY A 29 11.042 -13.115 -1.944 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.714 -10.331 -2.369 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.462 -11.545 -2.196 1.00 0.30 H new ATOM 469 N ALA A 30 9.953 -11.520 0.618 1.00 0.24 N ATOM 470 CA ALA A 30 9.667 -11.138 1.998 1.00 0.23 C ATOM 471 C ALA A 30 10.682 -10.129 2.525 1.00 0.22 C ATOM 472 O ALA A 30 10.307 -9.102 3.092 1.00 0.21 O ATOM 473 CB ALA A 30 9.640 -12.371 2.887 1.00 0.24 C ATOM 0 H ALA A 30 10.073 -12.523 0.478 1.00 0.24 H new ATOM 0 HA ALA A 30 8.687 -10.661 2.015 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.426 -12.075 3.914 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.866 -13.054 2.538 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.609 -12.869 2.848 1.00 0.24 H new ATOM 479 N ASP A 31 11.964 -10.420 2.336 1.00 0.24 N ATOM 480 CA ASP A 31 13.024 -9.507 2.755 1.00 0.25 C ATOM 481 C ASP A 31 12.891 -8.169 2.046 1.00 0.23 C ATOM 482 O ASP A 31 13.076 -7.109 2.647 1.00 0.22 O ATOM 483 CB ASP A 31 14.402 -10.104 2.475 1.00 0.30 C ATOM 484 CG ASP A 31 14.810 -11.137 3.501 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.175 -10.747 4.628 1.00 1.34 O ATOM 486 OD2 ASP A 31 14.785 -12.344 3.184 1.00 1.46 O ATOM 0 H ASP A 31 12.295 -11.279 1.896 1.00 0.24 H new ATOM 0 HA ASP A 31 12.922 -9.351 3.829 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.401 -10.561 1.486 1.00 0.30 H new ATOM 0 HB3 ASP A 31 15.143 -9.305 2.456 1.00 0.30 H new ATOM 491 N SER A 32 12.542 -8.227 0.770 1.00 0.24 N ATOM 492 CA SER A 32 12.368 -7.027 -0.031 1.00 0.23 C ATOM 493 C SER A 32 11.186 -6.199 0.489 1.00 0.20 C ATOM 494 O SER A 32 11.183 -4.974 0.393 1.00 0.22 O ATOM 495 CB SER A 32 12.167 -7.404 -1.501 1.00 0.25 C ATOM 496 OG SER A 32 12.309 -6.278 -2.349 1.00 0.92 O ATOM 0 H SER A 32 12.373 -9.097 0.266 1.00 0.24 H new ATOM 0 HA SER A 32 13.267 -6.415 0.050 1.00 0.23 H new ATOM 0 HB2 SER A 32 12.891 -8.168 -1.784 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.176 -7.839 -1.634 1.00 0.25 H new ATOM 0 HG SER A 32 11.424 -5.974 -2.640 1.00 0.92 H new ATOM 502 N LEU A 33 10.191 -6.873 1.058 1.00 0.17 N ATOM 503 CA LEU A 33 9.044 -6.187 1.643 1.00 0.15 C ATOM 504 C LEU A 33 9.405 -5.590 2.997 1.00 0.14 C ATOM 505 O LEU A 33 8.895 -4.535 3.376 1.00 0.13 O ATOM 506 CB LEU A 33 7.859 -7.140 1.798 1.00 0.16 C ATOM 507 CG LEU A 33 7.292 -7.699 0.493 1.00 0.18 C ATOM 508 CD1 LEU A 33 6.133 -8.638 0.781 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.851 -6.570 -0.430 1.00 0.19 C ATOM 0 H LEU A 33 10.156 -7.890 1.126 1.00 0.17 H new ATOM 0 HA LEU A 33 8.759 -5.381 0.966 1.00 0.15 H new ATOM 0 HB2 LEU A 33 8.166 -7.975 2.428 1.00 0.16 H new ATOM 0 HB3 LEU A 33 7.061 -6.618 2.327 1.00 0.16 H new ATOM 0 HG LEU A 33 8.077 -8.262 -0.011 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.739 -9.028 -0.157 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.480 -9.465 1.401 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.347 -8.095 1.306 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.451 -6.990 -1.353 1.00 0.19 H new ATOM 0 HD22 LEU A 33 6.081 -5.977 0.063 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.706 -5.934 -0.661 1.00 0.19 H new ATOM 521 N ASN A 34 10.286 -6.269 3.721 1.00 0.15 N ATOM 522 CA ASN A 34 10.739 -5.785 5.020 1.00 0.16 C ATOM 523 C ASN A 34 11.479 -4.465 4.876 1.00 0.16 C ATOM 524 O ASN A 34 11.184 -3.503 5.588 1.00 0.16 O ATOM 525 CB ASN A 34 11.629 -6.820 5.714 1.00 0.18 C ATOM 526 CG ASN A 34 10.829 -7.838 6.507 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.566 -7.651 7.693 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.428 -8.921 5.860 1.00 0.21 N ATOM 0 H ASN A 34 10.701 -7.155 3.432 1.00 0.15 H new ATOM 0 HA ASN A 34 9.857 -5.623 5.640 1.00 0.16 H new ATOM 0 HB2 ASN A 34 12.229 -7.338 4.966 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.323 -6.309 6.381 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.883 -9.633 6.346 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.664 -9.044 4.875 1.00 0.21 H new ATOM 535 N VAL A 35 12.417 -4.408 3.936 1.00 0.17 N ATOM 536 CA VAL A 35 13.161 -3.181 3.693 1.00 0.19 C ATOM 537 C VAL A 35 12.244 -2.110 3.103 1.00 0.18 C ATOM 538 O VAL A 35 12.440 -0.918 3.334 1.00 0.20 O ATOM 539 CB VAL A 35 14.382 -3.406 2.768 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.338 -4.417 3.382 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.954 -3.860 1.381 1.00 0.22 C ATOM 0 H VAL A 35 12.677 -5.191 3.336 1.00 0.17 H new ATOM 0 HA VAL A 35 13.542 -2.842 4.656 1.00 0.19 H new ATOM 0 HB VAL A 35 14.897 -2.451 2.664 1.00 0.22 H new ATOM 0 HG11 VAL A 35 16.190 -4.562 2.718 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.688 -4.048 4.346 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.822 -5.367 3.523 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.836 -4.008 0.758 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.403 -4.797 1.459 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.315 -3.100 0.930 1.00 0.22 H new ATOM 551 N ALA A 36 11.226 -2.547 2.363 1.00 0.16 N ATOM 552 CA ALA A 36 10.237 -1.631 1.809 1.00 0.16 C ATOM 553 C ALA A 36 9.464 -0.941 2.927 1.00 0.15 C ATOM 554 O ALA A 36 9.345 0.284 2.941 1.00 0.15 O ATOM 555 CB ALA A 36 9.282 -2.366 0.878 1.00 0.18 C ATOM 0 H ALA A 36 11.067 -3.528 2.135 1.00 0.16 H new ATOM 0 HA ALA A 36 10.762 -0.872 1.230 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.552 -1.663 0.476 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.845 -2.813 0.059 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.764 -3.149 1.432 1.00 0.18 H new ATOM 561 N MET A 37 8.951 -1.736 3.870 1.00 0.14 N ATOM 562 CA MET A 37 8.221 -1.208 5.016 1.00 0.14 C ATOM 563 C MET A 37 9.062 -0.213 5.799 1.00 0.15 C ATOM 564 O MET A 37 8.548 0.793 6.295 1.00 0.18 O ATOM 565 CB MET A 37 7.791 -2.349 5.938 1.00 0.16 C ATOM 566 CG MET A 37 6.632 -3.171 5.404 1.00 0.16 C ATOM 567 SD MET A 37 6.086 -4.439 6.566 1.00 0.21 S ATOM 568 CE MET A 37 7.500 -5.539 6.578 1.00 0.19 C ATOM 0 H MET A 37 9.031 -2.753 3.858 1.00 0.14 H new ATOM 0 HA MET A 37 7.340 -0.690 4.637 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.643 -3.008 6.106 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.513 -1.934 6.907 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.797 -2.509 5.176 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.928 -3.645 4.468 1.00 0.16 H new ATOM 0 HE1 MET A 37 7.218 -6.490 7.030 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.837 -5.709 5.556 1.00 0.19 H new ATOM 0 HE3 MET A 37 8.307 -5.088 7.156 1.00 0.19 H new ATOM 578 N ASP A 38 10.351 -0.501 5.915 1.00 0.17 N ATOM 579 CA ASP A 38 11.278 0.393 6.598 1.00 0.23 C ATOM 580 C ASP A 38 11.310 1.758 5.921 1.00 0.19 C ATOM 581 O ASP A 38 11.179 2.789 6.580 1.00 0.22 O ATOM 582 CB ASP A 38 12.682 -0.213 6.629 1.00 0.33 C ATOM 583 CG ASP A 38 13.705 0.721 7.245 1.00 0.89 C ATOM 584 OD1 ASP A 38 13.710 0.871 8.486 1.00 1.41 O ATOM 585 OD2 ASP A 38 14.513 1.302 6.493 1.00 1.68 O ATOM 0 H ASP A 38 10.780 -1.349 5.544 1.00 0.17 H new ATOM 0 HA ASP A 38 10.930 0.524 7.623 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.659 -1.145 7.194 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.989 -0.463 5.613 1.00 0.33 H new ATOM 590 N CYS A 39 11.456 1.755 4.601 1.00 0.17 N ATOM 591 CA CYS A 39 11.503 2.990 3.828 1.00 0.18 C ATOM 592 C CYS A 39 10.175 3.744 3.904 1.00 0.16 C ATOM 593 O CYS A 39 10.152 4.974 3.954 1.00 0.19 O ATOM 594 CB CYS A 39 11.852 2.686 2.372 1.00 0.20 C ATOM 595 SG CYS A 39 13.446 1.863 2.156 1.00 0.26 S ATOM 0 H CYS A 39 11.544 0.907 4.042 1.00 0.17 H new ATOM 0 HA CYS A 39 12.277 3.626 4.257 1.00 0.18 H new ATOM 0 HB2 CYS A 39 11.070 2.059 1.945 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.856 3.619 1.808 1.00 0.20 H new ATOM 0 HG CYS A 39 13.360 0.634 2.572 1.00 0.26 H new ATOM 601 N ILE A 40 9.073 3.005 3.928 1.00 0.13 N ATOM 602 CA ILE A 40 7.751 3.612 4.026 1.00 0.13 C ATOM 603 C ILE A 40 7.580 4.300 5.379 1.00 0.15 C ATOM 604 O ILE A 40 7.184 5.466 5.456 1.00 0.16 O ATOM 605 CB ILE A 40 6.636 2.558 3.843 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.756 1.893 2.470 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.262 3.194 4.008 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.827 0.714 2.278 1.00 0.16 C ATOM 0 H ILE A 40 9.068 1.986 3.881 1.00 0.13 H new ATOM 0 HA