USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=24 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+ -166:sc= 1.07 (180deg=0.713) USER MOD Single : A 14 ASN : amide:sc=-0.00842 K(o=-0.0084,f=-1) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.114 USER MOD Single : A 17 SER OG : rot 83:sc= 1.25 USER MOD Single : A 18 SER OG : rot 180:sc= -2.02! USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.931) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.0778 (180deg=-0.313) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -126:sc= 1.27 USER MOD Single : A 34 ASN : amide:sc= 1.15 K(o=1.1,f=-0.078) USER MOD Single : A 37 MET CE :methyl -177:sc= -1.52 (180deg=-1.6) USER MOD Single : A 39 CYS SG : rot 79:sc= 0.864 USER MOD Single : A 41 SER OG : rot 76:sc= 0.791 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0147 USER MOD Single : B 5 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.86) USER MOD Single : B 14 ASN : amide:sc=-0.00715 K(o=-0.0071,f=-1.1) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.0797 USER MOD Single : B 17 SER OG : rot 64:sc= 1.22 USER MOD Single : B 18 SER OG : rot 180:sc= -2.01! USER MOD Single : B 22 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.93) USER MOD Single : B 23 LYS NZ :NH3+ 165:sc= -0.0289 (180deg=-0.327) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot -105:sc= 1.25 USER MOD Single : B 34 ASN : amide:sc= 1.2 K(o=1.2,f=-0.068) USER MOD Single : B 37 MET CE :methyl -179:sc= -1.53 (180deg=-1.6) USER MOD Single : B 39 CYS SG : rot 72:sc= 0.973 USER MOD Single : B 41 SER OG : rot 76:sc= 0.785 USER MOD Single : B 52 SER OG : rot 180:sc= 0.0143 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.421 10.086 3.339 1.00 0.41 N ATOM 75 CA LYS A 5 -1.265 9.236 3.068 1.00 0.36 C ATOM 76 C LYS A 5 -0.765 8.524 4.324 1.00 0.27 C ATOM 77 O LYS A 5 -0.211 7.431 4.237 1.00 0.25 O ATOM 78 CB LYS A 5 -0.153 10.077 2.431 1.00 0.42 C ATOM 79 CG LYS A 5 0.066 11.417 3.118 1.00 0.41 C ATOM 80 CD LYS A 5 0.916 12.353 2.282 1.00 0.53 C ATOM 81 CE LYS A 5 0.852 13.777 2.811 1.00 0.73 C ATOM 82 NZ LYS A 5 -0.502 14.376 2.647 1.00 1.14 N ATOM 0 HA LYS A 5 -1.572 8.455 2.372 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.778 9.510 2.453 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -0.395 10.251 1.383 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.899 11.884 3.317 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.547 11.255 4.083 1.00 0.41 H new ATOM 0 HD2 LYS A 5 1.950 12.008 2.284 1.00 0.53 H new ATOM 0 HD3 LYS A 5 0.575 12.331 1.247 1.00 0.53 H new ATOM 0 HE2 LYS A 5 1.125 13.784 3.866 1.00 0.73 H new ATOM 0 HE3 LYS A 5 1.585 14.391 2.288 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 -0.447 15.404 2.795 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -0.853 14.183 1.687 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 -1.152 13.960 3.344 1.00 1.14 H new ATOM 96 N GLU A 6 -0.959 9.149 5.483 1.00 0.30 N ATOM 97 CA GLU A 6 -0.646 8.521 6.765 1.00 0.36 C ATOM 98 C GLU A 6 -1.479 7.252 6.972 1.00 0.38 C ATOM 99 O GLU A 6 -0.938 6.163 7.173 1.00 0.41 O ATOM 100 CB GLU A 6 -0.916 9.505 7.906 1.00 0.49 C ATOM 101 CG GLU A 6 -0.687 8.917 9.289 1.00 0.99 C ATOM 102 CD GLU A 6 -1.181 9.826 10.394 1.00 1.46 C ATOM 103 OE1 GLU A 6 -2.374 9.735 10.757 1.00 2.00 O ATOM 104 OE2 GLU A 6 -0.379 10.635 10.910 1.00 2.11 O ATOM 0 H GLU A 6 -1.333 10.095 5.561 1.00 0.30 H new ATOM 0 HA GLU A 6 0.409 8.245 6.761 1.00 0.36 H new ATOM 0 HB2 GLU A 6 -0.274 10.377 7.781 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -1.946 9.855 7.836 1.00 0.49 H new ATOM 0 HG2 GLU A 6 -1.195 7.955 9.360 1.00 0.99 H new ATOM 0 HG3 GLU A 6 0.377 8.727 9.428 1.00 0.99 H new ATOM 111 N GLU A 7 -2.799 7.416 6.912 1.00 0.41 N ATOM 112 CA GLU A 7 -3.737 6.312 7.116 1.00 0.48 C ATOM 113 C GLU A 7 -3.479 5.190 6.122 1.00 0.40 C ATOM 114 O GLU A 7 -3.455 4.011 6.484 1.00 0.40 O ATOM 115 CB GLU A 7 -5.175 6.809 6.963 1.00 0.61 C ATOM 116 CG GLU A 7 -5.546 7.912 7.937 1.00 0.75 C ATOM 117 CD GLU A 7 -6.820 8.629 7.537 1.00 0.95 C ATOM 118 OE1 GLU A 7 -6.875 9.166 6.412 1.00 1.68 O ATOM 119 OE2 GLU A 7 -7.767 8.671 8.344 1.00 1.25 O ATOM 0 H GLU A 7 -3.247 8.312 6.722 1.00 0.41 H new ATOM 0 HA GLU A 7 -3.591 5.926 8.125 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.318 7.172 5.945 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -5.857 5.970 7.101 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -5.668 7.488 8.933 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -4.730 8.632 7.995 1.00 0.75 H new ATOM 126 N ILE A 8 -3.274 5.571 4.870 1.00 0.37 N ATOM 127 CA ILE A 8 -3.039 4.608 3.807 1.00 0.36 C ATOM 128 C ILE A 8 -1.741 3.842 4.048 1.00 0.27 C ATOM 129 O ILE A 8 -1.720 2.616 3.969 1.00 0.25 O ATOM 130 CB ILE A 8 -2.995 5.292 2.422 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.305 6.041 2.146 1.00 0.54 C ATOM 132 CG2 ILE A 8 -2.733 4.268 1.327 1.00 0.42 C ATOM 133 CD1 ILE A 8 -5.515 5.140 2.015 1.00 0.96 C ATOM 0 H ILE A 8 -3.266 6.544 4.566 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.873 3.906 3.815 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.178 6.013 2.426 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -4.481 6.753 2.952 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.194 6.619 1.229 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -2.706 4.769 0.359 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -1.777 3.777 1.509 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.529 3.523 1.328 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -6.400 5.746 1.821 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -5.363 4.444 1.190 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -5.654 4.581 2.940 1.00 0.96 H new ATOM 145 N ALA A 9 -0.666 4.567 4.361 1.00 0.25 N ATOM 146 CA ALA A 9 0.636 3.951 4.617 1.00 0.20 C ATOM 147 C ALA A 9 0.555 2.891 5.712 1.00 0.19 C ATOM 148 O ALA A 9 1.155 1.821 5.595 1.00 0.16 O ATOM 149 CB ALA A 9 1.659 5.011 4.991 1.00 0.21 C ATOM 0 H ALA A 9 -0.672 5.584 4.443 1.00 0.25 H new ATOM 0 HA ALA A 9 0.951 3.457 3.698 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.622 4.537 5.178 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.759 5.725 4.173 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.330 5.533 5.890 1.00 0.21 H new ATOM 155 N ALA A 10 -0.195 3.190 6.769 1.00 0.24 N ATOM 156 CA ALA A 10 -0.381 2.248 7.866 1.00 0.25 C ATOM 157 C ALA A 10 -1.042 0.967 7.372 1.00 0.24 C ATOM 158 O ALA A 10 -0.609 -0.138 7.699 1.00 0.22 O ATOM 159 CB ALA A 10 -1.215 2.879 8.968 1.00 0.33 C ATOM 0 H ALA A 10 -0.683 4.078 6.888 1.00 0.24 H new ATOM 0 HA ALA A 10 0.600 1.995 8.269 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.346 2.164 9.780 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.708 3.767 9.345 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.191 3.159 8.571 1.00 0.33 H new ATOM 165 N LEU A 11 -2.087 1.127 6.574 1.00 0.27 N ATOM 166 CA LEU A 11 -2.802 -0.006 6.003 1.00 0.30 C ATOM 167 C LEU A 11 -1.858 -0.798 5.099 1.00 0.26 C ATOM 168 O LEU A 11 -1.838 -2.031 5.118 1.00 0.29 O ATOM 169 CB LEU A 11 -4.025 0.513 5.218 1.00 0.38 C ATOM 170 CG LEU A 11 -5.108 -0.514 4.837 1.00 0.75 C ATOM 171 CD1 LEU A 11 -4.648 -1.420 3.705 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.518 -1.337 6.049 1.00 0.63 C ATOM 0 H LEU A 11 -2.461 2.037 6.305 1.00 0.27 H new ATOM 0 HA LEU A 11 -3.154 -0.670 6.792 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -4.497 1.297 5.809 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -3.664 0.979 4.301 1.00 0.38 H new ATOM 0 HG LEU A 11 -5.977 0.041 4.483 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -5.438 -2.131 3.464 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -4.422 -0.817 2.826 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -3.754 -1.962 4.013 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.284 -2.056 5.758 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -4.650 -1.869 6.438 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.915 -0.676 6.820 1.00 0.63 H new ATOM 184 N ILE A 12 -1.061 -0.064 4.337 1.00 0.21 N ATOM 185 CA ILE A 12 -0.104 -0.641 3.404 1.00 0.20 C ATOM 186 C ILE A 12 0.919 -1.534 4.105 1.00 0.18 C ATOM 187 O ILE A 12 1.059 -2.711 3.764 1.00 0.20 O ATOM 188 CB ILE A 12 0.624 0.478 2.627 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.354 1.157 1.665 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.832 -0.068 1.882 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.225 2.354 0.945 1.00 0.25 C ATOM 0 H ILE A 12 -1.060 0.956 4.349 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.666 -1.265 2.710 1.00 0.20 H new ATOM 0 HB ILE A 12 0.989 1.218 3.339 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.687 0.428 0.927 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.236 1.472 2.222 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.325 0.742 1.344 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.530 -0.508 2.594 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.508 -0.830 1.173 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.529 2.780 0.282 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.532 3.104 1.674 1.00 0.25 H new ATOM 0 HD13 ILE A 12 1.090 2.043 0.359 1.00 0.25 H new ATOM 203 N VAL A 13 1.626 -0.985 5.086 1.00 0.16 N ATOM 204 CA VAL A 13 2.676 -1.738 5.758 1.00 0.16 C ATOM 205 C VAL A 13 2.096 -2.909 6.547 1.00 0.16 C ATOM 206 O VAL A 13 2.682 -3.990 6.585 1.00 0.18 O ATOM 207 CB VAL A 13 3.545 -0.849 6.682 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.282 0.203 5.869 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.710 -0.188 7.767 1.00 0.14 C ATOM 0 H VAL A 13 1.494 -0.034 5.430 1.00 0.16 H new ATOM 0 HA VAL A 13 3.325 -2.127 4.974 1.00 0.16 H new ATOM 0 HB VAL A 13 4.275 -1.495 7.170 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.888 0.819 6.534 1.00 0.16 H new ATOM 0 HG12 VAL A 13 4.928 -0.287 5.140 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.560 0.833 5.349 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.353 0.428 8.396 1.00 0.14 H new ATOM 0 HG22 VAL A 13 1.945 0.438 7.307 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.233 -0.955 8.377 1.00 0.14 H new ATOM 219 N ASN A 14 0.933 -2.701 7.158 1.00 0.18 N ATOM 220 CA ASN A 14 0.270 -3.770 7.901 1.00 0.21 C ATOM 221 C ASN A 14 -0.101 -4.919 6.966 1.00 0.19 C ATOM 222 O ASN A 14 -0.077 -6.086 7.358 1.00 0.20 O ATOM 223 CB ASN A 14 -0.980 -3.257 8.620 1.00 0.30 C ATOM 224 CG ASN A 14 -1.517 -4.264 9.624 1.00 0.42 C ATOM 225 OD1 ASN A 14 -0.764 -5.054 10.194 1.00 0.45 O ATOM 226 ND2 ASN A 14 -2.819 -4.248 9.849 1.00 0.57 N ATOM 0 H ASN A 14 0.434 -1.812 7.154 1.00 0.18 H new ATOM 0 HA ASN A 14 0.970 -4.133 8.653 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.745 -2.324 9.133 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.753 -3.031 7.885 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.230 -4.904 10.513 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.413 -3.579 9.359 1.00 0.57 H new ATOM 233 N TYR A 15 -0.431 -4.582 5.722 1.00 0.22 N ATOM 234 CA TYR A 15 -0.768 -5.593 4.728 1.00 0.24 C ATOM 235 C TYR A 15 0.444 -6.464 4.420 1.00 0.22 C ATOM 236 O TYR A 15 0.360 -7.690 4.456 1.00 0.23 O ATOM 237 CB TYR A 15 -1.299 -4.959 3.439 1.00 0.30 C ATOM 238 CG TYR A 15 -1.763 -5.985 2.427 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.985 -6.627 2.578 1.00 1.19 C ATOM 240 CD2 TYR A 15 -0.976 -6.322 1.332 1.00 1.30 C ATOM 241 CE1 TYR A 15 -3.412 -7.574 1.669 1.00 1.21 C ATOM 242 CE2 TYR A 15 -1.399 -7.267 0.416 1.00 1.40 C ATOM 243 CZ TYR A 15 -2.616 -7.892 0.593 1.00 0.65 C ATOM 244 OH TYR A 15 -3.040 -8.836 -0.311 1.00 0.80 O ATOM 0 H TYR A 15 -0.472 -3.622 5.381 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.558 -6.216 5.148 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -2.128 -4.294 3.682 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.517 -4.344 2.993 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.613 -6.381 3.422 1.00 1.19 H new ATOM 0 HD2 TYR A 15 -0.020 -5.839 1.195 1.00 1.30 H new ATOM 0 HE1 TYR A 15 -4.366 -8.063 1.802 1.00 1.21 H new ATOM 0 HE2 TYR A 15 -0.780 -7.515 -0.434 1.00 1.40 H new ATOM 0 HH TYR A 15 -4.019 -8.831 -0.354 1.00 0.80 H new ATOM 254 N PHE A 16 1.580 -5.833 4.132 1.00 0.20 N ATOM 255 CA PHE A 16 2.799 -6.578 3.836 1.00 0.21 C ATOM 256 C PHE A 16 3.266 -7.355 5.059 1.00 0.20 C ATOM 257 O PHE A 16 3.802 -8.458 4.935 1.00 0.20 O ATOM 258 CB PHE A 16 3.916 -5.654 3.346 1.00 0.20 C ATOM 259 CG PHE A 16 3.661 -5.049 1.993 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.308 -5.849 0.916 1.00 1.04 C ATOM 261 CD2 PHE A 16 3.780 -3.682 1.794 1.00 0.91 C ATOM 262 CE1 PHE A 16 3.078 -5.298 -0.328 1.00 1.05 C ATOM 263 CE2 PHE A 16 3.553 -3.129 0.551 1.00 0.91 C ATOM 264 CZ PHE A 16 3.201 -3.937 -0.510 1.00 0.23 C ATOM 0 H PHE A 16 1.681 -4.819 4.098 1.00 0.20 H new ATOM 0 HA PHE A 16 2.565 -7.281 3.037 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.054 -4.852 4.071 1.00 0.20 H new ATOM 0 HB3 PHE A 16 4.849 -6.216 3.311 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.212 -6.916 1.053 1.00 1.04 H new ATOM 0 HD2 PHE A 16 4.053 -3.043 2.621 1.00 0.91 H new ATOM 0 HE1 PHE A 16 2.802 -5.932 -1.158 1.00 1.05 H new ATOM 0 HE2 PHE A 16 3.651 -2.063 0.408 1.00 0.91 H new ATOM 0 HZ PHE A 16 3.022 -3.504 -1.483 1.00 0.23 H new ATOM 274 N SER A 17 3.041 -6.787 6.239 1.00 0.19 N ATOM 275 CA SER A 17 3.361 -7.466 7.485 1.00 0.20 C ATOM 276 C SER A 17 2.523 -8.736 7.619 1.00 0.21 C ATOM 277 O SER A 17 2.972 -9.734 8.183 1.00 0.24 O ATOM 278 CB SER A 17 3.117 -6.538 8.678 1.00 0.21 C ATOM 279 OG SER A 17 3.916 -5.369 8.584 1.00 0.90 O ATOM 0 H SER A 17 2.638 -5.857 6.357 1.00 0.19 H new ATOM 0 HA SER A 17 4.416 -7.740 7.473 1.00 0.20 H new ATOM 0 HB2 SER A 17 2.064 -6.261 8.718 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.344 -7.064 9.605 1.00 0.21 H new ATOM 0 HG SER A 17 3.475 -4.718 7.999 1.00 0.90 H new ATOM 285 N SER A 18 1.313 -8.695 7.073 1.00 0.24 N ATOM 286 CA SER A 18 0.424 -9.844 7.074 1.00 0.25 C ATOM 287 C SER A 18 0.868 -10.857 6.016 1.00 0.25 C ATOM 288 O SER A 18 0.832 -12.067 6.242 1.00 0.29 O ATOM 289 CB SER A 18 -1.016 -9.384 6.813 1.00 0.26 C ATOM 290 OG SER A 18 -1.947 -10.432 7.017 1.00 0.84 O ATOM 0 H SER A 18 0.925 -7.868 6.620 1.00 0.24 H new ATOM 0 HA SER A 18 0.465 -10.329 8.049 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.257 -8.550 7.473 1.00 0.26 H new ATOM 0 HB3 SER A 18 -1.101 -9.016 5.790 1.00 0.26 H new ATOM 0 HG SER A 18 -2.854 -10.103 6.843 1.00 0.84 H new ATOM 296 N ILE A 19 1.313 -10.352 4.867 1.00 0.23 N ATOM 297 CA ILE A 19 1.781 -11.206 3.779 1.00 0.24 C ATOM 298 C ILE A 19 2.994 -12.026 4.210 1.00 0.25 C ATOM 299 O ILE A 19 3.071 -13.225 3.936 1.00 0.28 O ATOM 300 CB ILE A 19 2.140 -10.381 2.518 1.00 0.24 C ATOM 301 CG1 ILE A 19 0.903 -9.645 1.993 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.731 -11.270 1.429 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.252 -10.560 1.638 1.00 0.28 C ATOM 0 H ILE A 19 1.359 -9.353 4.666 1.00 0.23 H new ATOM 0 HA ILE A 19 0.961 -11.880 3.531 1.00 0.24 H new ATOM 0 HB ILE A 19 2.894 -9.646 2.799 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.570 -8.931 2.747 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.182 -9.069 1.110 1.00 0.25 H new ATOM 0 HG21 ILE A 19 2.973 -10.664 0.556 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.637 -11.748 1.802 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.006 -12.034 1.150 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -1.089 -9.965 1.274 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.062 -11.257 0.861 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.560 -11.117 2.523 1.00 0.28 H new ATOM 315 N VAL A 20 3.934 -11.383 4.895 1.00 0.25 N ATOM 316 CA VAL A 20 5.118 -12.074 5.377 1.00 0.28 C ATOM 317 C VAL A 20 4.779 -12.928 6.601 1.00 0.33 C ATOM 318 O VAL A 20 5.412 -13.955 6.845 1.00 0.34 O ATOM 319 CB VAL A 20 6.266 -11.091 5.705 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.640 -10.281 4.472 1.00 0.26 C ATOM 321 CG2 VAL A 20 5.899 -10.170 6.858 1.00 0.30 C ATOM 0 H VAL A 20 3.897 -10.390 5.126 1.00 0.25 H new ATOM 0 HA VAL A 20 5.465 -12.726 4.575 1.00 0.28 H new ATOM 0 HB VAL A 20 7.130 -11.679 6.014 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.449 -9.594 4.720 1.00 0.26 H new ATOM 0 HG12 VAL A 20 6.966 -10.954 3.679 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.773 -9.714 4.133 1.00 0.26 H new ATOM 0 HG21 VAL A 20 6.729 -9.493 7.061 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.014 -9.591 6.594 1.00 0.30 H new ATOM 0 HG23 VAL A 20 5.691 -10.765 7.747 1.00 0.30 H new ATOM 331 N GLU A 21 3.766 -12.499 7.355 1.00 0.39 N ATOM 332 CA GLU A 21 3.245 -13.272 8.480 1.00 0.49 C ATOM 333 C GLU A 21 2.766 -14.638 8.007 1.00 0.48 C ATOM 334 O GLU A 21 3.200 -15.678 8.504 1.00 0.51 O ATOM 335 CB GLU A 21 2.073 -12.526 9.129 1.00 0.59 C ATOM 336 CG GLU A 21 1.354 -13.314 10.212 1.00 1.23 C ATOM 337 CD GLU A 21 -0.002 -12.726 10.544 1.00 1.83 C ATOM 338 OE1 GLU A 21 -0.069 -11.802 11.385 1.00 2.39 O ATOM 339 OE2 GLU A 21 -1.011 -13.179 9.958 1.00 2.49 O ATOM 0 H GLU A 21 3.287 -11.611 7.203 1.00 0.39 H new ATOM 0 HA GLU A 21 4.045 -13.403 9.208 1.00 0.49 H new ATOM 0 HB2 GLU A 21 2.443 -11.595 9.558 1.00 0.59 H new ATOM 0 HB3 GLU A 21 1.355 -12.257 8.354 1.00 0.59 H new ATOM 0 HG2 GLU A 21 1.230 -14.347 9.886 1.00 1.23 H new ATOM 0 HG3 GLU A 21 1.969 -13.336 11.112 1.00 1.23 H new ATOM 346 N LYS A 22 1.880 -14.617 7.020 1.00 0.46 N ATOM 347 CA LYS A 22 1.273 -15.835 6.505 1.00 0.49 C ATOM 348 C LYS A 22 2.195 -16.516 5.502 1.00 0.42 C ATOM 349 O LYS A 22 1.905 -17.603 5.007 1.00 0.44 O ATOM 350 CB LYS A 22 -0.073 -15.511 5.855 1.00 0.57 C ATOM 351 CG LYS A 22 -0.962 -14.642 6.731 1.00 0.67 C ATOM 352 CD LYS A 22 -2.307 -14.377 6.083 1.00 0.80 C ATOM 353 CE LYS A 22 -3.108 -13.350 6.870 1.00 0.72 C ATOM 354 NZ LYS A 22 -3.181 -13.677 8.322 1.00 1.42 N ATOM 0 H LYS A 22 1.565 -13.764 6.558 1.00 0.46 H new ATOM 0 HA LYS A 22 1.111 -16.521 7.336 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.101 -15.003 4.906 1.00 0.57 H new ATOM 0 HB3 LYS A 22 -0.594 -16.441 5.628 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -1.113 -15.131 7.694 1.00 0.67 H new ATOM 0 HG3 LYS A 22 -0.461 -13.694 6.930 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -2.158 -14.021 5.064 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.871 -15.308 6.017 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -2.655 -12.366 6.744 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -4.117 -13.291 6.463 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -3.907 -13.086 8.775 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.429 -14.680 8.440 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -2.259 -13.494 8.766 1.00 1.42 H new ATOM 368 N LYS A 23 3.319 -15.854 5.232 1.00 0.36 N ATOM 369 CA LYS A 23 4.338 -16.351 4.312 1.00 0.32 C ATOM 370 C LYS A 23 3.758 -16.618 2.930 1.00 0.36 C ATOM 371 O LYS A 23 4.093 -17.611 2.286 1.00 0.41 O ATOM 372 CB LYS A 23 5.000 -17.614 4.870 1.00 0.36 C ATOM 373 CG LYS A 23 5.754 -17.371 6.165 1.00 0.42 C ATOM 374 CD LYS A 23 6.402 -18.643 6.681 1.00 0.57 C ATOM 375 CE LYS A 23 7.151 -18.396 7.981 1.00 1.21 C ATOM 376 NZ LYS A 23 6.266 -17.855 9.046 1.00 1.79 N ATOM 0 H LYS A 23 3.549 -14.952 5.649 1.00 0.36 H new ATOM 0 HA LYS A 23 5.098 -15.576 4.210 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.236 -18.373 5.039 1.00 0.36 H new ATOM 0 HB3 LYS A 23 5.688 -18.015 4.126 1.00 0.36 H new ATOM 0 HG2 LYS A 23 6.519 -16.611 6.004 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.069 -16.980 6.917 1.00 0.42 H new ATOM 0 HD2 LYS A 23 5.638 -19.404 6.838 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.090 -19.033 5.931 1.00 0.57 H new ATOM 0 HE2 LYS A 23 7.599 -19.329 8.323 1.00 1.21 H new ATOM 0 HE3 LYS A 23 7.968 -17.697 7.800 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 6.747 -17.924 9.965 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 6.048 -16.859 8.843 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 5.383 -18.403 9.075 1.00 1.79 H new ATOM 390 N GLU A 24 2.903 -15.710 2.472 1.00 0.37 N ATOM 391 CA GLU A 24 2.299 -15.831 1.151 1.00 0.46 C ATOM 392 C GLU A 24 3.295 -15.464 0.060 1.00 0.40 C ATOM 393 O GLU A 24 2.994 -15.571 -1.125 1.00 0.43 O ATOM 394 CB GLU A 24 1.062 -14.943 1.027 1.00 0.57 C ATOM 395 CG GLU A 24 -0.181 -15.505 1.693 1.00 0.84 C ATOM 396 CD GLU A 24 -1.433 -14.764 1.271 1.00 1.08 C ATOM 397 OE1 GLU A 24 -1.594 -14.508 0.055 1.00 1.83 O ATOM 398 OE2 GLU A 24 -2.268 -14.450 2.140 1.00 1.65 O ATOM 0 H GLU A 24 2.613 -14.884 2.995 1.00 0.37 H new ATOM 0 HA GLU A 24 2.001 -16.872 1.026 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.284 -13.969 1.462 1.00 0.57 H new ATOM 0 HB3 GLU A 24 0.851 -14.780 -0.030 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -0.282 -16.561 1.441 1.00 0.84 H new ATOM 0 HG3 GLU A 24 -0.071 -15.445 2.776 1.00 0.84 H new ATOM 405 N ILE A 25 4.477 -15.029 0.460 1.00 0.36 N ATOM 406 CA ILE A 25 5.492 -14.620 -0.491 1.00 0.33 C ATOM 407 C ILE A 25 6.824 -15.288 -0.155 1.00 0.33 C ATOM 408 O ILE A 25 7.076 -15.632 1.004 1.00 0.34 O ATOM 409 CB ILE A 25 5.653 -13.078 -0.502 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.545 -12.636 -1.666 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.218 -12.588 0.826 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.645 -11.135 -1.828 1.00 0.28 C ATOM 0 H ILE A 25 4.756 -14.950 1.438 1.00 0.36 H new ATOM 0 HA ILE A 25 5.176 -14.935 -1.486 1.00 0.33 H new ATOM 0 HB ILE A 25 4.668 -12.632 -0.639 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.545 -13.043 -1.519 1.00 0.30 H new ATOM 0 HG13 ILE A 25 6.159 -13.066 -2.590 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.324 -11.503 0.798 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.542 -12.866 1.634 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.194 -13.043 0.997 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.294 -10.903 -2.673 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.653 -10.722 -2.008 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.061 -10.698 -0.920 1.00 0.28 H new ATOM 424 N SER A 26 7.641 -15.513 -1.178 1.00 0.35 N ATOM 425 CA SER A 26 8.981 -16.056 -0.999 1.00 0.38 C ATOM 426 C SER A 26 9.792 -15.175 -0.050 1.00 0.34 C ATOM 427 O SER A 26 9.579 -13.965 0.028 1.00 0.31 O ATOM 428 CB SER A 26 9.678 -16.151 -2.357 1.00 0.46 C ATOM 429 OG SER A 26 9.677 -14.895 -3.018 1.00 1.45 O ATOM 0 H SER A 26 7.394 -15.325 -2.150 1.00 0.35 H new ATOM 0 HA SER A 26 8.906 -17.052 -0.562 1.00 0.38 H new ATOM 0 HB2 SER A 26 10.704 -16.493 -2.220 1.00 0.46 H new ATOM 0 HB3 SER A 26 9.175 -16.893 -2.977 1.00 0.46 H new ATOM 0 HG SER A 26 10.129 -14.980 -3.883 1.00 1.45 H new ATOM 435 N GLU A 27 10.729 -15.795 0.663 1.00 0.40 N ATOM 436 CA GLU A 27 11.498 -15.109 1.697 1.00 0.45 C ATOM 437 C GLU A 27 12.365 -14.002 1.111 1.00 0.40 C ATOM 438 O GLU A 27 12.676 -13.025 1.792 1.00 0.44 O ATOM 439 CB GLU A 27 12.368 -16.102 2.461 1.00 0.69 C ATOM 440 CG GLU A 27 11.570 -17.162 3.197 1.00 0.75 C ATOM 441 CD GLU A 27 12.448 -18.103 3.988 1.00 1.21 C ATOM 442 OE1 GLU A 27 13.011 -19.042 3.390 1.00 1.87 O ATOM 443 OE2 GLU A 27 12.572 -17.913 5.220 1.00 1.71 O ATOM 0 H GLU A 27 10.975 -16.778 0.542 1.00 0.40 H new ATOM 0 HA GLU A 27 10.787 -14.651 2.384 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.048 -16.590 1.763 1.00 0.69 H new ATOM 0 HB3 GLU A 27 12.983 -15.558 3.178 1.00 0.69 H new ATOM 0 HG2 GLU A 27 10.863 -16.677 3.871 1.00 0.75 H new ATOM 0 HG3 GLU A 27 10.984 -17.735 2.478 1.00 0.75 H new ATOM 450 N ASP A 28 12.757 -14.159 -0.146 1.00 0.39 N ATOM 451 CA ASP A 28 13.526 -13.130 -0.837 1.00 0.39 C ATOM 452 C ASP A 28 12.648 -11.909 -1.076 1.00 0.35 C ATOM 453 O ASP A 28 13.048 -10.774 -0.813 1.00 0.38 O ATOM 454 CB ASP A 28 14.069 -13.658 -2.167 1.00 0.46 C ATOM 455 CG ASP A 28 14.974 -12.661 -2.862 1.00 1.01 C ATOM 456 OD1 ASP A 28 16.196 -12.683 -2.603 1.00 1.63 O ATOM 457 OD2 ASP A 28 14.474 -11.861 -3.679 1.00 1.85 O ATOM 0 H ASP A 28 12.556 -14.986 -0.708 1.00 0.39 H new ATOM 0 HA ASP A 28 14.374 -12.849 -0.212 1.00 0.39 H new ATOM 0 HB2 ASP A 28 14.620 -14.582 -1.990 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.235 -13.906 -2.824 1.00 0.46 H new ATOM 462 N GLY A 29 11.434 -12.162 -1.555 1.00 0.31 N ATOM 463 CA GLY A 29 10.472 -11.098 -1.737 1.00 0.30 C ATOM 464 C GLY A 29 10.057 -10.491 -0.414 1.00 0.26 C ATOM 465 O GLY A 29 9.858 -9.281 -0.311 1.00 0.24 O ATOM 0 H GLY A 29 11.102 -13.089 -1.820 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.900 -10.325 -2.375 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.593 -11.485 -2.252 1.00 0.30 H new ATOM 469 N ALA A 30 9.928 -11.340 0.603 1.00 0.24 N ATOM 470 CA ALA A 30 9.611 -10.890 1.951 1.00 0.23 C ATOM 471 C ALA A 30 10.629 -9.871 2.446 1.00 0.22 C ATOM 472 O ALA A 30 10.263 -8.865 3.049 1.00 0.21 O ATOM 473 CB ALA A 30 9.543 -12.075 2.903 1.00 0.24 C ATOM 0 H ALA A 30 10.040 -12.350 0.515 1.00 0.24 H new ATOM 0 HA ALA A 30 8.636 -10.404 1.922 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.305 -11.722 3.907 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.770 -12.766 2.569 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.506 -12.586 2.917 1.00 0.24 H new ATOM 479 N ASP A 31 11.906 -10.132 2.189 1.00 0.24 N ATOM 480 CA ASP A 31 12.963 -9.194 2.561 1.00 0.25 C ATOM 481 C ASP A 31 12.744 -7.849 1.883 1.00 0.23 C ATOM 482 O ASP A 31 12.826 -6.798 2.521 1.00 0.22 O ATOM 483 CB ASP A 31 14.340 -9.740 2.184 1.00 0.30 C ATOM 484 CG ASP A 31 15.434 -8.700 2.343 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.858 -8.447 3.490 1.00 1.46 O ATOM 486 OD2 ASP A 31 15.868 -8.127 1.323 1.00 1.34 O ATOM 0 H ASP A 31 12.235 -10.980 1.727 1.00 0.24 H new ATOM 0 HA ASP A 31 12.925 -9.062 3.642 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.569 -10.604 2.808 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.320 -10.089 1.151 1.00 0.30 H new ATOM 491 N SER A 32 12.439 -7.895 0.592 1.00 0.24 N ATOM 492 CA SER A 32 12.177 -6.687 -0.172 1.00 0.23 C ATOM 493 C SER A 32 10.964 -5.939 0.390 1.00 0.20 C ATOM 494 O SER A 32 10.926 -4.713 0.385 1.00 0.22 O ATOM 495 CB SER A 32 11.961 -7.034 -1.644 1.00 0.25 C ATOM 496 OG SER A 32 13.057 -7.779 -2.155 1.00 0.92 O ATOM 0 H SER A 32 12.368 -8.758 0.054 1.00 0.24 H new ATOM 0 HA SER A 32 13.044 -6.031 -0.090 1.00 0.23 H new ATOM 0 HB2 SER A 32 11.042 -7.609 -1.755 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.836 -6.119 -2.223 1.00 0.25 H new ATOM 0 HG SER A 32 13.409 -7.336 -2.955 1.00 0.92 H new ATOM 502 N LEU A 33 9.983 -6.683 0.893 1.00 0.17 N ATOM 503 CA LEU A 33 8.813 -6.074 1.519 1.00 0.15 C ATOM 504 C LEU A 33 9.180 -5.446 2.857 1.00 0.14 C ATOM 505 O LEU A 33 8.710 -4.358 3.192 1.00 0.13 O ATOM 506 CB LEU A 33 7.701 -7.105 1.726 1.00 0.16 C ATOM 507 CG LEU A 33 7.118 -7.713 0.451 1.00 0.18 C ATOM 508 CD1 LEU A 33 6.009 -8.693 0.796 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.602 -6.623 -0.478 1.00 0.19 C ATOM 0 H LEU A 33 9.974 -7.703 0.880 1.00 0.17 H new ATOM 0 HA LEU A 33 8.451 -5.296 0.848 1.00 0.15 H new ATOM 0 HB2 LEU A 33 8.090 -7.912 2.347 1.00 0.16 H new ATOM 0 HB3 LEU A 33 6.893 -6.634 2.285 1.00 0.16 H new ATOM 0 HG LEU A 33 7.909 -8.253 -0.069 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.602 -9.119 -0.121 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.410 -9.491 1.420 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.218 -8.172 1.336 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.191 -7.078 -1.380 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.823 -6.052 0.028 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.422 -5.957 -0.748 1.00 0.19 H new ATOM 521 N ASN A 34 10.025 -6.136 3.615 1.00 0.15 N ATOM 522 CA ASN A 34 10.465 -5.647 4.918 1.00 0.16 C ATOM 523 C ASN A 34 11.175 -4.308 4.790 1.00 0.16 C ATOM 524 O ASN A 34 10.858 -3.361 5.509 1.00 0.16 O