ILE A 40 7.668 4.350 3.228 1.00 0.13 H new ATOM 0 HB ILE A 40 6.753 1.795 4.612 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.550 2.635 1.698 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.784 1.560 2.327 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.491 2.435 3.875 1.00 0.16 H new ATOM 0 HG22 ILE A 40 5.178 3.626 5.005 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.132 3.978 3.262 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.971 0.296 1.282 1.00 0.16 H new ATOM 0 HD12 ILE A 40 6.047 -0.048 3.026 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.794 1.043 2.388 1.00 0.16 H new ATOM 620 N SER A 41 7.907 3.574 6.439 1.00 0.21 N ATOM 621 CA SER A 41 7.786 4.092 7.793 1.00 0.28 C ATOM 622 C SER A 41 8.728 5.271 8.007 1.00 0.30 C ATOM 623 O SER A 41 8.368 6.254 8.650 1.00 0.34 O ATOM 624 CB SER A 41 8.084 2.981 8.798 1.00 0.37 C ATOM 625 OG SER A 41 7.314 1.825 8.510 1.00 1.13 O ATOM 0 H SER A 41 8.260 2.619 6.385 1.00 0.21 H new ATOM 0 HA SER A 41 6.766 4.445 7.944 1.00 0.28 H new ATOM 0 HB2 SER A 41 9.145 2.734 8.770 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.864 3.328 9.808 1.00 0.37 H new ATOM 0 HG SER A 41 7.708 1.351 7.748 1.00 1.13 H new ATOM 631 N GLU A 42 9.928 5.164 7.450 1.00 0.32 N ATOM 632 CA GLU A 42 10.927 6.223 7.558 1.00 0.37 C ATOM 633 C GLU A 42 10.483 7.478 6.802 1.00 0.31 C ATOM 634 O GLU A 42 10.864 8.594 7.155 1.00 0.44 O ATOM 635 CB GLU A 42 12.272 5.733 7.018 1.00 0.46 C ATOM 636 CG GLU A 42 13.441 6.634 7.383 1.00 0.59 C ATOM 637 CD GLU A 42 13.721 6.648 8.873 1.00 1.45 C ATOM 638 OE1 GLU A 42 13.031 7.381 9.616 1.00 2.23 O ATOM 639 OE2 GLU A 42 14.631 5.916 9.315 1.00 2.00 O ATOM 0 H GLU A 42 10.235 4.351 6.916 1.00 0.32 H new ATOM 0 HA GLU A 42 11.036 6.481 8.611 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.464 4.731 7.401 1.00 0.46 H new ATOM 0 HB3 GLU A 42 12.211 5.654 5.933 1.00 0.46 H new ATOM 0 HG2 GLU A 42 14.332 6.300 6.852 1.00 0.59 H new ATOM 0 HG3 GLU A 42 13.232 7.649 7.046 1.00 0.59 H new ATOM 646 N ALA A 43 9.667 7.292 5.770 1.00 0.18 N ATOM 647 CA ALA A 43 9.203 8.407 4.957 1.00 0.16 C ATOM 648 C ALA A 43 8.205 9.271 5.718 1.00 0.17 C ATOM 649 O ALA A 43 8.361 10.487 5.791 1.00 0.25 O ATOM 650 CB ALA A 43 8.577 7.904 3.664 1.00 0.19 C ATOM 0 H ALA A 43 9.314 6.380 5.478 1.00 0.18 H new ATOM 0 HA ALA A 43 10.070 9.021 4.715 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.237 8.752 3.070 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.317 7.338 3.098 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.729 7.260 3.897 1.00 0.19 H new ATOM 656 N PHE A 44 7.183 8.641 6.284 1.00 0.19 N ATOM 657 CA PHE A 44 6.123 9.386 6.958 1.00 0.26 C ATOM 658 C PHE A 44 6.389 9.527 8.453 1.00 0.30 C ATOM 659 O PHE A 44 5.656 10.212 9.163 1.00 0.35 O ATOM 660 CB PHE A 44 4.766 8.724 6.724 1.00 0.27 C ATOM 661 CG PHE A 44 4.374 8.656 5.279 1.00 0.27 C ATOM 662 CD1 PHE A 44 4.039 9.806 4.587 1.00 1.15 C ATOM 663 CD2 PHE A 44 4.348 7.443 4.610 1.00 1.10 C ATOM 664 CE1 PHE A 44 3.683 9.749 3.255 1.00 1.15 C ATOM 665 CE2 PHE A 44 3.992 7.381 3.277 1.00 1.13 C ATOM 666 CZ PHE A 44 3.659 8.535 2.598 1.00 0.31 C ATOM 0 H PHE A 44 7.064 7.628 6.291 1.00 0.19 H new ATOM 0 HA PHE A 44 6.109 10.387 6.528 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.788 7.714 7.134 1.00 0.27 H new ATOM 0 HB3 PHE A 44 4.003 9.275 7.274 1.00 0.27 H new ATOM 0 HD1 PHE A 44 4.056 10.759 5.095 1.00 1.15 H new ATOM 0 HD2 PHE A 44 4.609 6.537 5.136 1.00 1.10 H new ATOM 0 HE1 PHE A 44 3.423 10.654 2.726 1.00 1.15 H new ATOM 0 HE2 PHE A 44 3.974 6.430 2.766 1.00 1.13 H new ATOM 0 HZ PHE A 44 3.380 8.489 1.556 1.00 0.31 H new ATOM 676 N GLY A 45 7.440 8.860 8.918 1.00 0.29 N ATOM 677 CA GLY A 45 7.844 8.958 10.310 1.00 0.35 C ATOM 678 C GLY A 45 6.815 8.389 11.266 1.00 0.37 C ATOM 679 O GLY A 45 6.386 9.070 12.196 1.00 0.43 O ATOM 0 H GLY A 45 8.025 8.247 8.350 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.789 8.432 10.446 1.00 0.35 H new ATOM 0 HA3 GLY A 45 8.023 10.004 10.558 1.00 0.35 H new ATOM 683 N PHE A 46 6.421 7.142 11.049 1.00 0.36 N ATOM 684 CA PHE A 46 5.421 6.507 11.898 1.00 0.39 C ATOM 685 C PHE A 46 5.833 5.078 12.232 1.00 0.40 C ATOM 686 O PHE A 46 6.744 4.524 11.612 1.00 0.41 O ATOM 687 CB PHE A 46 4.042 6.521 11.217 1.00 0.37 C ATOM 688 CG PHE A 46 3.917 5.601 10.032 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.529 5.907 8.828 1.00 1.27 C ATOM 690 CD2 PHE A 46 3.174 4.434 10.122 1.00 1.17 C ATOM 691 CE1 PHE A 46 4.405 5.068 7.738 1.00 1.26 C ATOM 692 CE2 PHE A 46 3.048 3.590 9.036 1.00 1.18 C ATOM 693 CZ PHE A 46 3.664 3.907 7.842 1.00 0.22 C ATOM 0 H PHE A 46 6.776 6.552 10.297 1.00 0.36 H new ATOM 0 HA PHE A 46 5.352 7.074 12.826 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.286 6.248 11.953 1.00 0.37 H new ATOM 0 HB3 PHE A 46 3.821 7.539 10.895 1.00 0.37 H new ATOM 0 HD1 PHE A 46 5.110 6.813 8.740 1.00 1.27 H new ATOM 0 HD2 PHE A 46 2.688 4.182 11.053 1.00 1.17 H new ATOM 0 HE1 PHE A 46 4.887 5.320 6.805 1.00 1.26 H new ATOM 0 HE2 PHE A 46 2.468 2.683 9.121 1.00 1.18 H new ATOM 0 HZ PHE A 46 3.567 3.249 6.991 1.00 0.22 H new ATOM 703 N GLU A 47 5.155 4.488 13.207 1.00 0.42 N ATOM 704 CA GLU A 47 5.444 3.127 13.638 1.00 0.44 C ATOM 705 C GLU A 47 4.490 2.157 12.961 1.00 0.40 C ATOM 706 O GLU A 47 3.331 2.486 12.716 1.00 0.39 O ATOM 707 CB GLU A 47 5.302 3.008 15.158 1.00 0.53 C ATOM 708 CG GLU A 47 6.402 3.712 15.935 1.00 0.59 C ATOM 709 CD GLU A 47 7.779 3.188 15.589 1.00 1.14 C ATOM 710 OE1 GLU A 47 8.107 2.052 15.991 1.00 1.56 O ATOM 711 OE2 GLU A 47 8.532 3.902 14.895 1.00 1.92 O ATOM 0 H GLU A 47 4.394 4.935 13.718 1.00 0.42 H new ATOM 0 HA GLU A 47 6.469 2.883 13.358 1.00 0.44 H new ATOM 0 HB2 GLU A 47 4.338 3.421 15.457 1.00 0.53 H new ATOM 0 HB3 GLU A 47 5.296 1.953 15.431 1.00 0.53 H new ATOM 0 HG2 GLU A 47 6.361 4.782 15.729 1.00 0.59 H new ATOM 0 HG3 GLU A 47 6.226 3.586 17.003 1.00 0.59 H new ATOM 718 N ARG A 48 4.968 0.950 12.687 1.00 0.41 N ATOM 719 CA ARG A 48 4.169 -0.040 11.986 1.00 0.40 C ATOM 720 C ARG A 48 3.222 -0.726 12.955 1.00 0.41 C ATOM 721 O ARG A 48 2.244 -1.344 12.554 1.00 0.43 O ATOM 722 CB ARG A 48 5.066 -1.070 11.306 1.00 0.44 C ATOM 723 CG ARG A 48 5.878 -0.500 10.158 1.00 0.61 C ATOM 724 CD ARG A 48 6.816 -1.536 9.571 1.00 0.91 C ATOM 725 NE ARG A 48 7.845 -1.946 10.524 1.00 1.18 N ATOM 726 CZ ARG A 48 8.380 -3.165 10.574 1.00 1.88 C ATOM 727 NH1 ARG A 48 7.954 -4.120 9.754 1.00 2.57 N ATOM 728 NH2 ARG A 48 9.333 -3.434 11.456 1.00 2.20 N ATOM 0 H ARG A 48 5.905 0.636 12.940 1.00 0.41 H new ATOM 0 HA ARG A 48 3.584 0.466 11.218 1.00 0.40 H new ATOM 0 HB2 ARG A 48 5.745 -1.494 12.046 1.00 0.44 H new ATOM 0 HB3 ARG A 48 4.449 -1.888 10.934 1.00 0.44 H new ATOM 0 HG2 ARG A 48 5.206 -0.135 9.381 1.00 0.61 H new ATOM 0 HG3 ARG A 48 6.454 0.356 10.509 1.00 0.61 H new ATOM 0 HD2 ARG A 48 6.242 -2.409 9.259 1.00 0.91 H new ATOM 0 HD3 ARG A 48 7.290 -1.130 8.677 1.00 0.91 H new ATOM 0 HE ARG A 48 8.176 -1.253 11.195 1.00 1.18 H new ATOM 0 HH11 ARG A 48 7.213 -3.922 9.081 1.00 2.57 H new ATOM 0 HH12 ARG A 48 8.368 -5.051 9.797 1.00 2.57 H new ATOM 0 HH21 ARG A 48 9.656 -2.708 12.095 1.00 2.20 H new ATOM 0 HH22 ARG A 48 9.743 -4.367 11.495 1.00 2.20 H new ATOM 742 N GLU A 49 3.526 -0.613 14.241 1.00 0.42 N ATOM 743 CA GLU A 49 2.688 -1.199 15.277 1.00 0.46 C ATOM 744 C GLU A 49 1.552 -0.253 15.639 1.00 0.42 C ATOM 745 O GLU A 49 0.679 -0.585 16.440 1.00 0.46 O ATOM 746 CB GLU A 49 3.519 -1.516 16.519 1.00 0.56 C ATOM 747 CG GLU A 49 4.656 -2.487 16.252 1.00 1.14 C ATOM 748 CD GLU A 49 4.175 -3.792 15.656 1.00 1.54 C ATOM 749 OE1 GLU A 49 3.793 -4.697 16.424 1.00 2.23 O ATOM 750 OE2 GLU A 49 4.190 -3.924 14.415 1.00 2.06 O ATOM 0 H GLU A 49 4.348 -0.120 14.591 1.00 0.42 H new ATOM 0 HA GLU A 49 2.264 -2.126 14.892 1.00 0.46 H new ATOM 0 HB2 GLU A 49 3.929 -0.589 16.919 1.00 0.56 H new ATOM 0 HB3 GLU A 49 2.867 -1.933 17.286 1.00 0.56 H new ATOM 0 HG2 GLU A 49 5.373 -2.024 15.574 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.183 -2.689 17.184 1.00 1.14 H new ATOM 757 N ALA A 50 1.571 0.927 15.040 1.00 0.40 N ATOM 758 CA ALA A 50 0.554 1.930 15.301 1.00 0.42 C ATOM 759 C ALA A 50 -0.570 1.840 14.279 1.00 0.37 C ATOM 760 O ALA A 50 -1.520 2.624 14.322 1.00 0.41 O ATOM 761 CB ALA A 50 1.171 3.319 15.288 1.00 0.48 C ATOM 0 H ALA A 50 2.283 1.213 14.368 1.00 0.40 H new ATOM 0 