ATOM 525 CB ASN A 34 11.379 -6.663 5.608 1.00 0.18 C ATOM 526 CG ASN A 34 10.606 -7.699 6.401 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.321 -7.505 7.580 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.260 -8.808 5.766 1.00 0.21 N ATOM 0 H ASN A 34 10.420 -7.038 3.349 1.00 0.15 H new ATOM 0 HA ASN A 34 9.575 -5.509 5.532 1.00 0.16 H new ATOM 0 HB2 ASN A 34 11.989 -7.166 4.857 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.063 -6.137 6.274 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.740 -9.535 6.256 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.514 -8.935 4.786 1.00 0.21 H new ATOM 535 N VAL A 35 12.118 -4.219 3.858 1.00 0.17 N ATOM 536 CA VAL A 35 12.849 -2.976 3.651 1.00 0.19 C ATOM 537 C VAL A 35 11.942 -1.920 3.026 1.00 0.18 C ATOM 538 O VAL A 35 12.116 -0.725 3.260 1.00 0.20 O ATOM 539 CB VAL A 35 14.109 -3.172 2.776 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.030 -4.211 3.393 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.743 -3.565 1.356 1.00 0.22 C ATOM 0 H VAL A 35 12.391 -4.984 3.241 1.00 0.17 H new ATOM 0 HA VAL A 35 13.180 -2.637 4.632 1.00 0.19 H new ATOM 0 HB VAL A 35 14.635 -2.218 2.733 1.00 0.22 H new ATOM 0 HG11 VAL A 35 15.911 -4.336 2.764 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.337 -3.882 4.386 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.504 -5.162 3.473 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.652 -3.695 0.769 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.184 -4.500 1.370 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.130 -2.783 0.908 1.00 0.22 H new ATOM 551 N ALA A 36 10.959 -2.368 2.245 1.00 0.16 N ATOM 552 CA ALA A 36 9.976 -1.467 1.664 1.00 0.16 C ATOM 553 C ALA A 36 9.166 -0.793 2.761 1.00 0.15 C ATOM 554 O ALA A 36 9.071 0.433 2.807 1.00 0.15 O ATOM 555 CB ALA A 36 9.055 -2.213 0.710 1.00 0.18 C ATOM 0 H ALA A 36 10.826 -3.350 2.003 1.00 0.16 H new ATOM 0 HA ALA A 36 10.506 -0.702 1.097 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.329 -1.519 0.288 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.644 -2.655 -0.094 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.532 -3.001 1.251 1.00 0.18 H new ATOM 561 N MET A 37 8.600 -1.602 3.655 1.00 0.14 N ATOM 562 CA MET A 37 7.833 -1.094 4.780 1.00 0.14 C ATOM 563 C MET A 37 8.681 -0.170 5.638 1.00 0.15 C ATOM 564 O MET A 37 8.190 0.829 6.164 1.00 0.18 O ATOM 565 CB MET A 37 7.315 -2.249 5.632 1.00 0.16 C ATOM 566 CG MET A 37 6.309 -3.137 4.925 1.00 0.16 C ATOM 567 SD MET A 37 5.657 -4.434 5.995 1.00 0.21 S ATOM 568 CE MET A 37 7.133 -5.392 6.334 1.00 0.19 C ATOM 0 H MET A 37 8.662 -2.619 3.617 1.00 0.14 H new ATOM 0 HA MET A 37 6.988 -0.530 4.385 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.160 -2.859 5.951 1.00 0.16 H new ATOM 0 HB3 MET A 37 6.856 -1.844 6.534 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.485 -2.525 4.558 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.781 -3.592 4.054 1.00 0.16 H new ATOM 0 HE1 MET A 37 6.873 -6.259 6.941 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.574 -5.726 5.395 1.00 0.19 H new ATOM 0 HE3 MET A 37 7.852 -4.774 6.872 1.00 0.19 H new ATOM 578 N ASP A 38 9.956 -0.513 5.774 1.00 0.17 N ATOM 579 CA ASP A 38 10.893 0.302 6.534 1.00 0.23 C ATOM 580 C ASP A 38 11.040 1.681 5.908 1.00 0.19 C ATOM 581 O ASP A 38 11.018 2.692 6.606 1.00 0.22 O ATOM 582 CB ASP A 38 12.259 -0.381 6.612 1.00 0.33 C ATOM 583 CG ASP A 38 13.267 0.438 7.391 1.00 0.89 C ATOM 584 OD1 ASP A 38 13.218 0.407 8.639 1.00 1.68 O ATOM 585 OD2 ASP A 38 14.110 1.116 6.761 1.00 1.41 O ATOM 0 H ASP A 38 10.365 -1.353 5.366 1.00 0.17 H new ATOM 0 HA ASP A 38 10.497 0.416 7.543 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.148 -1.358 7.081 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.635 -0.553 5.603 1.00 0.33 H new ATOM 590 N CYS A 39 11.167 1.712 4.588 1.00 0.17 N ATOM 591 CA CYS A 39 11.301 2.967 3.860 1.00 0.18 C ATOM 592 C CYS A 39 9.994 3.760 3.893 1.00 0.16 C ATOM 593 O CYS A 39 10.005 4.989 3.954 1.00 0.19 O ATOM 594 CB CYS A 39 11.724 2.693 2.418 1.00 0.20 C ATOM 595 SG CYS A 39 13.292 1.806 2.269 1.00 0.26 S ATOM 0 H CYS A 39 11.180 0.880 3.998 1.00 0.17 H new ATOM 0 HA CYS A 39 12.071 3.567 4.346 1.00 0.18 H new ATOM 0 HB2 CYS A 39 10.943 2.115 1.924 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.803 3.641 1.887 1.00 0.20 H new ATOM 0 HG CYS A 39 13.096 0.539 2.487 1.00 0.26 H new ATOM 601 N ILE A 40 8.869 3.052 3.871 1.00 0.13 N ATOM 602 CA ILE A 40 7.561 3.690 3.982 1.00 0.13 C ATOM 603 C ILE A 40 7.416 4.348 5.351 1.00 0.15 C ATOM 604 O ILE A 40 7.050 5.519 5.459 1.00 0.16 O ATOM 605 CB ILE A 40 6.415 2.672 3.779 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.480 2.070 2.374 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.061 3.332 4.015 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.482 0.955 2.141 1.00 0.16 C ATOM 0 H ILE A 40 8.836 2.037 3.777 1.00 0.13 H new ATOM 0 HA ILE A 40 7.493 4.445 3.198 1.00 0.13 H new ATOM 0 HB ILE A 40 6.535 1.869 4.506 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.307 2.859 1.642 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.486 1.688 2.199 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.268 2.599 3.867 1.00 0.16 H new ATOM 0 HG22 ILE A 40 5.016 3.715 5.035 1.00 0.16 H new ATOM 0 HG23 ILE A 40 4.930 4.155 3.312 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.588 0.578 1.124 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.668 0.147 2.848 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.471 1.336 2.283 1.00 0.16 H new ATOM 620 N SER A 41 7.736 3.585 6.388 1.00 0.21 N ATOM 621 CA SER A 41 7.671 4.076 7.756 1.00 0.28 C ATOM 622 C SER A 41 8.672 5.209 7.962 1.00 0.30 C ATOM 623 O SER A 41 8.414 6.154 8.704 1.00 0.34 O ATOM 624 CB SER A 41 7.948 2.930 8.727 1.00 0.37 C ATOM 625 OG SER A 41 7.094 1.828 8.461 1.00 1.13 O ATOM 0 H SER A 41 8.045 2.617 6.305 1.00 0.21 H new ATOM 0 HA SER A 41 6.672 4.467 7.948 1.00 0.28 H new ATOM 0 HB2 SER A 41 8.989 2.618 8.642 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.800 3.271 9.752 1.00 0.37 H new ATOM 0 HG SER A 41 7.406 1.358 7.660 1.00 1.13 H new ATOM 631 N GLU A 42 9.809 5.101 7.286 1.00 0.32 N ATOM 632 CA GLU A 42 10.836 6.132 7.317 1.00 0.37 C ATOM 633 C GLU A 42 10.310 7.443 6.742 1.00 0.31 C ATOM 634 O GLU A 42 10.545 8.517 7.298 1.00 0.44 O ATOM 635 CB GLU A 42 12.059 5.666 6.524 1.00 0.46 C ATOM 636 CG GLU A 42 13.203 6.662 6.500 1.00 0.59 C ATOM 637 CD GLU A 42 14.380 6.157 5.698 1.00 1.45 C ATOM 638 OE1 GLU A 42 15.218 5.421 6.268 1.00 2.23 O ATOM 639 OE2 GLU A 42 14.470 6.479 4.492 1.00 2.00 O ATOM 0 H GLU A 42 10.044 4.298 6.703 1.00 0.32 H new ATOM 0 HA GLU A 42 11.121 6.306 8.355 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.418 4.729 6.949 1.00 0.46 H new ATOM 0 HB3 GLU A 42 11.754 5.455 5.499 1.00 0.46 H new ATOM 0 HG2 GLU A 42 12.854 7.604 6.077 1.00 0.59 H new ATOM 0 HG3 GLU A 42 13.523 6.870 7.521 1.00 0.59 H new ATOM 646 N ALA A 43 9.579 7.338 5.639 1.00 0.18 N ATOM 647 CA ALA A 43 9.068 8.504 4.931 1.00 0.16 C ATOM 648 C ALA A 43 8.096 9.313 5.782 1.00 0.17 C ATOM 649 O ALA A 43 8.256 10.524 5.935 1.00 0.25 O ATOM 650 CB ALA A 43 8.395 8.073 3.636 1.00 0.19 C ATOM 0 H ALA A 43 9.325 6.447 5.212 1.00 0.18 H new ATOM 0 HA ALA A 43 9.918 9.148 4.706 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.016 8.951 3.113 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.119 7.558 3.004 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.568 7.400 3.862 1.00 0.19 H new ATOM 656 N PHE A 44 7.094 8.646 6.342 1.00 0.19 N ATOM 657 CA PHE A 44 6.051 9.341 7.091 1.00 0.26 C ATOM 658 C PHE A 44 6.392 9.447 8.575 1.00 0.30 C ATOM 659 O PHE A 44 5.703 10.121 9.340 1.00 0.35 O ATOM 660 CB PHE A 44 4.701 8.645 6.906 1.00 0.27 C ATOM 661 CG PHE A 44 4.256 8.575 5.475 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.624 9.652 4.879 1.00 1.15 C ATOM 663 CD2 PHE A 44 4.474 7.431 4.724 1.00 1.10 C ATOM 664 CE1 PHE A 44 3.218 9.591 3.561 1.00 1.15 C ATOM 665 CE2 PHE A 44 4.070 7.364 3.406 1.00 1.13 C ATOM 666 CZ PHE A 44 3.441 8.446 2.823 1.00 0.31 C ATOM 0 H PHE A 44 6.981 7.633 6.293 1.00 0.19 H new ATOM 0 HA PHE A 44 5.986 10.354 6.693 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.764 7.634 7.309 1.00 0.27 H new ATOM 0 HB3 PHE A 44 3.946 9.173 7.488 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.446 10.550 5.451 1.00 1.15 H new ATOM 0 HD2 PHE A 44 4.966 6.582 5.175 1.00 1.10 H new ATOM 0 HE1 PHE A 44 2.726 10.439 3.107 1.00 1.15 H new ATOM 0 HE2 PHE A 44 4.246 6.466 2.832 1.00 1.13 H new ATOM 0 HZ PHE A 44 3.124 8.397 1.792 1.00 0.31 H new ATOM 676 N GLY A 45 7.466 8.771 8.969 1.00 0.29 N ATOM 677 CA GLY A 45 7.938 8.837 10.338 1.00 0.35 C ATOM 678 C GLY A 45 7.022 8.134 11.320 1.00 0.37 C ATOM 679 O GLY A 45 6.548 8.746 12.275 1.00 0.43 O ATOM 0 H GLY A 45 8.022 8.173 8.357 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.931 8.392 10.395 1.00 0.35 H new ATOM 0 HA3 GLY A 45 8.040 9.882 10.630 1.00 0.35 H new ATOM 683 N PHE A 46 6.772 6.853 11.099 1.00 0.36 N ATOM 684 CA PHE A 46 5.918 6.086 11.996 1.00 0.39 C ATOM 685 C PHE A 46 6.456 4.671 12.166 1.00 0.40 C ATOM 686 O PHE A 46 7.379 4.262 11.464 1.00 0.41 O ATOM 687 CB PHE A 46 4.469 6.057 11.480 1.00 0.37 C ATOM 688 CG PHE A 46 4.254 5.246 10.229 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.639 5.732 8.991 1.00 1.27 C ATOM 690 CD2 PHE A 46 3.650 4.000 10.295 1.00 1.17 C ATOM 691 CE1 PHE A 46 4.425 4.990 7.844 1.00 1.26 C ATOM 692 CE2 PHE A 46 3.437 3.254 9.154 1.00 1.18 C ATOM 693 CZ PHE A 46 3.825 3.750 7.926 1.00 0.22 C ATOM 0 H PHE A 46 7.145 6.324 10.311 1.00 0.36 H new ATOM 0 HA PHE A 46 5.921 6.575 12.970 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.827 5.660 12.267 1.00 0.37 H new ATOM 0 HB3 PHE A 46 4.146 7.081 11.291 1.00 0.37 H new ATOM 0 HD1 PHE A 46 5.111 6.701 8.920 1.00 1.27 H new ATOM 0 HD2 PHE A 46 3.342 3.608 11.253 1.00 1.17 H new ATOM 0 HE1 PHE A 46 4.727 5.381 6.884 1.00 1.26 H new ATOM 0 HE2 PHE A 46 2.968 2.284 9.222 1.00 1.18 H new ATOM 0 HZ PHE A 46 3.659 3.169 7.031 1.00 0.22 H new ATOM 703 N GLU A 47 5.889 3.944 13.115 1.00 0.42 N ATOM 704 CA GLU A 47 6.282 2.567 13.383 1.00 0.44 C ATOM 705 C GLU A 47 5.280 1.616 12.745 1.00 0.40 C ATOM 706 O GLU A 47 4.105 1.951 12.606 1.00 0.39 O ATOM 707 CB GLU A 47 6.338 2.330 14.893 1.00 0.53 C ATOM 708 CG GLU A 47 7.402 3.154 15.599 1.00 0.59 C ATOM 709 CD GLU A 47 7.315 3.049 17.105 1.00 1.14 C ATOM 710 OE1 GLU A 47 7.801 2.048 17.667 1.00 1.56 O ATOM 711 OE2 GLU A 47 6.758 3.971 17.737 1.00 1.92 O ATOM 0 H GLU A 47 5.145 4.289 13.721 1.00 0.42 H new ATOM 0 HA GLU A 47 7.269 2.384 12.958 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.365 2.562 15.325 1.00 0.53 H new ATOM 0 HB3 GLU A 47 6.526 1.273 15.080 1.00 0.53 H new ATOM 0 HG2 GLU A 47 8.388 2.824 15.272 1.00 0.59 H new ATOM 0 HG3 GLU A 47 7.302 4.199 15.305 1.00 0.59 H new ATOM 718 N ARG A 48 5.728 0.413 12.401 1.00 0.41 N ATOM 719 CA ARG A 48 4.898 -0.519 11.647 1.00 0.40 C ATOM 720 C ARG A 48 3.904 -1.197 12.578 1.00 0.41 C ATOM 721 O ARG A 48 2.923 -1.793 12.138 1.00 0.43 O ATOM 722 CB ARG A 48 5.759 -1.580 10.955 1.00 0.44 C ATOM 723 CG ARG A 48 6.929 -1.012 10.170 1.00 0.61 C ATOM 724 CD ARG A 48 7.629 -2.083 9.344 1.00 0.91 C ATOM 725 NE ARG A 48 7.926 -3.289 10.119 1.00 1.18 N ATOM 726 CZ ARG A 48 9.085 -3.949 10.072 1.00 1.88 C ATOM 727 NH1 ARG A 48 10.108 -3.463 9.374 1.00 2.57 N ATOM 728 NH2 ARG A 48 9.227 -5.084 10.746 1.00 2.20 N ATOM 0 H ARG A 48 6.657 0.062 12.631 1.00 0.41 H new ATOM 0 HA ARG A 48 4.360 0.043 10.884 1.00 0.40 H new ATOM 0 HB2 ARG A 48 6.141 -2.270 11.707 1.00 0.44 H new ATOM 0 HB3 ARG A 48 5.130 -2.160 10.280 1.00 0.44 H new ATOM 0 HG2 ARG A 48 6.574 -0.219 9.511 1.00 0.61 H new ATOM 0 HG3 ARG A 48 7.643 -0.559 10.858 1.00 0.61 H new ATOM 0 HD2 ARG A 48 7.001 -2.348 8.493 1.00 0.91 H new ATOM 0 HD3 ARG A 48 8.557 -1.677 8.941 1.00 0.91 H new ATOM 0 HE ARG A 48 7.198 -3.649 10.736 1.00 1.18 H new ATOM 0 HH11 ARG A 48 10.009 -2.581 8.871 1.00 2.57 H new ATOM 0 HH12 ARG A 48 10.991 -3.972 9.342 1.00 2.57 H new ATOM 0 HH21 ARG A 48 8.451 -5.450 11.298 1.00 2.20 H new ATOM 0 HH22 ARG A 48 10.112 -5.590 10.712 1.00 2.20 H new ATOM 742 N GLU A 49 4.181 -1.115 13.872 1.00 0.42 N ATOM 743 CA GLU A 49 3.304 -1.684 14.882 1.00 0.46 C ATOM 744 C GLU A 49 2.319 -0.638 15.393 1.00 0.42 C ATOM 745 O GLU A 49 1.427 -0.942 16.184 1.00 0.46 O ATOM 746 CB GLU A 49 4.125 -2.253 16.038 1.00 0.56 C ATOM 747 CG GLU A 49 4.975 -3.448 15.642 1.00 1.14 C ATOM 748 CD GLU A 49 5.802 -3.980 16.790 1.00 1.54 C ATOM 749 OE1 GLU A 49 5.217 -4.542 17.738 1.00 2.06 O ATOM 750 OE2 GLU A 49 7.040 -3.833 16.755 1.00 2.23 O ATOM 0 H GLU A 49 5.012 -0.657 14.247 1.00 0.42 H new ATOM 0 HA GLU A 49 2.735 -2.494 14.426 1.00 0.46 H new ATOM 0 HB2 GLU A 49 4.773 -1.471 16.434 1.00 0.56 H new ATOM 0 HB3 GLU A 49 3.451 -2.546 16.843 1.00 0.56 H new ATOM 0 HG2 GLU A 49 4.328 -4.241 15.267 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.637 -3.163 14.824 1.00 1.14 H new ATOM 757 N ALA A 50 2.483 0.594 14.927 1.00 0.40 N ATOM 758 CA ALA A 50 1.603 1.685 15.330 1.00 0.42 C ATOM 759 C ALA A 50 0.390 1.762 14.413 1.00 0.37 C ATOM 760 O ALA A 50 -0.483 2.614 14.584 1.00 0.41 O ATOM 761 CB ALA A 50 2.359 3.003 15.320 1.00 0.48 C ATOM 0 H ALA A 50 3.216 0.863 14.271 1.00 0.40 H new ATOM 0 HA ALA A 50 1.254 1.490 16.344 1.00 0.42 H new ATOM 0 HB1 ALA A 50 1.690 3.809 15.623 1.00 0.48 H new ATOM 0 HB2 ALA A 50 3.197 2.947 16.015 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.733 3.200 14.315 1.00 0.48 H new ATOM 767 N VAL A 51 0.361 0.865 13.430 1.00 0.33 N ATOM 768 CA VAL A 51 -0.736 0.788 12.467 1.00 0.31 C ATOM 769 C VAL A 51 -2.104 0.764 13.140 1.00 0.36 C ATOM 770 O VAL A 51 -3.040 1.364 12.634 1.00 0.41 O ATOM 771 CB VAL A 51 -0.607 -0.439 11.541 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.571 -0.271 10.600 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.471 -1.724 12.344 1.00 0.33 C ATOM 0 H VAL A 51 1.095 0.173 13.278 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.660 1.696 11.869 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.519 -0.511 10.949 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.648 -1.145 9.954 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.425 0.620 9.989 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.488 -0.167 11.180 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.382 -2.571 11.663 1.00 0.33 H new ATOM 0 HG22 VAL A 51 0.418 -1.668 12.972 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.352 -1.855 12.973 1.00 0.33 H new ATOM 783 N SER A 52 -2.211 0.094 14.282 1.00 0.37 N ATOM 784 CA SER A 52 -3.479 -0.006 14.999 1.00 0.45 C ATOM 785 C SER A 52 -4.057 1.380 15.297 1.00 0.48 C ATOM 786 O SER A 52 -5.193 1.686 14.923 1.00 0.51 O ATOM 787 CB SER A 52 -3.268 -0.789 16.295 1.00 0.53 C ATOM 788 OG SER A 52 -2.092 -0.354 16.960 1.00 1.24 O ATOM 0 H SER A 52 -1.434 -0.389 14.733 1.00 0.37 H new ATOM 0 HA SER A 52 -4.197 -0.533 14.370 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.130 -0.658 16.949 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.194 -1.854 16.074 1.00 0.53 H new ATOM 0 HG SER A 52 -1.976 -0.866 17.788 1.00 1.24 H new ATOM 794 N GLY A 53 -3.266 2.199 15.980 1.00 0.51 N ATOM 795 CA GLY A 53 -3.657 3.568 16.276 1.00 0.57 C ATOM 796 C GLY A 53 -4.074 4.358 15.045 1.00 0.55 C ATOM 797 O GLY A 53 -5.056 5.101 15.080 1.00 0.59 O ATOM 0 H GLY A 53 -2.348 1.936 16.339 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -4.483 3.556 16.988 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -2.825 4.078 16.761 1.00 0.57 H new ATOM 801 N ILE A 54 -3.337 4.195 13.954 1.00 0.50 N ATOM 802 CA ILE A 54 -3.617 4.937 12.728 1.00 0.51 C ATOM 803 C ILE A 54 -4.839 4.369 12.001 1.00 0.50 C ATOM 804 O ILE A 54 -5.689 5.114 11.519 1.00 0.57 O ATOM 805 CB ILE A 54 -2.406 4.927 11.773 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.146 5.404 12.505 1.00 0.48 C ATOM 807 CG2 ILE A 54 -2.686 5.810 10.563 1.00 0.55 C ATOM 808 CD1 ILE A 54 0.114 5.331 11.668 1.00 0.49 C ATOM 0 H ILE A 54 -2.543 3.558 13.891 1.00 0.50 H new ATOM 0 HA ILE A 54 -3.825 5.965 13.023 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.239 3.906 11.429 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.295 6.433 12.831 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.009 4.802 13.403 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -1.825 5.796 9.895 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.562 5.435 10.034 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -2.872 6.832 10.894 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.962 5.685 12.255 1.00 0.49 H new ATOM 0 HD12 ILE A 54 0.289 4.299 11.363 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.001 5.956 10.783 1.00 0.49 H new ATOM 820 N LEU A 55 -4.917 3.050 11.922 1.00 0.47 N ATOM 821 CA LEU A 55 -6.035 2.386 11.264 1.00 0.48 C ATOM 822 C LEU A 55 -7.336 2.629 12.018 1.00 0.55 C ATOM 823 O LEU A 55 -8.373 2.874 11.410 1.00 0.65 O ATOM 824 CB LEU A 55 -5.764 0.888 11.118 1.00 0.48 C ATOM 825 CG LEU A 55 -4.598 0.540 10.187 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.387 -0.964 10.125 1.00 0.52 C ATOM 827 CD2 LEU A 55 -4.842 1.110 8.799 1.00 0.46 C ATOM 0 H LEU A 55 -4.218 2.415 12.306 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.141 2.813 10.267 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -5.562 0.471 12.104 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -6.666 0.403 10.746 1.00 0.48 H new ATOM 0 HG LEU A 55 -3.690 0.989 10.589 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.554 -1.187 9.458 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.164 -1.342 11.123 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.291 -1.443 9.749 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -4.005 0.855 8.149 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.761 0.690 8.390 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -4.935 2.194 8.862 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.295 -10.108 -3.161 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.149 -9.254 -2.861 1.00 0.36 C ATOM 1169 C LYS B 5 -0.619 -8.543 -4.104 1.00 0.27 C ATOM 1170 O LYS B 5 -0.070 -7.449 -4.003 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.052 -10.091 -2.195 1.00 0.42 C ATOM 1172 CG LYS B 5 0.189 -11.431 -2.877 1.00 0.41 C ATOM 1173 CD LYS B 5 1.022 -12.364 -2.016 1.00 0.54 C ATOM 1174 CE LYS B 5 0.978 -13.788 -2.545 1.00 0.73 C ATOM 1175 NZ LYS B 5 -0.379 -14.394 -2.414 1.00 1.14 N ATOM 0 HA LYS B 5 -1.476 -8.473 -2.175 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.877 -9.521 -2.193 