HA ALA A 50 0.132 1.742 16.288 1.00 0.42 H new ATOM 0 HB1 ALA A 50 0.398 4.062 15.485 1.00 0.48 H new ATOM 0 HB2 ALA A 50 1.940 3.383 16.058 1.00 0.48 H new ATOM 0 HB3 ALA A 50 1.618 3.510 14.312 1.00 0.48 H new ATOM 767 N VAL A 51 -0.455 0.876 13.364 1.00 0.33 N ATOM 768 CA VAL A 51 -1.443 0.698 12.305 1.00 0.31 C ATOM 769 C VAL A 51 -2.850 0.532 12.865 1.00 0.36 C ATOM 770 O VAL A 51 -3.793 1.081 12.317 1.00 0.41 O ATOM 771 CB VAL A 51 -1.115 -0.500 11.384 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.127 -0.215 10.560 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.937 -1.782 12.185 1.00 0.33 C ATOM 0 H VAL A 51 0.314 0.207 13.337 1.00 0.33 H new ATOM 0 HA VAL A 51 -1.402 1.610 11.709 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.959 -0.640 10.709 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.342 -1.069 9.918 1.00 0.27 H new ATOM 0 HG12 VAL A 51 -0.040 0.669 9.944 1.00 0.27 H new ATOM 0 HG13 VAL A 51 0.972 -0.039 11.225 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.707 -2.605 11.508 1.00 0.33 H new ATOM 0 HG22 VAL A 51 -0.119 -1.657 12.895 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.857 -2.003 12.726 1.00 0.33 H new ATOM 783 N SER A 52 -2.980 -0.195 13.965 1.00 0.37 N ATOM 784 CA SER A 52 -4.279 -0.424 14.583 1.00 0.45 C ATOM 785 C SER A 52 -4.962 0.901 14.929 1.00 0.48 C ATOM 786 O SER A 52 -6.084 1.168 14.487 1.00 0.51 O ATOM 787 CB SER A 52 -4.097 -1.287 15.831 1.00 0.53 C ATOM 788 OG SER A 52 -2.920 -0.914 16.530 1.00 1.24 O ATOM 0 H SER A 52 -2.199 -0.638 14.450 1.00 0.37 H new ATOM 0 HA SER A 52 -4.924 -0.947 13.877 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.963 -1.179 16.484 1.00 0.53 H new ATOM 0 HB3 SER A 52 -4.040 -2.338 15.548 1.00 0.53 H new ATOM 0 HG SER A 52 -2.821 -1.476 17.327 1.00 1.24 H new ATOM 794 N GLY A 53 -4.275 1.714 15.724 1.00 0.51 N ATOM 795 CA GLY A 53 -4.764 3.041 16.058 1.00 0.57 C ATOM 796 C GLY A 53 -5.115 3.879 14.839 1.00 0.55 C ATOM 797 O GLY A 53 -6.107 4.607 14.848 1.00 0.59 O ATOM 0 H GLY A 53 -3.378 1.475 16.148 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -5.646 2.946 16.691 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -4.006 3.563 16.643 1.00 0.57 H new ATOM 801 N ILE A 54 -4.314 3.768 13.783 1.00 0.50 N ATOM 802 CA ILE A 54 -4.542 4.551 12.572 1.00 0.51 C ATOM 803 C ILE A 54 -5.732 4.007 11.781 1.00 0.50 C ATOM 804 O ILE A 54 -6.585 4.766 11.329 1.00 0.57 O ATOM 805 CB ILE A 54 -3.298 4.571 11.657 1.00 0.49 C ATOM 806 CG1 ILE A 54 -2.075 5.073 12.429 1.00 0.48 C ATOM 807 CG2 ILE A 54 -3.552 5.450 10.437 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.773 4.943 11.667 1.00 0.49 C ATOM 0 H ILE A 54 -3.506 3.147 13.741 1.00 0.50 H new ATOM 0 HA ILE A 54 -4.754 5.570 12.897 1.00 0.51 H new ATOM 0 HB ILE A 54 -3.100 3.554 11.318 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -2.228 6.120 12.692 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.995 4.518 13.364 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -2.667 5.455 9.801 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -4.400 5.057 9.876 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -3.771 6.467 10.761 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.046 5.319 12.280 1.00 0.49 H new ATOM 0 HD12 ILE A 54 -0.595 3.895 11.427 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.832 5.521 10.745 1.00 0.49 H new ATOM 820 N LEU A 55 -5.776 2.691 11.618 1.00 0.47 N ATOM 821 CA LEU A 55 -6.848 2.043 10.864 1.00 0.48 C ATOM 822 C LEU A 55 -8.209 2.297 11.505 1.00 0.55 C ATOM 823 O LEU A 55 -9.184 2.563 10.808 1.00 0.65 O ATOM 824 CB LEU A 55 -6.592 0.539 10.720 1.00 0.48 C ATOM 825 CG LEU A 55 -5.282 0.170 10.014 1.00 0.46 C ATOM 826 CD1 LEU A 55 -5.255 -1.308 9.654 1.00 0.52 C ATOM 827 CD2 LEU A 55 -5.073 1.032 8.779 1.00 0.46 C ATOM 0 H LEU A 55 -5.081 2.048 11.998 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.858 2.483 9.867 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -6.592 0.089 11.713 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -7.422 0.095 10.169 1.00 0.48 H new ATOM 0 HG LEU A 55 -4.461 0.362 10.705 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -4.315 -1.544 9.154 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -5.343 -1.905 10.562 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -6.087 -1.535 8.988 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -4.138 0.753 8.294 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.900 0.881 8.086 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -5.031 2.081 9.071 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.460 -10.191 -3.661 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.532 -9.195 -3.141 1.00 0.36 C ATOM 1169 C LYS B 5 -0.986 -8.323 -4.262 1.00 0.27 C ATOM 1170 O LYS B 5 -0.497 -7.222 -4.019 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.402 -9.870 -2.355 1.00 0.42 C ATOM 1172 CG LYS B 5 0.263 -11.028 -3.080 1.00 0.41 C ATOM 1173 CD LYS B 5 1.102 -11.865 -2.130 1.00 0.54 C ATOM 1174 CE LYS B 5 1.680 -13.086 -2.826 1.00 0.73 C ATOM 1175 NZ LYS B 5 0.617 -14.016 -3.292 1.00 1.14 N ATOM 0 HA LYS B 5 -2.074 -8.545 -2.455 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.355 -9.123 -2.118 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -0.801 -10.232 -1.407 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -0.499 -11.655 -3.544 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.893 -10.644 -3.883 1.00 0.41 H new ATOM 0 HD2 LYS B 5 1.912 -11.257 -1.727 1.00 0.54 H new ATOM 0 HD3 LYS B 5 0.490 -12.182 -1.285 1.00 0.54 H new ATOM 0 HE2 LYS B 5 2.282 -12.767 -3.677 1.00 0.73 H new ATOM 0 HE3 LYS B 5 2.347 -13.611 -2.143 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 1.037 -14.942 -3.510 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 -0.098 -14.128 -2.545 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 0.168 -13.629 -4.147 1.00 1.14 H new ATOM 1189 N GLU B 6 -1.087 -8.822 -5.489 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.729 -8.053 -6.672 1.00 0.36 C ATOM 1191 C GLU B 6 -1.652 -6.844 -6.824 1.00 0.38 C ATOM 1192 O GLU B 6 -1.202 -5.746 -7.151 1.00 0.40 O ATOM 1193 CB GLU B 6 -0.814 -8.939 -7.917 1.00 0.49 C ATOM 1194 CG GLU B 6 -0.439 -8.233 -9.207 1.00 0.99 C ATOM 1195 CD GLU B 6 -0.553 -9.139 -10.414 1.00 1.46 C ATOM 1196 OE1 GLU B 6 0.303 -10.035 -10.575 1.00 2.00 O ATOM 1197 OE2 GLU B 6 -1.506 -8.974 -11.202 1.00 2.11 O ATOM 0 H GLU B 6 -1.418 -9.766 -5.690 1.00 0.29 H new ATOM 0 HA GLU B 6 0.294 -7.695 -6.559 1.00 0.36 H new ATOM 0 HB2 GLU B 6 -0.159 -9.800 -7.783 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -1.830 -9.323 -8.008 1.00 0.49 H new ATOM 0 HG2 GLU B 6 -1.085 -7.366 -9.345 1.00 0.99 H new ATOM 0 HG3 GLU B 6 0.583 -7.861 -9.131 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.942 -7.055 -6.561 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.936 -5.992 -6.671 1.00 0.48 C ATOM 1206 C GLU B 7 -3.608 -4.862 -5.706 1.00 0.40 C ATOM 1207 O GLU B 7 -3.622 -3.685 -6.073 1.00 0.39 O ATOM 1208 CB GLU B 7 -5.337 -6.529 -6.363 1.00 0.61 C ATOM 1209 CG GLU B 7 -5.768 -7.689 -7.242 1.00 0.74 C ATOM 1210 CD GLU B 7 -7.075 -8.310 -6.775 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -7.060 -9.066 -5.783 1.00 1.25 O ATOM 1212 OE2 GLU B 7 -8.122 -8.057 -7.405 1.00 1.68 O ATOM 0 H GLU B 7 -3.322 -7.956 -6.270 1.00 0.41 H new ATOM 0 HA GLU B 7 -3.916 -5.614 -7.693 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -5.371 -6.846 -5.321 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -6.057 -5.718 -6.473 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -5.879 -7.342 -8.269 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.987 -8.450 -7.245 1.00 0.74 H new ATOM 1219 N ILE B 8 -3.301 -5.236 -4.471 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.986 -4.262 -3.441 1.00 0.35 C ATOM 1221 C ILE B 8 -1.641 -3.600 -3.716 1.00 0.27 C ATOM 1222 O ILE B 8 -1.532 -2.380 -3.645 1.00 0.24 O ATOM 1223 CB ILE B 8 -2.992 -4.896 -2.032 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.381 -5.466 -1.728 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -2.591 -3.872 -0.976 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -4.528 -6.032 -0.333 1.00 0.96 C ATOM 0 H ILE B 8 -3.264 -6.207 -4.161 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.765 -3.500 -3.467 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.262 -5.705 -2.008 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -5.123 -4.680 -1.869 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.606 -6.250 -2.451 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -2.602 -4.341 0.008 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -1.588 -3.502 -1.190 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.295 -3.040 -0.990 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -5.540 -6.414 -0.200 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -3.813 -6.842 -0.192 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -4.337 -5.248 0.400 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.626 -4.401 -4.043 1.00 0.24 N ATOM 1239 CA ALA B 9 0.698 -3.875 -4.377 1.00 0.20 C ATOM 1240 C ALA B 9 0.616 -2.826 -5.479 1.00 0.19 C ATOM 1241 O ALA B 9 1.309 -1.808 -5.429 1.00 0.16 O ATOM 1242 CB ALA B 9 1.629 -5.005 -4.791 1.00 0.21 C ATOM 0 H ALA B 9 -0.696 -5.418 -4.084 1.00 0.24 H new ATOM 0 HA ALA B 9 1.101 -3.394 -3.486 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.610 -4.597 -5.036 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.726 -5.715 -3.970 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.219 -5.513 -5.664 1.00 0.21 H new ATOM 1248 N ALA B 10 -0.241 -3.077 -6.465 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.471 -2.123 -7.541 1.00 0.25 C ATOM 1250 C ALA B 10 -0.972 -0.797 -6.982 1.00 0.23 C ATOM 1251 O ALA B 10 -0.438 0.264 -7.303 1.00 0.22 O ATOM 1252 CB ALA B 10 -1.463 -2.687 -8.545 1.00 0.33 C ATOM 0 H ALA B 10 -0.787 -3.935 -6.539 1.00 0.23 H new ATOM 0 HA ALA B 10 0.475 -1.944 -8.052 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.625 -1.962 -9.343 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -1.067 -3.610 -8.968 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -2.409 -2.893 -8.045 1.00 0.33 H new ATOM 1258 N LEU B 11 -1.990 -0.865 -6.129 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.524 0.324 -5.473 1.00 0.29 C ATOM 1260 C LEU B 11 -1.440 1.020 -4.653 1.00 0.26 C ATOM 1261 O LEU B 11 -1.344 2.245 -4.641 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.689 -0.051 -4.548 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.977 -0.496 -5.242 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -5.898 -1.190 -4.253 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.687 0.698 -5.865 1.00 0.63 C ATOM 0 H LEU B 11 -2.462 -1.733 -5.876 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.880 1.002 -6.249 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -3.359 -0.853 -3.888 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.917 0.808 -3.917 1.00 0.38 H new ATOM 0 HG LEU B 11 -4.715 -1.199 -6.033 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -6.810 -1.501 -4.762 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -5.396 -2.065 -3.841 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -6.149 -0.502 -3.446 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -6.601 0.363 -6.355 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -5.936 1.420 -5.087 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.033 1.167 -6.600 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.632 0.218 -3.978 1.00 0.21 N ATOM 1278 CA ILE B 12 0.418 0.716 -3.101 1.00 0.20 C ATOM 1279 C ILE B 12 1.438 1.561 -3.862 1.00 0.18 C ATOM 1280 O ILE B 12 1.658 2.728 -3.529 1.00 0.20 O ATOM 1281 CB ILE B 12 1.131 -0.455 -2.390 1.00 0.18 C ATOM 1282 CG1 ILE B 12 0.151 -1.161 -1.451 1.00 0.22 C ATOM 1283 CG2 ILE B 12 2.353 0.034 -1.628 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.727 -2.375 -0.757 1.00 0.24 C ATOM 0 H ILE B 12 -0.685 -0.800 -4.022 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.057 1.353 -2.355 1.00 0.20 H new ATOM 0 HB ILE B 12 1.474 -1.165 -3.142 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.188 -0.451 -0.696 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -0.727 -1.464 -2.021 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.837 -0.810 -1.136 1.00 0.20 H new ATOM 0 HG22 ILE B 12 3.053 0.499 -2.322 1.00 0.20 H new ATOM 0 HG23 ILE B 12 2.046 0.763 -0.878 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.030 -2.818 -0.110 1.00 0.24 H new ATOM 0 HD12 ILE B 12 1.040 -3.106 -1.503 1.00 0.24 H new ATOM 0 HD13 ILE B 12 1.587 -2.077 -0.158 1.00 0.24 H new ATOM 1296 N VAL B 13 2.051 0.980 -4.887 1.00 0.16 N ATOM 1297 CA VAL B 13 3.066 1.691 -5.654 1.00 0.16 C ATOM 1298 C VAL B 13 2.449 2.865 -6.414 1.00 0.16 C ATOM 1299 O VAL B 13 3.064 3.922 -6.544 1.00 0.18 O ATOM 1300 CB VAL B 13 3.821 0.758 -6.631 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.603 -0.296 -5.861 1.00 0.16 C ATOM 1302 CG2 VAL B 13 2.869 0.096 -7.615 1.00 0.14 C ATOM 0 H VAL B 13 1.865 0.028 -5.204 1.00 0.16 H new ATOM 0 HA VAL B 13 3.793 2.074 -4.938 1.00 0.16 H new ATOM 0 HB VAL B 13 4.520 1.370 -7.202 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.128 -0.944 -6.563 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.326 0.192 -5.207 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.916 -0.892 -5.261 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.432 -0.552 -8.286 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.135 -0.497 -7.069 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.356 0.862 -8.196 1.00 0.14 H new ATOM 1312 N ASN B 14 1.225 2.673 -6.895 1.00 0.18 N ATOM 1313 CA ASN B 14 0.489 3.735 -7.576 1.00 0.21 C ATOM 1314 C ASN B 14 0.310 4.940 -6.659 1.00 0.19 C ATOM 1315 O ASN B 14 0.481 6.086 -7.078 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.884 3.236 -8.030 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.634 4.266 -8.857 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -1.040 5.009 -9.640 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -2.941 4.331 -8.672 1.00 0.57 N ATOM 0 H ASN B 14 0.720 1.790 -6.826 1.00 0.18 H new ATOM 0 HA ASN B 14 1.068 4.033 -8.450 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.760 2.325 -8.616 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.479 2.974 -7.155 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -3.496 5.015 -9.187 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.395 3.697 -8.014 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.007 4.671 -5.398 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.277 5.734 -4.443 1.00 0.24 C ATOM 1328 C TYR B 15 0.973 6.556 -4.177 1.00 0.21 C ATOM 1329 O TYR B 15 0.934 7.785 -4.223 1.00 0.23 O ATOM 1330 CB TYR B 15 -0.827 5.182 -3.128 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.319 6.272 -2.202 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.350 7.116 -2.595 1.00 1.19 C ATOM 1333 CD2 TYR B 15 -0.751 6.466 -0.949 1.00 1.30 C ATOM 1334 CE1 TYR B 15 -2.801 8.123 -1.767 1.00 1.21 C ATOM 1335 CE2 TYR B 15 -1.201 7.471 -0.114 1.00 1.39 C ATOM 1336 CZ TYR B 15 -2.226 8.297 -0.530 1.00 0.64 C ATOM 1337 OH TYR B 15 -2.678 9.299 0.296 1.00 0.79 O ATOM 0 H TYR B 15 -0.083 3.728 -5.016 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.036 6.379 -4.886 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -1.645 4.494 -3.341 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.049 4.607 -2.626 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -2.806 6.982 -3.565 1.00 1.19 H new ATOM 0 HD2 TYR B 15 0.053 5.823 -0.623 1.00 1.30 H new ATOM 0 HE1 TYR B 15 -3.602 8.772 -2.089 1.00 1.21 H new ATOM 0 HE2 TYR B 15 -0.753 7.610 0.859 1.00 1.39 H new ATOM 0 HH TYR B 15 -3.402 8.956 0.860 1.00 0.79 H new ATOM 1347 N PHE B 16 2.085 5.883 -3.909 1.00 0.20 N ATOM 1348 CA PHE B 16 3.337 6.580 -3.651 1.00 0.20 C ATOM 1349 C PHE B 16 3.773 7.362 -4.881 1.00 0.19 C ATOM 1350 O PHE B 16 4.263 8.484 -4.767 1.00 0.20 O ATOM 1351 CB PHE B 16 4.443 5.608 -3.233 1.00 0.20 C ATOM 1352 CG PHE B 16 4.187 4.897 -1.931 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.738 5.592 -0.814 1.00 0.91 C ATOM 1354 CD2 PHE B 16 4.408 3.534 -1.816 1.00 1.04 C ATOM 1355 CE1 PHE B 16 3.517 4.941 0.381 1.00 0.91 C ATOM 1356 CE2 PHE B 16 4.185 2.880 -0.621 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.740 3.584 0.478 1.00 0.22 C ATOM 0 H PHE B 16 2.145 4.866 -3.865 1.00 0.20 H new ATOM 0 HA PHE B 16 3.165 7.273 -2.828 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.573 4.865 -4.019 1.00 0.20 H new ATOM 0 HB3 PHE B 16 5.382 6.157 -3.155 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.560 6.655 -0.883 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.759 2.976 -2.672 1.00 1.04 H new ATOM 0 HE1 PHE B 16 3.169 5.494 1.241 1.00 0.91 H new ATOM 0 HE2 PHE B 16 4.359 1.817 -0.547 1.00 1.04 H new ATOM 0 HZ PHE B 16 3.566 3.073 1.413 1.00 0.22 H new ATOM 1367 N SER B 17 3.565 6.774 -6.052 1.00 0.19 N ATOM 1368 CA SER B 17 3.902 7.424 -7.307 1.00 0.20 C ATOM 1369 C SER B 17 3.070 8.695 -7.481 1.00 0.20 C ATOM 1370 O SER B 17 3.547 9.699 -8.013 1.00 0.24 O ATOM 1371 CB SER B 17 3.669 6.462 -8.476 1.00 0.21 C ATOM 1372 OG SER B 17 4.243 6.951 -9.677 1.00 0.90 O ATOM 0 H SER B 17 3.162 5.843 -6.156 1.00 0.19 H new ATOM 0 HA SER B 17 4.956 7.701 -7.292 1.00 0.20 H new ATOM 0 HB2 SER B 17 4.097 5.488 -8.238 1.00 0.21 H new ATOM 0 HB3 SER B 17 2.599 6.313 -8.618 1.00 0.21 H new ATOM 0 HG SER B 17 4.078 6.313 -10.402 1.00 0.90 H new ATOM 1378 N SER B 18 1.828 8.651 -7.013 1.00 0.24 N ATOM 1379 CA SER B 18 0.950 9.808 -7.070 1.00 0.25 C ATOM 1380 C SER B 18 1.379 10.856 -6.040 1.00 0.25 C ATOM 1381 O SER B 18 1.436 12.051 -6.341 1.00 0.29 O ATOM 1382 CB SER B 18 -0.503 9.379 -6.826 1.00 0.26 C ATOM 1383 OG SER B 18 -1.400 10.461 -7.011 1.00 0.84 O ATOM 0 H SER B 18 1.408 7.824 -6.589 1.00 0.24 H new ATOM 0 HA SER B 18 1.021 10.253 -8.062 1.00 0.25 H new ATOM 0 HB2 SER B 18 -0.764 8.568 -7.506 1.00 0.26 H new ATOM 0 HB3 SER B 18 -0.604 8.990 -5.813 1.00 0.26 H new ATOM 0 HG SER B 18 -2.317 10.156 -6.850 1.00 0.84 H new ATOM 1389 N ILE B 19 1.696 10.398 -4.832 1.00 0.23 N ATOM 1390 CA ILE B 19 2.099 11.289 -3.747 1.00 0.24 C ATOM 1391 C ILE B 19 3.365 12.062 -4.105 1.00 0.25 C ATOM 1392 O ILE B 19 3.436 13.274 -3.896 1.00 0.28 O ATOM 1393 CB ILE B 19 2.319 10.514 -2.425 1.00 0.24 C ATOM 1394 CG1 ILE B 19 0.998 9.919 -1.928 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.929 11.416 -1.355 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.076 10.952 -1.649 1.00 0.27 C ATOM 0 H ILE B 19 1.681 9.410 -4.579 1.00 0.23 H new ATOM 0 HA ILE B 19 1.283 11.997 -3.602 1.00 0.24 H new ATOM 0 HB ILE B 19 3.018 9.702 -2.623 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.626 9.214 -2.672 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.187 9.351 -1.017 1.00 0.25 H new ATOM 0 HG21 ILE B 19 3.073 10.846 -0.437 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.891 11.793 -1.702 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.260 12.254 -1.161 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -0.980 10.452 -1.301 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.274 11.643 -0.882 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.295 11.505 -2.563 1.00 0.27 H new ATOM 1408 N VAL B 20 4.353 11.368 -4.658 1.00 0.25 N ATOM 1409 CA VAL B 20 5.605 12.009 -5.025 1.00 0.28 C ATOM 1410 C VAL B 20 5.424 12.902 -6.253 1.00 0.33 C ATOM 1411 O VAL B 20 6.062 13.947 -6.363 1.00 0.34 O ATOM 1412 CB VAL B 20 6.733 10.981 -5.271 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.993 10.166 -4.013 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.411 10.066 -6.443 1.00 0.30 C ATOM 0 H VAL B 20 4.310 10.369 -4.860 1.00 0.25 H new ATOM 0 HA VAL B 20 5.903 12.630 -4.180 1.00 0.28 H new ATOM 0 HB VAL B 20 7.637 11.535 -5.524 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.790 9.447 -4.203 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.291 10.832 -3.203 1.00 0.26 H new ATOM 0 HG13 VAL B 20 6.085 9.634 -3.730 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.226 9.357 -6.586 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.489 9.522 -6.237 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.286 10.662 -7.347 1.00 0.30 H new ATOM 1424 N GLU B 21 4.543 12.492 -7.166 1.00 0.39 N ATOM 1425 CA GLU B 21 4.217 13.295 -8.343 1.00 0.49 C ATOM 1426 C GLU B 21 3.613 14.634 -7.931 1.00 0.49 C ATOM 1427 O GLU B 21 4.026 15.692 -8.408 1.00 0.53 O ATOM 1428 CB GLU B 21 3.238 12.544 -9.245 1.00 0.60 C ATOM 1429 CG GLU B 21 2.877 13.292 -10.517 1.00 1.24 C ATOM 1430 CD GLU B 21 1.896 12.525 -11.376 1.00 1.84 C ATOM 1431 OE1 GLU B 21 2.340 11.651 -12.148 1.00 2.40 O ATOM 1432 OE2 GLU B 21 0.677 12.782 -11.275 1.00 2.49 O ATOM 0 H GLU B 21 4.041 11.606 -7.112 1.00 0.39 H new ATOM 0 HA GLU B 21 5.140 13.480 -8.893 1.00 0.49 H new ATOM 0 HB2 GLU B 21 3.671 11.580 -9.512 1.00 0.60 H new ATOM 0 HB3 GLU B 21 2.326 12.339 -8.684 1.00 0.60 H new ATOM 0 HG2 GLU B 21 2.449 14.260 -10.257 1.00 1.24 H new ATOM 0 HG3 GLU B 21 3.783 13.487 -11.090 1.00 1.24 H new ATOM 1439 N LYS B 22 2.638 14.580 -7.033 1.00 0.47 N ATOM 1440 CA LYS B 22 1.972 15.783 -6.552 1.00 0.50 C ATOM 1441 C LYS B 22 2.800 16.473 -5.473 1.00 0.43 C ATOM 1442 O LYS B 22 2.444 17.550 -4.987 1.00 0.44 O ATOM 1443 CB LYS B 22 0.582 15.439 -6.015 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.361 14.903 -7.081 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.683 14.438 -6.489 1.00 0.81 C ATOM 1446 CE LYS B 22 -1.494 13.243 -5.567 1.00 0.72 C ATOM 1447 NZ LYS B 22 -2.788 12.696 -5.090 1.00 1.41 N ATOM 0 H LYS B 22 2.290 13.714 -6.622 1.00 0.47 H new ATOM 0 HA LYS B 22 1.867 16.472 -7.390 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.680 14.698 -5.221 1.00 0.58 H new ATOM 0 HB3 LYS B 22 0.143 16.330 -5.567 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.549 15.679 -7.823 1.00 0.68 H new ATOM 0 HG3 LYS B 22 0.115 14.073 -7.602 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -2.142 15.257 -5.935 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.369 14.173 -7.293 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -0.943 12.463 -6.093 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -0.888 13.539 -4.711 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -2.612 11.884 -4.465 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -3.303 13.431 -4.565 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -3.357 12.389 -5.905 1.00 1.41 H new ATOM 1461 N LYS B 23 3.911 15.825 -5.114 1.00 0.37 N ATOM 1462 CA LYS B 23 4.863 16.342 -4.133 1.00 0.32 C ATOM 1463 C LYS B 23 4.190 16.656 -2.803 1.00 0.36 C ATOM 1464 O LYS B 23 4.494 17.663 -2.168 1.00 0.41 O ATOM 1465 CB LYS B 23 5.580 17.584 -4.676 1.00 0.36 C ATOM 1466 CG LYS B 23 6.460 17.301 -5.885 1.00 0.42 C ATOM 1467 CD LYS B 23 7.201 18.547 -6.347 1.00 0.57 C ATOM 1468 CE LYS B 23 6.246 19.612 -6.864 1.00 1.21 C ATOM 1469 NZ LYS B 23 6.964 20.847 -7.270 1.00 1.79 N ATOM 0 H LYS B 23 4.176 14.919 -5.501 1.00 0.37 H new ATOM 0 HA LYS B 23 5.601 15.560 -3.953 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.836 18.333 -4.946 1.00 0.36 H new ATOM 0 HB3 LYS B 23 6.193 18.015 -3.884 1.00 0.36 H new ATOM 0 HG2 LYS B 23 7.180 16.521 -5.636 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.846 16.920 -6.701 1.00 0.42 H new ATOM 0 HD2 LYS B 23 7.783 18.952 -5.519 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.907 18.280 -7.133 1.00 0.57 H new ATOM 0 HE2 LYS B 23 5.689 19.219 -7.715 1.00 1.21 H new ATOM 0 HE3 LYS B 23 5.517 19.853 -6.090 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 6.279 21.549 -7.617 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 7.475 21.236 -6.452 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 7.642 20.622 -8.026 1.00 1.79 H new ATOM 1483 N GLU B 24 3.294 15.774 -2.371 1.00 0.38 N ATOM 1484 CA GLU B 24 2.569 15.977 -1.120 1.00 0.46 C ATOM 1485 C GLU B 24 3.380 15.473 0.070 1.00 0.40 C ATOM 1486 O GLU B 24 2.899 15.457 1.203 1.00 0.44 O ATOM 1487 CB GLU B 24 1.207 15.283 -1.156 1.00 0.57 C ATOM 1488 CG GLU B 24 0.250 15.869 -2.182 1.00 0.85 C ATOM 1489 CD GLU B 24 -1.175 15.394 -1.986 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.834 15.871 -1.041 1.00 1.66 O ATOM 1491 OE2 GLU B 24 -1.645 14.546 -2.773 1.00 1.84 O ATOM 0 H GLU B 24 3.053 14.915 -2.866 1.00 0.38 H new ATOM 0 HA GLU B 24 2.410 17.049 -1.003 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.354 14.225 -1.372 1.00 0.57 H new ATOM 0 HB3 GLU B 24 0.750 15.346 -0.168 1.00 0.57 H new ATOM 0 HG2 GLU B 24 0.278 16.957 -2.120 1.00 0.85 H new ATOM 0 HG3 GLU B 24 0.585 15.598 -3.183 1.00 0.85 H new ATOM 1498 N ILE B 25 4.611 15.064 -0.195 1.00 0.36 N ATOM 1499 CA ILE B 25 5.509 14.612 0.852 1.00 0.33 C ATOM 1500 C ILE B 25 6.856 15.316 0.708 1.00 0.33 C ATOM 1501 O ILE B 25 7.268 15.658 -0.404 1.00 0.34 O ATOM 1502 CB ILE B 25 5.700 13.074 0.811 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.538 12.602 2.006 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.345 12.648 -0.502 