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -0.321 -10.266 -1.153 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -0.768 -11.902 -3.101 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.694 -11.268 -3.829 1.00 0.41 H new ATOM 0 HD2 LYS B 5 2.054 -12.015 -1.991 1.00 0.54 H new ATOM 0 HD3 LYS B 5 0.653 -12.343 -0.991 1.00 0.54 H new ATOM 0 HE2 LYS B 5 1.278 -13.794 -3.593 1.00 0.73 H new ATOM 0 HE3 LYS B 5 1.701 -14.398 -2.003 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 -0.302 -15.430 -2.458 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 -0.797 -14.116 -1.503 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 -0.985 -14.058 -3.189 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.782 -9.168 -5.267 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.436 -8.538 -6.539 1.00 0.36 C ATOM 1191 C GLU B 6 -1.268 -7.273 -6.769 1.00 0.38 C ATOM 1192 O GLU B 6 -0.725 -6.182 -6.958 1.00 0.40 O ATOM 1193 CB GLU B 6 -0.672 -9.522 -7.685 1.00 0.49 C ATOM 1194 CG GLU B 6 -0.410 -8.934 -9.061 1.00 0.99 C ATOM 1195 CD GLU B 6 -0.874 -9.842 -10.178 1.00 1.46 C ATOM 1196 OE1 GLU B 6 -2.058 -9.757 -10.567 1.00 2.00 O ATOM 1197 OE2 GLU B 6 -0.055 -10.642 -10.676 1.00 2.11 O ATOM 0 H GLU B 6 -1.153 -10.114 -5.355 1.00 0.29 H new ATOM 0 HA GLU B 6 0.617 -8.258 -6.506 1.00 0.36 H new ATOM 0 HB2 GLU B 6 -0.030 -10.391 -7.543 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -1.702 -9.876 -7.641 1.00 0.49 H new ATOM 0 HG2 GLU B 6 -0.917 -7.973 -9.144 1.00 0.99 H new ATOM 0 HG3 GLU B 6 0.657 -8.742 -9.173 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.587 -7.442 -6.745 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.525 -6.345 -6.979 1.00 0.48 C ATOM 1206 C GLU B 7 -3.301 -5.220 -5.978 1.00 0.40 C ATOM 1207 O GLU B 7 -3.276 -4.042 -6.339 1.00 0.39 O ATOM 1208 CB GLU B 7 -4.963 -6.849 -6.867 1.00 0.61 C ATOM 1209 CG GLU B 7 -5.301 -7.958 -7.849 1.00 0.74 C ATOM 1210 CD GLU B 7 -6.578 -8.683 -7.475 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -6.646 -9.219 -6.350 1.00 1.68 O ATOM 1212 OE2 GLU B 7 -7.519 -8.715 -8.287 1.00 1.25 O ATOM 0 H GLU B 7 -3.036 -8.340 -6.564 1.00 0.41 H new ATOM 0 HA GLU B 7 -3.353 -5.960 -7.984 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -5.134 -7.210 -5.853 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.645 -6.014 -7.027 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -5.404 -7.537 -8.849 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.478 -8.671 -7.887 1.00 0.74 H new ATOM 1219 N ILE B 8 -3.127 -5.599 -4.720 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.925 -4.635 -3.653 1.00 0.35 C ATOM 1221 C ILE B 8 -1.624 -3.863 -3.860 1.00 0.27 C ATOM 1222 O ILE B 8 -1.611 -2.638 -3.783 1.00 0.24 O ATOM 1223 CB ILE B 8 -2.914 -5.317 -2.266 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.228 -6.074 -2.024 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -2.687 -4.289 -1.164 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -5.444 -5.176 -1.927 1.00 0.96 C ATOM 0 H ILE B 8 -3.122 -6.572 -4.414 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.762 -3.938 -3.684 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.093 -6.033 -2.247 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -4.379 -6.788 -2.834 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.140 -6.650 -1.103 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -2.683 -4.789 -0.195 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -1.729 -3.793 -1.321 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.487 -3.549 -1.187 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -6.332 -5.784 -1.756 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -5.316 -4.479 -1.099 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -5.560 -4.618 -2.856 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.537 -4.583 -4.143 1.00 0.24 N ATOM 1239 CA ALA B 9 0.768 -3.960 -4.364 1.00 0.20 C ATOM 1240 C ALA B 9 0.711 -2.903 -5.463 1.00 0.19 C ATOM 1241 O ALA B 9 1.304 -1.830 -5.332 1.00 0.16 O ATOM 1242 CB ALA B 9 1.805 -5.016 -4.709 1.00 0.21 C ATOM 0 H ALA B 9 -0.535 -5.600 -4.225 1.00 0.24 H new ATOM 0 HA ALA B 9 1.055 -3.462 -3.438 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.771 -4.538 -4.871 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.886 -5.729 -3.888 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.503 -5.540 -5.616 1.00 0.21 H new ATOM 1248 N ALA B 10 -0.010 -3.206 -6.537 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.170 -2.269 -7.641 1.00 0.25 C ATOM 1250 C ALA B 10 -0.850 -0.989 -7.169 1.00 0.23 C ATOM 1251 O ALA B 10 -0.415 0.118 -7.488 1.00 0.22 O ATOM 1252 CB ALA B 10 -0.970 -2.905 -8.764 1.00 0.33 C ATOM 0 H ALA B 10 -0.493 -4.095 -6.666 1.00 0.23 H new ATOM 0 HA ALA B 10 0.821 -2.014 -8.017 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.081 -2.192 -9.581 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.449 -3.792 -9.125 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -1.955 -3.188 -8.394 1.00 0.33 H new ATOM 1258 N LEU B 11 -1.914 -1.153 -6.397 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.649 -0.022 -5.847 1.00 0.29 C ATOM 1260 C LEU B 11 -1.733 0.775 -4.919 1.00 0.26 C ATOM 1261 O LEU B 11 -1.719 2.008 -4.939 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.891 -0.545 -5.096 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.988 0.477 -4.747 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -4.562 1.388 -3.604 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.368 1.295 -5.973 1.00 0.63 C ATOM 0 H LEU B 11 -2.290 -2.064 -6.136 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.982 0.640 -6.646 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -4.343 -1.332 -5.699 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.554 -1.008 -4.169 1.00 0.38 H new ATOM 0 HG LEU B 11 -5.864 -0.080 -4.415 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -5.361 2.096 -3.386 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -4.357 0.788 -2.718 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -3.662 1.933 -3.889 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -6.145 2.012 -5.706 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -4.492 1.830 -6.340 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.740 0.630 -6.753 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.953 0.046 -4.136 1.00 0.21 N ATOM 1278 CA ILE B 12 -0.026 0.627 -3.178 1.00 0.20 C ATOM 1279 C ILE B 12 1.012 1.524 -3.852 1.00 0.18 C ATOM 1280 O ILE B 12 1.137 2.702 -3.508 1.00 0.20 O ATOM 1281 CB ILE B 12 0.686 -0.487 -2.380 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.314 -1.170 -1.444 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.870 0.067 -1.603 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.253 -2.363 -0.706 1.00 0.24 C ATOM 0 H ILE B 12 -0.946 -0.974 -4.148 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.611 1.248 -2.500 1.00 0.20 H new ATOM 0 HB ILE B 12 1.074 -1.226 -3.080 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.672 -0.441 -0.716 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.179 -1.492 -2.024 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.352 -0.740 -1.051 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.585 0.510 -2.296 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.523 0.828 -0.904 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.516 -2.792 -0.063 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.584 -3.112 -1.425 1.00 0.24 H new ATOM 0 HD13 ILE B 12 1.099 -2.045 -0.097 1.00 0.24 H new ATOM 1296 N VAL B 13 1.748 0.978 -4.813 1.00 0.16 N ATOM 1297 CA VAL B 13 2.812 1.734 -5.459 1.00 0.16 C ATOM 1298 C VAL B 13 2.247 2.902 -6.264 1.00 0.16 C ATOM 1299 O VAL B 13 2.827 3.986 -6.287 1.00 0.18 O ATOM 1300 CB VAL B 13 3.709 0.848 -6.357 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.430 -0.199 -5.522 1.00 0.16 C ATOM 1302 CG2 VAL B 13 2.906 0.182 -7.463 1.00 0.14 C ATOM 0 H VAL B 13 1.629 0.026 -5.158 1.00 0.16 H new ATOM 0 HA VAL B 13 3.440 2.127 -4.659 1.00 0.16 H new ATOM 0 HB VAL B 13 4.450 1.496 -6.826 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.056 -0.813 -6.170 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.054 0.296 -4.777 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.698 -0.831 -5.020 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.568 -0.432 -8.074 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.132 -0.446 -7.023 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.442 0.946 -8.087 1.00 0.14 H new ATOM 1312 N ASN B 14 1.102 2.689 -6.905 1.00 0.18 N ATOM 1313 CA ASN B 14 0.455 3.753 -7.666 1.00 0.21 C ATOM 1314 C ASN B 14 0.052 4.901 -6.743 1.00 0.19 C ATOM 1315 O ASN B 14 0.079 6.066 -7.136 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.773 3.233 -8.417 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.286 4.239 -9.433 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -0.520 5.031 -9.983 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -2.581 4.217 -9.694 1.00 0.57 N ATOM 0 H ASN B 14 0.606 1.798 -6.913 1.00 0.18 H new ATOM 0 HA ASN B 14 1.174 4.119 -8.399 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.520 2.302 -8.924 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.564 3.003 -7.703 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -2.976 4.870 -10.370 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.186 3.547 -9.219 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.309 4.564 -5.508 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.676 5.576 -4.527 1.00 0.24 C ATOM 1328 C TYR B 15 0.525 6.452 -4.187 1.00 0.21 C ATOM 1329 O TYR B 15 0.436 7.677 -4.230 1.00 0.23 O ATOM 1330 CB TYR B 15 -1.238 4.942 -3.252 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.734 5.966 -2.254 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.956 6.602 -2.437 1.00 1.19 C ATOM 1333 CD2 TYR B 15 -0.980 6.305 -1.138 1.00 1.30 C ATOM 1334 CE1 TYR B 15 -3.412 7.546 -1.541 1.00 1.21 C ATOM 1335 CE2 TYR B 15 -1.431 7.249 -0.235 1.00 1.39 C ATOM 1336 CZ TYR B 15 -2.647 7.866 -0.441 1.00 0.64 C ATOM 1337 OH TYR B 15 -3.100 8.805 0.455 1.00 0.79 O ATOM 0 H TYR B 15 -0.355 3.604 -5.166 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.456 6.196 -4.970 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -2.057 4.273 -3.516 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.465 4.331 -2.785 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.560 6.352 -3.297 1.00 1.19 H new ATOM 0 HD2 TYR B 15 -0.027 5.824 -0.973 1.00 1.30 H new ATOM 0 HE1 TYR B 15 -4.363 8.032 -1.701 1.00 1.21 H new ATOM 0 HE2 TYR B 15 -0.834 7.502 0.628 1.00 1.39 H new ATOM 0 HH TYR B 15 -4.080 8.795 0.472 1.00 0.79 H new ATOM 1347 N PHE B 16 1.654 5.826 -3.868 1.00 0.20 N ATOM 1348 CA PHE B 16 2.862 6.577 -3.539 1.00 0.20 C ATOM 1349 C PHE B 16 3.359 7.355 -4.749 1.00 0.19 C ATOM 1350 O PHE B 16 3.883 8.461 -4.613 1.00 0.20 O ATOM 1351 CB PHE B 16 3.969 5.660 -3.017 1.00 0.20 C ATOM 1352 CG PHE B 16 3.680 5.055 -1.670 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.294 5.854 -0.604 1.00 1.04 C ATOM 1354 CD2 PHE B 16 3.802 3.690 -1.466 1.00 0.91 C ATOM 1355 CE1 PHE B 16 3.033 5.304 0.634 1.00 1.04 C ATOM 1356 CE2 PHE B 16 3.544 3.136 -0.229 1.00 0.91 C ATOM 1357 CZ PHE B 16 3.159 3.944 0.821 1.00 0.22 C ATOM 0 H PHE B 16 1.758 4.812 -3.830 1.00 0.20 H new ATOM 0 HA PHE B 16 2.602 7.280 -2.747 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.131 4.858 -3.737 1.00 0.20 H new ATOM 0 HB3 PHE B 16 4.898 6.227 -2.957 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.197 6.920 -0.745 1.00 1.04 H new ATOM 0 HD2 PHE B 16 4.102 3.053 -2.284 1.00 0.91 H new ATOM 0 HE1 PHE B 16 2.731 5.937 1.455 1.00 1.04 H new ATOM 0 HE2 PHE B 16 3.643 2.071 -0.083 1.00 0.91 H new ATOM 0 HZ PHE B 16 2.956 3.511 1.789 1.00 0.22 H new ATOM 1367 N SER B 17 3.169 6.784 -5.933 1.00 0.19 N ATOM 1368 CA SER B 17 3.519 7.462 -7.172 1.00 0.20 C ATOM 1369 C SER B 17 2.679 8.728 -7.332 1.00 0.20 C ATOM 1370 O SER B 17 3.133 9.724 -7.894 1.00 0.24 O ATOM 1371 CB SER B 17 3.310 6.531 -8.369 1.00 0.21 C ATOM 1372 OG SER B 17 4.105 5.361 -8.252 1.00 0.90 O ATOM 0 H SER B 17 2.774 5.852 -6.059 1.00 0.19 H new ATOM 0 HA SER B 17 4.572 7.741 -7.132 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.258 6.254 -8.439 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.563 7.056 -9.290 1.00 0.21 H new ATOM 0 HG SER B 17 3.821 4.849 -7.466 1.00 0.90 H new ATOM 1378 N SER B 18 1.456 8.683 -6.813 1.00 0.24 N ATOM 1379 CA SER B 18 0.561 9.828 -6.843 1.00 0.25 C ATOM 1380 C SER B 18 0.971 10.845 -5.774 1.00 0.25 C ATOM 1381 O SER B 18 0.934 12.054 -6.003 1.00 0.29 O ATOM 1382 CB SER B 18 -0.884 9.363 -6.623 1.00 0.26 C ATOM 1383 OG SER B 18 -1.812 10.405 -6.870 1.00 0.84 O ATOM 0 H SER B 18 1.062 7.857 -6.363 1.00 0.24 H new ATOM 0 HA SER B 18 0.627 10.311 -7.818 1.00 0.25 H new ATOM 0 HB2 SER B 18 -1.099 8.520 -7.280 1.00 0.26 H new ATOM 0 HB3 SER B 18 -1.000 9.007 -5.599 1.00 0.26 H new ATOM 0 HG SER B 18 -2.722 10.074 -6.722 1.00 0.84 H new ATOM 1389 N ILE B 19 1.387 10.343 -4.614 1.00 0.23 N ATOM 1390 CA ILE B 19 1.821 11.200 -3.514 1.00 0.24 C ATOM 1391 C ILE B 19 3.040 12.027 -3.915 1.00 0.25 C ATOM 1392 O ILE B 19 3.101 13.227 -3.644 1.00 0.28 O ATOM 1393 CB ILE B 19 2.150 10.378 -2.244 1.00 0.24 C ATOM 1394 CG1 ILE B 19 0.902 9.638 -1.750 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.707 11.273 -1.142 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.265 10.549 -1.428 1.00 0.27 C ATOM 0 H ILE B 19 1.433 9.344 -4.411 1.00 0.23 H new ATOM 0 HA ILE B 19 0.991 11.870 -3.287 1.00 0.24 H new ATOM 0 HB ILE B 19 2.914 9.645 -2.503 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.592 8.921 -2.511 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.160 9.066 -0.859 1.00 0.25 H new ATOM 0 HG21 ILE B 19 2.930 10.670 -0.261 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.620 11.755 -1.492 1.00 0.27 H new ATOM 0 HG23 ILE B 19 1.970 12.034 -0.884 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -1.110 9.951 -1.085 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.025 11.249 -0.645 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.552 11.103 -2.322 1.00 0.27 H new ATOM 1408 N VAL B 20 4.002 11.386 -4.573 1.00 0.25 N ATOM 1409 CA VAL B 20 5.195 12.082 -5.025 1.00 0.28 C ATOM 1410 C VAL B 20 4.884 12.932 -6.260 1.00 0.33 C ATOM 1411 O VAL B 20 5.514 13.963 -6.486 1.00 0.34 O ATOM 1412 CB VAL B 20 6.355 11.105 -5.321 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.700 10.297 -4.078 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.025 10.181 -6.483 1.00 0.30 C ATOM 0 H VAL B 20 3.976 10.392 -4.802 1.00 0.25 H new ATOM 0 HA VAL B 20 5.517 12.737 -4.216 1.00 0.28 H new ATOM 0 HB VAL B 20 7.224 11.698 -5.607 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.519 9.614 -4.304 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.001 10.972 -3.277 1.00 0.26 H new ATOM 0 HG13 VAL B 20 5.827 9.725 -3.762 1.00 0.26 H new ATOM 0 HG21 VAL B 20 6.864 9.508 -6.662 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.136 9.597 -6.243 1.00 0.30 H new ATOM 0 HG23 VAL B 20 5.838 10.774 -7.378 1.00 0.30 H new ATOM 1424 N GLU B 21 3.895 12.496 -7.039 1.00 0.39 N ATOM 1425 CA GLU B 21 3.402 13.266 -8.179 1.00 0.49 C ATOM 1426 C GLU B 21 2.904 14.631 -7.721 1.00 0.49 C ATOM 1427 O GLU B 21 3.342 15.672 -8.217 1.00 0.53 O ATOM 1428 CB GLU B 21 2.253 12.514 -8.860 1.00 0.60 C ATOM 1429 CG GLU B 21 1.565 13.300 -9.964 1.00 1.24 C ATOM 1430 CD GLU B 21 0.220 12.717 -10.338 1.00 1.84 C ATOM 1431 OE1 GLU B 21 0.174 11.813 -11.197 1.00 2.40 O ATOM 1432 OE2 GLU B 21 -0.803 13.163 -9.773 1.00 2.49 O ATOM 0 H GLU B 21 3.416 11.606 -6.899 1.00 0.39 H new ATOM 0 HA GLU B 21 4.222 13.401 -8.885 1.00 0.49 H new ATOM 0 HB2 GLU B 21 2.639 11.584 -9.277 1.00 0.60 H new ATOM 0 HB3 GLU B 21 1.513 12.243 -8.107 1.00 0.60 H new ATOM 0 HG2 GLU B 21 1.433 14.333 -9.642 1.00 1.24 H new ATOM 0 HG3 GLU B 21 2.206 13.320 -10.845 1.00 1.24 H new ATOM 1439 N LYS B 22 1.993 14.611 -6.759 1.00 0.47 N ATOM 1440 CA LYS B 22 1.365 15.828 -6.267 1.00 0.50 C ATOM 1441 C LYS B 22 2.254 16.514 -5.239 1.00 0.43 C ATOM 1442 O LYS B 22 1.938 17.599 -4.749 1.00 0.44 O ATOM 1443 CB LYS B 22 0.003 15.498 -5.652 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.858 14.623 -6.549 1.00 0.68 C ATOM 1445 CD LYS B 22 -2.220 14.352 -5.938 1.00 0.81 C ATOM 1446 CE LYS B 22 -2.992 13.315 -6.742 1.00 0.72 C ATOM 1447 NZ LYS B 22 -3.026 13.636 -8.196 1.00 1.41 N ATOM 0 H LYS B 22 1.671 13.759 -6.301 1.00 0.47 H new ATOM 0 HA LYS B 22 1.223 16.510 -7.105 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.154 14.993 -4.698 1.00 0.58 H new ATOM 0 HB3 LYS B 22 -0.528 16.426 -5.441 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.985 15.109 -7.516 1.00 0.68 H new ATOM 0 HG3 LYS B 22 -0.348 13.677 -6.732 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -2.098 14.003 -4.913 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.791 15.279 -5.893 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -2.536 12.335 -6.599 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -4.012 13.250 -6.363 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -3.710 13.015 -8.673 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -3.310 14.628 -8.326 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -2.081 13.490 -8.606 1.00 1.41 H new ATOM 1461 N LYS B 23 3.374 15.858 -4.937 1.00 0.37 N ATOM 1462 CA LYS B 23 4.365 16.360 -3.990 1.00 0.32 C ATOM 1463 C LYS B 23 3.746 16.622 -2.625 1.00 0.36 C ATOM 1464 O LYS B 23 4.052 17.619 -1.973 1.00 0.41 O ATOM 1465 CB LYS B 23 5.038 17.624 -4.530 1.00 0.36 C ATOM 1466 CG LYS B 23 5.832 17.381 -5.803 1.00 0.42 C ATOM 1467 CD LYS B 23 6.493 18.654 -6.303 1.00 0.57 C ATOM 1468 CE LYS B 23 7.274 18.407 -7.583 1.00 1.21 C ATOM 1469 NZ LYS B 23 6.410 17.865 -8.668 1.00 1.79 N ATOM 0 H LYS B 23 3.620 14.957 -5.347 1.00 0.37 H new ATOM 0 HA LYS B 23 5.126 15.589 -3.867 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.276 18.379 -4.723 1.00 0.36 H new ATOM 0 HB3 LYS B 23 5.702 18.029 -3.767 1.00 0.36 H new ATOM 0 HG2 LYS B 23 6.594 16.624 -5.618 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.171 16.987 -6.575 1.00 0.42 H new ATOM 0 HD2 LYS B 23 5.733 19.415 -6.480 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.162 19.044 -5.536 1.00 0.57 H new ATOM 0 HE2 LYS B 23 7.730 19.340 -7.915 1.00 1.21 H new ATOM 0 HE3 LYS B 23 8.086 17.708 -7.383 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 6.904 17.948 -9.579 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 6.201 16.864 -8.478 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 5.521 18.404 -8.706 1.00 1.79 H new ATOM 1483 N GLU B 24 2.885 