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.688 11.098 2.099 1.00 0.28 C ATOM 0 H ILE B 25 5.011 15.037 -1.133 1.00 0.36 H new ATOM 0 HA ILE B 25 5.066 14.863 1.816 1.00 0.33 H new ATOM 0 HB ILE B 25 4.718 12.605 0.876 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.529 13.052 1.942 1.00 0.29 H new ATOM 0 HG13 ILE B 25 6.080 12.968 2.925 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.471 11.565 -0.511 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.708 12.947 -1.334 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.319 13.127 -0.601 1.00 0.26 H new ATOM 0 HD11 ILE B 25 7.293 10.846 2.970 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.704 10.640 2.196 1.00 0.28 H new ATOM 0 HD13 ILE B 25 7.175 10.725 1.198 1.00 0.28 H new ATOM 1517 N SER B 26 7.507 15.574 1.834 1.00 0.35 N ATOM 1518 CA SER B 26 8.805 16.231 1.847 1.00 0.38 C ATOM 1519 C SER B 26 9.833 15.451 1.026 1.00 0.34 C ATOM 1520 O SER B 26 9.724 14.229 0.898 1.00 0.31 O ATOM 1521 CB SER B 26 9.282 16.389 3.291 1.00 0.46 C ATOM 1522 OG SER B 26 8.277 16.997 4.086 1.00 1.47 O ATOM 0 H SER B 26 7.152 15.335 2.760 1.00 0.35 H new ATOM 0 HA SER B 26 8.700 17.215 1.390 1.00 0.38 H new ATOM 0 HB2 SER B 26 9.539 15.413 3.704 1.00 0.46 H new ATOM 0 HB3 SER B 26 10.188 16.994 3.316 1.00 0.46 H new ATOM 0 HG SER B 26 8.599 17.088 5.007 1.00 1.47 H new ATOM 1528 N GLU B 27 10.817 16.158 0.475 1.00 0.40 N ATOM 1529 CA GLU B 27 11.776 15.573 -0.468 1.00 0.45 C ATOM 1530 C GLU B 27 12.390 14.275 0.060 1.00 0.40 C ATOM 1531 O GLU B 27 12.411 13.263 -0.648 1.00 0.44 O ATOM 1532 CB GLU B 27 12.878 16.582 -0.791 1.00 0.69 C ATOM 1533 CG GLU B 27 12.359 17.841 -1.467 1.00 0.75 C ATOM 1534 CD GLU B 27 13.452 18.851 -1.743 1.00 1.21 C ATOM 1535 OE1 GLU B 27 13.771 19.651 -0.840 1.00 1.87 O ATOM 1536 OE2 GLU B 27 13.995 18.854 -2.869 1.00 1.70 O ATOM 0 H GLU B 27 10.974 17.147 0.666 1.00 0.40 H new ATOM 0 HA GLU B 27 11.228 15.327 -1.377 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.391 16.857 0.131 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.617 16.109 -1.438 1.00 0.69 H new ATOM 0 HG2 GLU B 27 11.875 17.571 -2.405 1.00 0.75 H new ATOM 0 HG3 GLU B 27 11.598 18.299 -0.836 1.00 0.75 H new ATOM 1543 N ASP B 28 12.850 14.303 1.310 1.00 0.38 N ATOM 1544 CA ASP B 28 13.473 13.134 1.935 1.00 0.39 C ATOM 1545 C ASP B 28 12.522 11.948 1.923 1.00 0.34 C ATOM 1546 O ASP B 28 12.917 10.818 1.627 1.00 0.38 O ATOM 1547 CB ASP B 28 13.886 13.440 3.378 1.00 0.46 C ATOM 1548 CG ASP B 28 15.032 14.424 3.470 1.00 1.00 C ATOM 1549 OD1 ASP B 28 16.195 14.007 3.281 1.00 1.84 O ATOM 1550 OD2 ASP B 28 14.781 15.616 3.741 1.00 1.64 O ATOM 0 H ASP B 28 12.803 15.125 1.913 1.00 0.38 H new ATOM 0 HA ASP B 28 14.363 12.886 1.357 1.00 0.39 H new ATOM 0 HB2 ASP B 28 13.028 13.839 3.919 1.00 0.46 H new ATOM 0 HB3 ASP B 28 14.171 12.512 3.873 1.00 0.46 H new ATOM 1555 N GLY B 29 11.263 12.222 2.228 1.00 0.30 N ATOM 1556 CA GLY B 29 10.259 11.184 2.238 1.00 0.30 C ATOM 1557 C GLY B 29 9.978 10.652 0.850 1.00 0.26 C ATOM 1558 O GLY B 29 9.831 9.445 0.666 1.00 0.24 O ATOM 0 H GLY B 29 10.919 13.151 2.470 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.589 10.367 2.879 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.338 11.575 2.669 1.00 0.30 H new ATOM 1562 N ALA B 30 9.905 11.552 -0.130 1.00 0.24 N ATOM 1563 CA ALA B 30 9.660 11.170 -1.517 1.00 0.23 C ATOM 1564 C ALA B 30 10.695 10.167 -2.015 1.00 0.22 C ATOM 1565 O ALA B 30 10.341 9.136 -2.589 1.00 0.21 O ATOM 1566 CB ALA B 30 9.653 12.404 -2.408 1.00 0.24 C ATOM 0 H ALA B 30 10.013 12.556 0.014 1.00 0.24 H new ATOM 0 HA ALA B 30 8.683 10.689 -1.562 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.469 12.106 -3.440 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.867 13.084 -2.081 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.618 12.906 -2.341 1.00 0.24 H new ATOM 1572 N ASP B 31 11.970 10.466 -1.791 1.00 0.24 N ATOM 1573 CA ASP B 31 13.045 9.559 -2.181 1.00 0.25 C ATOM 1574 C ASP B 31 12.900 8.218 -1.476 1.00 0.24 C ATOM 1575 O ASP B 31 13.110 7.162 -2.072 1.00 0.23 O ATOM 1576 CB ASP B 31 14.413 10.163 -1.866 1.00 0.31 C ATOM 1577 CG ASP B 31 14.848 11.197 -2.884 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.245 10.805 -4.002 1.00 1.34 O ATOM 1579 OD2 ASP B 31 14.817 12.404 -2.573 1.00 1.47 O ATOM 0 H ASP B 31 12.284 11.327 -1.343 1.00 0.24 H new ATOM 0 HA ASP B 31 12.972 9.403 -3.257 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.383 10.623 -0.878 1.00 0.31 H new ATOM 0 HB3 ASP B 31 15.156 9.366 -1.824 1.00 0.31 H new ATOM 1584 N SER B 32 12.514 8.272 -0.211 1.00 0.24 N ATOM 1585 CA SER B 32 12.323 7.072 0.584 1.00 0.24 C ATOM 1586 C SER B 32 11.159 6.239 0.032 1.00 0.20 C ATOM 1587 O SER B 32 11.158 5.012 0.127 1.00 0.23 O ATOM 1588 CB SER B 32 12.080 7.451 2.047 1.00 0.26 C ATOM 1589 OG SER B 32 12.214 6.332 2.905 1.00 0.92 O ATOM 0 H SER B 32 12.326 9.141 0.289 1.00 0.24 H new ATOM 0 HA SER B 32 13.225 6.463 0.528 1.00 0.24 H new ATOM 0 HB2 SER B 32 12.787 8.225 2.345 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.081 7.874 2.153 1.00 0.26 H new ATOM 0 HG SER B 32 11.325 6.006 3.159 1.00 0.92 H new ATOM 1595 N LEU B 33 10.175 6.906 -0.561 1.00 0.17 N ATOM 1596 CA LEU B 33 9.047 6.214 -1.176 1.00 0.15 C ATOM 1597 C LEU B 33 9.447 5.620 -2.520 1.00 0.14 C ATOM 1598 O LEU B 33 8.951 4.564 -2.917 1.00 0.13 O ATOM 1599 CB LEU B 33 7.861 7.161 -1.362 1.00 0.16 C ATOM 1600 CG LEU B 33 7.259 7.716 -0.073 1.00 0.18 C ATOM 1601 CD1 LEU B 33 6.104 8.652 -0.392 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.800 6.585 0.838 1.00 0.19 C ATOM 0 H LEU B 33 10.135 7.923 -0.629 1.00 0.17 H new ATOM 0 HA LEU B 33 8.749 5.407 -0.507 1.00 0.15 H new ATOM 0 HB2 LEU B 33 8.180 7.997 -1.984 1.00 0.16 H new ATOM 0 HB3 LEU B 33 7.080 6.635 -1.911 1.00 0.16 H new ATOM 0 HG LEU B 33 8.028 8.282 0.453 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.684 9.041 0.536 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.465 9.480 -1.002 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.334 8.107 -0.939 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.374 7.003 1.750 1.00 0.19 H new ATOM 0 HD22 LEU B 33 6.045 5.989 0.326 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.651 5.953 1.091 1.00 0.19 H new ATOM 1614 N ASN B 34 10.345 6.302 -3.219 1.00 0.15 N ATOM 1615 CA ASN B 34 10.835 5.821 -4.505 1.00 0.16 C ATOM 1616 C ASN B 34 11.577 4.505 -4.341 1.00 0.16 C ATOM 1617 O ASN B 34 11.304 3.539 -5.055 1.00 0.17 O ATOM 1618 CB ASN B 34 11.736 6.860 -5.178 1.00 0.18 C ATOM 1619 CG ASN B 34 10.946 7.871 -5.988 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.711 7.680 -7.181 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.524 8.951 -5.350 1.00 0.21 N ATOM 0 H ASN B 34 10.749 7.189 -2.918 1.00 0.15 H new ATOM 0 HA ASN B 34 9.970 5.655 -5.148 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.316 7.382 -4.417 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.448 6.353 -5.829 1.00 0.18 H new ATOM 0 HD21 ASN B 34 9.985 9.659 -5.848 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.738 9.075 -4.360 1.00 0.21 H new ATOM 1628 N VAL B 35 12.490 4.453 -3.376 1.00 0.18 N ATOM 1629 CA VAL B 35 13.236 3.228 -3.115 1.00 0.20 C ATOM 1630 C VAL B 35 12.313 2.151 -2.549 1.00 0.18 C ATOM 1631 O VAL B 35 12.527 0.960 -2.772 1.00 0.21 O ATOM 1632 CB VAL B 35 14.430 3.461 -2.158 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.398 4.475 -2.748 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.963 3.912 -0.784 1.00 0.23 C ATOM 0 H VAL B 35 12.729 5.236 -2.768 1.00 0.18 H new ATOM 0 HA VAL B 35 13.642 2.892 -4.069 1.00 0.20 H new ATOM 0 HB VAL B 35 14.948 2.509 -2.039 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.231 4.626 -2.061 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.776 4.105 -3.701 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.882 5.422 -2.905 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.828 4.066 -0.138 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.408 4.846 -0.877 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.318 3.148 -0.350 1.00 0.23 H new ATOM 1644 N ALA B 36 11.271 2.583 -1.837 1.00 0.17 N ATOM 1645 CA ALA B 36 10.273 1.664 -1.309 1.00 0.17 C ATOM 1646 C ALA B 36 9.533 0.970 -2.446 1.00 0.15 C ATOM 1647 O ALA B 36 9.421 -0.256 -2.464 1.00 0.16 O ATOM 1648 CB ALA B 36 9.288 2.395 -0.406 1.00 0.18 C ATOM 0 H ALA B 36 11.100 3.564 -1.615 1.00 0.17 H new ATOM 0 HA ALA B 36 10.788 0.909 -0.715 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.552 1.688 -0.023 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.825 2.847 0.428 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.781 3.174 -0.976 1.00 0.18 H new ATOM 1654 N MET B 37 9.041 1.761 -3.402 1.00 0.14 N ATOM 1655 CA MET B 37 8.342 1.232 -4.569 1.00 0.15 C ATOM 1656 C MET B 37 9.208 0.236 -5.329 1.00 0.15 C ATOM 1657 O MET B 37 8.710 -0.774 -5.830 1.00 0.18 O ATOM 1658 CB MET B 37 7.932 2.370 -5.502 1.00 0.16 C ATOM 1659 CG MET B 37 6.755 3.188 -4.999 1.00 0.16 C ATOM 1660 SD MET B 37 6.233 4.455 -6.173 1.00 0.21 S ATOM 1661 CE MET B 37 7.642 5.560 -6.149 1.00 0.19 C ATOM 0 H MET B 37 9.116 2.778 -3.387 1.00 0.14 H new ATOM 0 HA MET B 37 7.451 0.714 -4.214 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.786 3.032 -5.648 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.681 1.954 -6.478 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.917 2.522 -4.793 1.00 0.16 H new ATOM 0 HG3 MET B 37 7.025 3.662 -4.055 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.401 6.469 -6.700 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.887 5.815 -5.118 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.497 5.069 -6.614 1.00 0.19 H new ATOM 1671 N ASP B 38 10.499 0.532 -5.415 1.00 0.18 N ATOM 1672 CA ASP B 38 11.446 -0.357 -6.076 1.00 0.23 C ATOM 1673 C ASP B 38 11.468 -1.721 -5.396 1.00 0.19 C ATOM 1674 O ASP B 38 11.359 -2.754 -6.054 1.00 0.23 O ATOM 1675 CB ASP B 38 12.848 0.255 -6.073 1.00 0.34 C ATOM 1676 CG ASP B 38 13.891 -0.672 -6.666 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.944 -0.808 -7.907 1.00 1.42 O ATOM 1678 OD2 ASP B 38 14.677 -1.259 -5.892 1.00 1.68 O ATOM 0 H ASP B 38 10.915 1.382 -5.035 1.00 0.18 H new ATOM 0 HA ASP B 38 11.124 -0.489 -7.109 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.834 1.188 -6.637 1.00 0.34 H new ATOM 0 HB3 ASP B 38 13.129 0.505 -5.050 1.00 0.34 H new ATOM 1683 N CYS B 39 11.575 -1.714 -4.072 1.00 0.18 N ATOM 1684 CA CYS B 39 11.610 -2.948 -3.297 1.00 0.18 C ATOM 1685 C CYS B 39 10.289 -3.710 -3.407 1.00 0.16 C ATOM 1686 O CYS B 39 10.275 -4.941 -3.453 1.00 0.19 O ATOM 1687 CB CYS B 39 11.922 -2.640 -1.832 1.00 0.21 C ATOM 1688 SG CYS B 39 13.505 -1.804 -1.584 1.00 0.27 S ATOM 0 H CYS B 39 11.639 -0.864 -3.512 1.00 0.18 H new ATOM 0 HA CYS B 39 12.398 -3.581 -3.705 1.00 0.18 H new ATOM 0 HB2 CYS B 39 11.125 -2.018 -1.423 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.921 -3.572 -1.266 1.00 0.21 H new ATOM 0 HG CYS B 39 13.417 -0.576 -2.002 1.00 0.27 H new ATOM 1694 N ILE B 40 9.184 -2.978 -3.460 1.00 0.14 N ATOM 1695 CA ILE B 40 7.867 -3.592 -3.592 1.00 0.14 C ATOM 1696 C ILE B 40 7.733 -4.283 -4.948 1.00 0.16 C ATOM 1697 O ILE B 40 7.345 -5.451 -5.035 1.00 0.16 O ATOM 1698 CB ILE B 40 6.743 -2.542 -3.439 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.826 -1.878 -2.062 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.377 -3.186 -3.640 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.887 -0.703 -1.897 1.00 0.16 C ATOM 0 H ILE B 40 9.172 -1.959 -3.414 1.00 0.14 H new ATOM 0 HA ILE B 40 7.767 -4.330 -2.796 1.00 0.14 H new ATOM 0 HB ILE B 40 6.875 -1.777 -4.204 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.603 -2.621 -1.296 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.849 -1.542 -1.891 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.599 -2.431 -3.528 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.322 -3.619 -4.639 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.231 -3.970 -2.897 1.00 0.16 H new ATOM 0 HD11 ILE B 40 6.001 -0.283 -0.897 1.00 0.16 H new ATOM 0 HD12 ILE B 40 6.124 0.059 -2.640 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.859 -1.037 -2.035 1.00 0.16 H new ATOM 1713 N SER B 41 8.088 -3.557 -5.999 1.00 0.21 N ATOM 1714 CA SER B 41 8.004 -4.076 -7.355 1.00 0.28 C ATOM 1715 C SER B 41 8.963 -5.247 -7.545 1.00 0.30 C ATOM 1716 O SER B 41 8.629 -6.235 -8.198 1.00 0.34 O ATOM 1717 CB SER B 41 8.316 -2.961 -8.351 1.00 0.37 C ATOM 1718 OG SER B 41 7.525 -1.816 -8.081 1.00 1.13 O ATOM 0 H SER B 41 8.439 -2.601 -5.936 1.00 0.21 H new ATOM 0 HA SER B 41 6.992 -4.439 -7.532 1.00 0.28 H new ATOM 0 HB2 SER B 41 9.373 -2.701 -8.295 1.00 0.37 H new ATOM 0 HB3 SER B 41 8.127 -3.309 -9.366 1.00 0.37 H new ATOM 0 HG SER B 41 7.857 -1.372 -7.273 1.00 1.13 H new ATOM 1724 N GLU B 42 10.147 -5.131 -6.958 1.00 0.32 N ATOM 1725 CA GLU B 42 11.155 -6.183 -7.035 1.00 0.38 C ATOM 1726 C GLU B 42 10.703 -7.440 -6.286 1.00 0.32 C ATOM 1727 O GLU B 42 11.120 -8.551 -6.611 1.00 0.44 O ATOM 1728 CB GLU B 42 12.482 -5.683 -6.459 1.00 0.46 C ATOM 1729 CG GLU B 42 13.667 -6.576 -6.783 1.00 0.60 C ATOM 1730 CD GLU B 42 13.992 -6.593 -8.261 1.00 1.45 C ATOM 1731 OE1 GLU B 42 13.345 -7.349 -9.013 1.00 2.23 O ATOM 1732 OE2 GLU B 42 14.891 -5.839 -8.683 1.00 2.00 O ATOM 0 H GLU B 42 10.435 -4.314 -6.420 1.00 0.32 H new ATOM 0 HA GLU B 42 11.291 -6.442 -8.085 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.679 -4.681 -6.841 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.388 -5.598 -5.376 1.00 0.46 H new ATOM 0 HG2 GLU B 42 14.539 -6.233 -6.226 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.455 -7.592 -6.449 1.00 0.60 H new ATOM 1739 N ALA B 43 9.848 -7.261 -5.286 1.00 0.19 N ATOM 1740 CA ALA B 43 9.369 -8.379 -4.484 1.00 0.17 C ATOM 1741 C ALA B 43 8.395 -9.250 -5.269 1.00 0.17 C ATOM 1742 O ALA B 43 8.553 -10.469 -5.333 1.00 0.25 O ATOM 1743 CB ALA B 43 8.707 -7.880 -3.208 1.00 0.20 C ATOM 0 H ALA B 43 9.473 -6.353 -5.012 1.00 0.19 H new ATOM 0 HA ALA B 43 10.234 -8.987 -4.221 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.356 -8.731 -2.623 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.429 -7.310 -2.623 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.861 -7.241 -3.463 1.00 0.20 H new ATOM 1749 N PHE B 44 7.388 -8.625 -5.864 1.00 0.19 N ATOM 1750 CA PHE B 44 6.348 -9.375 -6.565 1.00 0.25 C ATOM 1751 C PHE B 44 6.657 -9.522 -8.052 1.00 0.30 C ATOM 1752 O PHE B 44 5.960 -10.237 -8.775 1.00 0.35 O ATOM 1753 CB PHE B 44 4.981 -8.717 -6.369 1.00 0.27 C ATOM 1754 CG PHE B 44 4.552 -8.652 -4.934 1.00 0.26 C ATOM 1755 CD1 PHE B 44 4.203 -9.804 -4.252 1.00 1.15 C ATOM 1756 CD2 PHE B 44 4.502 -7.440 -4.264 1.00 1.10 C ATOM 1757 CE1 PHE B 44 3.813 -9.750 -2.930 1.00 1.15 C ATOM 1758 CE2 PHE B 44 4.111 -7.380 -2.941 1.00 1.12 C ATOM 1759 CZ PHE B 44 3.766 -8.538 -2.273 1.00 0.31 C ATOM 0 H PHE B 44 7.267 -7.612 -5.877 1.00 0.19 H new ATOM 0 HA PHE B 44 6.324 -10.375 -6.132 1.00 0.25 H new ATOM 0 HB2 PHE B 44 5.010 -7.707 -6.778 1.00 0.27 H new ATOM 0 HB3 PHE B 44 4.235 -9.270 -6.939 1.00 0.27 H new ATOM 0 HD1 PHE B 44 4.236 -10.756 -4.760 1.00 1.15 H new ATOM 0 HD2 PHE B 44 4.772 -6.532 -4.783 1.00 1.10 H new ATOM 0 HE1 PHE B 44 3.544 -10.657 -2.409 1.00 1.15 H new ATOM 0 HE2 PHE B 44 4.075 -6.429 -2.430 1.00 1.12 H new ATOM 0 HZ PHE B 44 3.460 -8.495 -1.238 1.00 0.31 H new ATOM 1769 N GLY B 45 7.708 -8.840 -8.494 1.00 0.29 N ATOM 1770 CA GLY B 45 8.148 -8.934 -9.875 1.00 0.35 C ATOM 1771 C GLY B 45 7.144 -8.368 -10.857 1.00 0.37 C ATOM 1772 O GLY B 45 6.749 -9.044 -11.802 1.00 0.43 O ATOM 0 H GLY B 45 8.269 -8.217 -7.913 1.00 0.29 H new ATOM 0 HA2 GLY B 45 9.094 -8.404 -9.986 1.00 0.35 H new ATOM 0 HA3 GLY B 45 8.337 -9.979 -10.120 1.00 0.35 H new ATOM 1776 N PHE B 46 6.737 -7.126 -10.648 1.00 0.36 N ATOM 1777 CA PHE B 46 5.756 -6.495 -11.523 1.00 0.39 C ATOM 1778 C PHE B 46 6.169 -5.065 -11.841 1.00 0.39 C ATOM 1779 O PHE B 46 7.049 -4.506 -11.186 1.00 0.40 O ATOM 1780 CB PHE B 46 4.361 -6.517 -10.880 1.00 0.36 C ATOM 1781 CG PHE B 46 4.203 -5.597 -9.697 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.785 -5.900 -8.478 1.00 1.27 C ATOM 1783 CD2 PHE B 46 3.457 -4.434 -9.806 1.00 1.17 C ATOM 1784 CE1 PHE B 46 4.629 -5.062 -7.391 1.00 1.26 C ATOM 1785 CE2 PHE B 46 3.299 -3.589 -8.724 1.00 1.17 C ATOM 1786 CZ PHE B 46 3.886 -3.904 -7.514 1.00 0.21 C ATOM 0 H PHE B 46 7.067 -6.536 -9.885 1.00 0.36 H new ATOM 0 HA PHE B 46 5.715 -7.061 -12.454 1.00 0.39 H new ATOM 0 HB2 PHE B 46 3.623 -6.247 -11.635 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.136 -7.536 -10.564 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.368 -6.803 -8.376 1.00 1.27 H new ATOM 0 HD2 PHE B 46 2.993 -4.185 -10.749 1.00 1.17 H new ATOM 0 HE1 PHE B 46 5.088 -5.312 -6.446 1.00 1.26 H new ATOM 0 HE2 PHE B 46 2.718 -2.684 -8.824 1.00 1.17 H new ATOM 0 HZ PHE B 46 3.764 -3.246 -6.666 1.00 0.21 H new ATOM 1796 N GLU B 47 5.523 -4.478 -12.839 1.00 0.41 N ATOM 1797 CA GLU B 47 5.817 -3.117 -13.261 1.00 0.44 C ATOM 1798 C GLU B 47 4.837 -2.154 -12.610 1.00 0.40 C ATOM 1799 O GLU B 47 3.673 -2.493 -12.398 1.00 0.39 O ATOM 1800 CB GLU B 47 5.711 -3.000 -14.785 1.00 0.53 C ATOM 1801 CG GLU B 47 6.833 -3.694 -15.537 1.00 0.59 C ATOM 1802 CD GLU B 47 8.196 -3.145 -15.172 1.00 1.14 C ATOM 1803 OE1 GLU B 47 8.502 -1.993 -15.552 1.00 1.55 O ATOM 1804 OE2 GLU B 47 8.964 -3.858 -14.495 1.00 1.92 O ATOM 0 H GLU B 47 4.783 -4.930 -13.377 1.00 0.41 H new ATOM 0 HA GLU B 47 6.833 -2.867 -12.954 1.00 0.44 H new ATOM 0 HB2 GLU B 47 4.758 -3.420 -15.106 1.00 0.53 H new ATOM 0 HB3 GLU B 47 5.702 -1.945 -15.058 1.00 0.53 H new ATOM 0 HG2 GLU B 47 6.805 -4.762 -15.322 1.00 0.59 H new ATOM 0 HG3 GLU B 47 6.673 -3.580 -16.609 1.00 0.59 H new ATOM 1811 N ARG B 48 5.300 -0.946 -12.321 1.00 0.41 N ATOM 1812 CA ARG B 48 4.478 0.043 -11.642 1.00 0.40 C ATOM 1813 C ARG B 48 3.553 0.725 -12.636 1.00 0.41 C ATOM 1814 O ARG B 48 2.560 1.338 -12.257 1.00 0.43 O ATOM 1815 CB ARG B 48 5.353 1.078 -10.939 1.00 0.44 C ATOM 1816 CG ARG B 48 6.136 0.510 -9.770 1.00 0.61 C ATOM 1817 CD ARG B 48 7.055 1.552 -9.160 1.00 0.91 C ATOM 1818 NE ARG B 48 8.106 1.963 -10.087 1.00 1.19 N ATOM 1819 CZ ARG B 48 8.640 3.182 -10.120 1.00 1.88 C ATOM 1820 NH1 ARG B 48 8.188 4.136 -9.312 1.00 2.57 N ATOM 1821 NH2 ARG B 48 9.616 3.455 -10.977 1.00 2.20 N ATOM 0 H ARG B 48 6.242 -0.628 -12.547 1.00 0.41 H new ATOM 0 HA ARG B 48 3.875 -0.466 -10.890 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.050 1.504 -11.661 1.00 0.44 H new ATOM 0 HB3 ARG B 48 4.724 1.894 -10.583 1.00 0.44 H new ATOM 0 HG2 ARG B 48 5.445 0.143 -9.011 1.00 0.61 H new ATOM 0 HG3 ARG B 48 6.724 -0.344 -10.105 1.00 0.61 H new ATOM 0 HD2 ARG B 48 6.470 2.423 -8.865 1.00 0.91 H new ATOM 0 HD3 ARG B 48 7.508 1.150 -8.253 1.00 0.91 H new ATOM 0 HE ARG B 48 8.453 1.272 -10.752 1.00 1.19 H new ATOM 0 HH11 ARG B 48 7.428 3.936 -8.662 1.00 2.57 H new ATOM 0 HH12 ARG B 48 8.601 5.068 -9.342 1.00 2.57 H new ATOM 0 HH21 ARG B 48 9.956 2.731 -11.610 1.00 2.20 H new ATOM 0 HH22 ARG B 48 10.026 4.389 -11.003 1.00 2.20 H new ATOM 1835 N GLU B 49 3.892 0.617 -13.914 1.00 0.42 N ATOM 1836 CA GLU B 49 3.078 1.198 -14.972 1.00 0.46 C ATOM 1837 C GLU B 49 1.953 0.247 -15.360 1.00 0.43 C ATOM 1838 O GLU B 49 1.086 0.584 -16.165 1.00 0.46 O ATOM 1839 CB GLU B 49 3.940 1.520 -16.193 1.00 0.57 C ATOM 1840 CG GLU B 49 5.060 2.502 -15.899 1.00 1.14 C ATOM 1841 CD GLU B 49 4.550 3.810 -15.331 1.00 1.54 C ATOM 1842 OE1 GLU B 49 4.133 4.681 -16.120 1.00 2.24 O ATOM 1843 OE2 GLU B 49 4.569 3.976 -14.094 1.00 2.04 O ATOM 0 H GLU B 49 4.727 0.131 -14.243 1.00 0.42 H new ATOM 0 HA GLU B 49 2.640 2.124 -14.600 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.369 0.596 -16.579 1.00 0.57 H new ATOM 0 HB3 GLU B 49 3.305 1.929 -16.979 1.00 0.57 H new ATOM 0 HG2 GLU B 49 5.758 2.051 -15.194 1.00 1.14 H new ATOM 0 HG3 GLU B 49 5.616 2.700 -16.816 1.00 1.14 H new ATOM 1850 N ALA B 50 1.968 -0.938 -14.768 1.00 0.41 N ATOM 1851 CA ALA B 50 0.962 -1.947 -15.055 1.00 0.42 C ATOM 1852 C ALA B 50 -0.189 -1.858 -14.063 1.00 0.37 C ATOM 1853 O ALA B 50 -1.139 -2.638 -14.131 1.00 0.41 O ATOM 1854 CB ALA B 50 1.585 -3.336 -15.022 1.00 0.48 C ATOM 0 H ALA B 50 2.669 -1.224 -14.084 1.00 0.41 H new ATOM 0 HA ALA B 50 0.566 -1.764 -16.054 1.00 0.42 H new ATOM 0 HB1 ALA B 50 0.821 -4.083 -15.239 1.00 0.48 H new ATOM 0 HB2 ALA B 50 2.375 -3.398 -15.770 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.005 -3.523 -14.034 1.00 0.48 H new ATOM 1860 N VAL B 51 -0.100 -0.897 -13.145 1.00 0.33 N ATOM 1861 CA VAL B 51 -1.117 -0.723 -12.110 1.00 0.31 C ATOM 1862 C VAL B 51 -2.511 -0.567 -12.705 1.00 0.36 C ATOM 1863 O VAL B 51 -3.466 -1.118 -12.178 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.819 0.479 -11.185 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.402 0.200 -10.327 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.627 1.762 -11.984 1.00 0.33 C ATOM 0 H VAL B 51 0.667 -0.226 -13.097 1.00 0.33 H new ATOM 0 HA VAL B 51 -1.086 -1.633 -11.511 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.681 0.619 -10.533 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.597 1.057 -9.682 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.221 -0.682 -9.713 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.265 0.025 -10.969 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.419 2.587 -11.303 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.209 1.640 -12.672 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.534 1.978 -12.549 1.00 0.33 H new ATOM 1876 N SER B 52 -2.617 0.159 -13.810 1.00 0.37 N ATOM 1877 CA SER B 52 -3.901 0.382 -14.460 1.00 0.45 C ATOM 1878 C SER B 52 -4.567 -0.946 -14.822 1.00 0.47 C ATOM 1879 O SER B 52 -5.692 -1.227 -14.397 1.00 0.50 O ATOM 1880 CB SER B 52 -3.689 1.245 -15.705 1.00 0.53 C ATOM 1881 OG SER B 52 -2.489 0.879 -16.371 1.00 1.25 O ATOM 0 H SER B 52 -1.827 0.605 -14.276 1.00 0.37 H new ATOM 0 HA SER B 52 -4.567 0.903 -13.772 1.00 0.45 H new ATOM 0 HB2 SER B 52 -4.536 1.130 -16.382 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.647 2.297 -15.422 1.00 0.53 H new ATOM 0 HG SER B 52 -2.371 1.441 -17.165 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.855 -1.754 -15.600 1.00 0.50 N ATOM 1888 CA GLY B 53 -4.327 -3.084 -15.951 1.00 0.57 C ATOM 1889 C GLY B 53 -4.700 -3.928 -14.743 1.00 0.54 C ATOM 1890 O GLY B 53 -5.679 -4.677 -14.783 1.00 0.59 O ATOM 0 H GLY B 53 -2.949 -1.509 -15.999 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -5.195 -2.993 -16.604 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -3.552 -3.598 -16.520 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.933 -3.811 -13.665 1.00 0.50 N ATOM 1895 CA ILE B 54 -4.190 -4.593 -12.458 1.00 0.51 C ATOM 1896 C ILE B 54 -5.403 -4.053 -11.701 1.00 0.50 C ATOM 1897 O ILE B 54 -6.267 -4.815 -11.276 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.969 -4.603 -11.510 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -1.724 -5.098 -12.250 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -3.252 -5.485 -10.297 1.00 0.55 C ATOM 1901 CD1 ILE B 54 -0.446 -4.959 -11.453 1.00 0.48 C ATOM 0 H ILE B 54 -3.130 -3.185 -13.600 1.00 0.50 H new ATOM 0 HA ILE B 54 -4.389 -5.614 -12.785 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.785 -3.585 -11.166 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.863 -6.146 -12.516 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -1.622 -4.543 -13.183 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -2.385 -5.484 -9.636 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -4.118 -5.098 -9.760 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -3.456 -6.504 -10.627 1.00 0.55 H new ATOM 0 HD11 ILE B 54 0.392 -5.330 -12.042 1.00 0.48 H new ATOM 0 HD12 ILE B 54 -0.282 -3.909 -11.209 1.00 0.48 H new ATOM 0 HD13 ILE B 54 -0.527 -5.537 -10.532 1.00 0.48 H new ATOM 1913 N LEU B 55 -5.458 -2.738 -11.540 1.00 0.46 N ATOM 1914 CA LEU B 55 -6.552 -2.095 -10.814 1.00 0.48 C ATOM 1915 C LEU B 55 -7.893 -2.353 -11.492 1.00 0.55 C ATOM 1916 O LEU B 55 -8.887 -2.620 -10.821 1.00 0.65 O ATOM 1917 CB LEU B 55 -6.308 -0.588 -10.663 1.00 0.48 C ATOM 1918 CG LEU B 55 -5.019 -0.214 -9.922 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -5.008 1.264 -9.561 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.839 -1.073 -8.681 1.00 0.45 C ATOM 0 H LEU B 55 -4.757 -2.091 -11.902 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.585 -2.536 -9.818 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -6.283 -0.137 -11.655 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -7.154 -0.149 -10.135 1.00 0.48 H new ATOM 0 HG LEU B 55 -4.180 -0.404 -10.591 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -4.083 1.503 -9.036 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -5.074 1.861 -10.470 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.859 1.488 -8.917 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.918 -0.789 -8.172 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.685 -0.924 -8.010 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.785 -2.123 -8.970 1.00 0.45 H new