15.711 -2.188 1.00 0.38 N ATOM 1484 CA GLU B 24 2.244 15.830 -0.885 1.00 0.46 C ATOM 1485 C GLU B 24 3.211 15.469 0.233 1.00 0.40 C ATOM 1486 O GLU B 24 2.874 15.575 1.410 1.00 0.44 O ATOM 1487 CB GLU B 24 1.008 14.935 -0.791 1.00 0.57 C ATOM 1488 CG GLU B 24 -0.221 15.490 -1.490 1.00 0.85 C ATOM 1489 CD GLU B 24 -1.482 14.745 -1.100 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.679 14.501 0.113 1.00 1.84 O ATOM 1491 OE2 GLU B 24 -2.291 14.417 -1.993 1.00 1.66 O ATOM 0 H GLU B 24 2.615 14.882 -2.717 1.00 0.38 H new ATOM 0 HA GLU B 24 1.937 16.870 -0.772 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.246 13.961 -1.219 1.00 0.57 H new ATOM 0 HB3 GLU B 24 0.771 14.772 0.260 1.00 0.57 H new ATOM 0 HG2 GLU B 24 -0.333 16.546 -1.243 1.00 0.85 H new ATOM 0 HG3 GLU B 24 -0.083 15.428 -2.569 1.00 0.85 H new ATOM 1498 N ILE B 25 4.407 15.043 -0.133 1.00 0.36 N ATOM 1499 CA ILE B 25 5.399 14.639 0.846 1.00 0.33 C ATOM 1500 C ILE B 25 6.735 15.315 0.545 1.00 0.33 C ATOM 1501 O ILE B 25 7.018 15.658 -0.605 1.00 0.34 O ATOM 1502 CB ILE B 25 5.566 13.097 0.863 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.429 12.661 2.052 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.170 12.608 -0.448 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.531 11.161 2.219 1.00 0.28 C ATOM 0 H ILE B 25 4.715 14.968 -1.103 1.00 0.36 H new ATOM 0 HA ILE B 25 5.057 14.952 1.832 1.00 0.33 H new ATOM 0 HB ILE B 25 4.579 12.647 0.973 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.431 13.072 1.931 1.00 0.29 H new ATOM 0 HG13 ILE B 25 6.016 13.091 2.965 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.279 11.524 -0.416 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.515 12.883 -1.275 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.148 13.067 -0.592 1.00 0.26 H new ATOM 0 HD11 ILE B 25 7.158 10.933 3.081 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.536 10.744 2.373 1.00 0.28 H new ATOM 0 HD13 ILE B 25 6.973 10.724 1.323 1.00 0.28 H new ATOM 1517 N SER B 26 7.522 15.545 1.590 1.00 0.35 N ATOM 1518 CA SER B 26 8.865 16.094 1.449 1.00 0.38 C ATOM 1519 C SER B 26 9.707 15.215 0.525 1.00 0.34 C ATOM 1520 O SER B 26 9.504 14.002 0.448 1.00 0.31 O ATOM 1521 CB SER B 26 9.522 16.192 2.825 1.00 0.46 C ATOM 1522 OG SER B 26 9.510 14.936 3.485 1.00 1.47 O ATOM 0 H SER B 26 7.248 15.357 2.555 1.00 0.35 H new ATOM 0 HA SER B 26 8.798 17.089 1.009 1.00 0.38 H new ATOM 0 HB2 SER B 26 10.549 16.540 2.717 1.00 0.46 H new ATOM 0 HB3 SER B 26 8.997 16.930 3.431 1.00 0.46 H new ATOM 0 HG SER B 26 9.937 15.024 4.363 1.00 1.47 H new ATOM 1528 N GLU B 27 10.660 15.839 -0.164 1.00 0.40 N ATOM 1529 CA GLU B 27 11.460 15.154 -1.176 1.00 0.45 C ATOM 1530 C GLU B 27 12.314 14.051 -0.565 1.00 0.40 C ATOM 1531 O GLU B 27 12.641 13.070 -1.234 1.00 0.44 O ATOM 1532 CB GLU B 27 12.347 16.150 -1.916 1.00 0.69 C ATOM 1533 CG GLU B 27 11.564 17.203 -2.678 1.00 0.75 C ATOM 1534 CD GLU B 27 12.461 18.136 -3.456 1.00 1.21 C ATOM 1535 OE1 GLU B 27 13.020 19.075 -2.848 1.00 1.87 O ATOM 1536 OE2 GLU B 27 12.608 17.941 -4.682 1.00 1.70 O ATOM 0 H GLU B 27 10.898 16.823 -0.039 1.00 0.40 H new ATOM 0 HA GLU B 27 10.770 14.693 -1.883 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.003 16.644 -1.199 1.00 0.69 H new ATOM 0 HB3 GLU B 27 12.986 15.608 -2.613 1.00 0.69 H new ATOM 0 HG2 GLU B 27 10.872 16.713 -3.363 1.00 0.75 H new ATOM 0 HG3 GLU B 27 10.962 17.782 -1.978 1.00 0.75 H new ATOM 1543 N ASP B 28 12.672 14.213 0.703 1.00 0.38 N ATOM 1544 CA ASP B 28 13.429 13.188 1.411 1.00 0.39 C ATOM 1545 C ASP B 28 12.552 11.963 1.631 1.00 0.34 C ATOM 1546 O ASP B 28 12.970 10.829 1.386 1.00 0.38 O ATOM 1547 CB ASP B 28 13.936 13.718 2.752 1.00 0.46 C ATOM 1548 CG ASP B 28 14.828 12.721 3.466 1.00 1.00 C ATOM 1549 OD1 ASP B 28 16.054 12.742 3.232 1.00 1.64 O ATOM 1550 OD2 ASP B 28 14.314 11.921 4.271 1.00 1.84 O ATOM 0 H ASP B 28 12.452 15.039 1.259 1.00 0.38 H new ATOM 0 HA ASP B 28 14.292 12.911 0.805 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.488 14.644 2.589 1.00 0.46 H new ATOM 0 HB3 ASP B 28 13.085 13.962 3.389 1.00 0.46 H new ATOM 1555 N GLY B 29 11.324 12.209 2.077 1.00 0.30 N ATOM 1556 CA GLY B 29 10.363 11.138 2.233 1.00 0.30 C ATOM 1557 C GLY B 29 9.986 10.528 0.899 1.00 0.26 C ATOM 1558 O GLY B 29 9.791 9.318 0.794 1.00 0.24 O ATOM 0 H GLY B 29 10.979 13.134 2.333 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.779 10.367 2.882 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.468 11.520 2.725 1.00 0.30 H new ATOM 1562 N ALA B 30 9.881 11.375 -0.122 1.00 0.24 N ATOM 1563 CA ALA B 30 9.601 10.924 -1.479 1.00 0.23 C ATOM 1564 C ALA B 30 10.637 9.910 -1.945 1.00 0.22 C ATOM 1565 O ALA B 30 10.291 8.897 -2.551 1.00 0.21 O ATOM 1566 CB ALA B 30 9.554 12.108 -2.433 1.00 0.24 C ATOM 0 H ALA B 30 9.987 12.385 -0.032 1.00 0.24 H new ATOM 0 HA ALA B 30 8.627 10.436 -1.477 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.344 11.754 -3.442 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.770 12.797 -2.120 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.515 12.623 -2.422 1.00 0.24 H new ATOM 1572 N ASP B 31 11.906 10.177 -1.656 1.00 0.24 N ATOM 1573 CA ASP B 31 12.977 9.244 -1.994 1.00 0.25 C ATOM 1574 C ASP B 31 12.748 7.899 -1.317 1.00 0.24 C ATOM 1575 O ASP B 31 12.858 6.845 -1.949 1.00 0.23 O ATOM 1576 CB ASP B 31 14.340 9.801 -1.580 1.00 0.31 C ATOM 1577 CG ASP B 31 15.442 8.766 -1.697 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.898 8.492 -2.827 1.00 1.47 O ATOM 1579 OD2 ASP B 31 15.851 8.211 -0.655 1.00 1.34 O ATOM 0 H ASP B 31 12.218 11.029 -1.190 1.00 0.24 H new ATOM 0 HA ASP B 31 12.969 9.107 -3.075 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.584 10.661 -2.204 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.287 10.158 -0.552 1.00 0.31 H new ATOM 1584 N SER B 32 12.407 7.943 -0.035 1.00 0.24 N ATOM 1585 CA SER B 32 12.128 6.736 0.723 1.00 0.24 C ATOM 1586 C SER B 32 10.936 5.981 0.126 1.00 0.20 C ATOM 1587 O SER B 32 10.904 4.754 0.130 1.00 0.23 O ATOM 1588 CB SER B 32 11.866 7.084 2.187 1.00 0.26 C ATOM 1589 OG SER B 32 12.938 7.842 2.730 1.00 0.92 O ATOM 0 H SER B 32 12.318 8.806 0.501 1.00 0.24 H new ATOM 0 HA SER B 32 13.000 6.084 0.669 1.00 0.24 H new ATOM 0 HB2 SER B 32 10.938 7.649 2.270 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.734 6.169 2.764 1.00 0.26 H new ATOM 0 HG SER B 32 13.474 7.273 3.321 1.00 0.92 H new ATOM 1595 N LEU B 33 9.963 6.719 -0.405 1.00 0.17 N ATOM 1596 CA LEU B 33 8.813 6.104 -1.061 1.00 0.15 C ATOM 1597 C LEU B 33 9.219 5.478 -2.389 1.00 0.14 C ATOM 1598 O LEU B 33 8.764 4.388 -2.736 1.00 0.13 O ATOM 1599 CB LEU B 33 7.702 7.130 -1.299 1.00 0.16 C ATOM 1600 CG LEU B 33 7.082 7.737 -0.041 1.00 0.18 C ATOM 1601 CD1 LEU B 33 5.979 8.712 -0.417 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.547 6.646 0.877 1.00 0.19 C ATOM 0 H LEU B 33 9.948 7.739 -0.394 1.00 0.17 H new ATOM 0 HA LEU B 33 8.437 5.324 -0.399 1.00 0.15 H new ATOM 0 HB2 LEU B 33 8.103 7.938 -1.911 1.00 0.16 H new ATOM 0 HB3 LEU B 33 6.911 6.654 -1.879 1.00 0.16 H new ATOM 0 HG LEU B 33 7.857 8.281 0.499 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.545 9.137 0.488 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.394 9.511 -1.031 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.205 8.188 -0.978 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.110 7.101 1.766 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.785 6.070 0.352 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.363 5.985 1.171 1.00 0.19 H new ATOM 1614 N ASN B 34 10.080 6.170 -3.124 1.00 0.15 N ATOM 1615 CA ASN B 34 10.558 5.682 -4.412 1.00 0.16 C ATOM 1616 C ASN B 34 11.271 4.347 -4.261 1.00 0.16 C ATOM 1617 O ASN B 34 10.973 3.393 -4.983 1.00 0.17 O ATOM 1618 CB ASN B 34 11.481 6.703 -5.082 1.00 0.18 C ATOM 1619 CG ASN B 34 10.721 7.734 -5.897 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.460 7.533 -7.080 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.361 8.846 -5.273 1.00 0.21 N ATOM 0 H ASN B 34 10.463 7.074 -2.849 1.00 0.15 H new ATOM 0 HA ASN B 34 9.687 5.537 -5.050 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.069 7.212 -4.318 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.184 6.180 -5.730 1.00 0.18 H new ATOM 0 HD21 ASN B 34 9.849 9.570 -5.777 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.596 8.978 -4.289 1.00 0.21 H new ATOM 1628 N VAL B 35 12.189 4.262 -3.305 1.00 0.18 N ATOM 1629 CA VAL B 35 12.918 3.023 -3.077 1.00 0.20 C ATOM 1630 C VAL B 35 11.998 1.963 -2.476 1.00 0.18 C ATOM 1631 O VAL B 35 12.187 0.768 -2.699 1.00 0.21 O ATOM 1632 CB VAL B 35 14.152 3.224 -2.171 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.084 4.266 -2.764 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.746 3.617 -0.760 1.00 0.23 C ATOM 0 H VAL B 35 12.443 5.028 -2.682 1.00 0.18 H new ATOM 0 HA VAL B 35 13.277 2.684 -4.049 1.00 0.20 H new ATOM 0 HB VAL B 35 14.681 2.273 -2.114 1.00 0.23 H new ATOM 0 HG11 VAL B 35 15.948 4.394 -2.112 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.418 3.938 -3.748 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.556 5.215 -2.858 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.638 3.751 -0.149 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.183 4.550 -0.790 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.125 2.832 -0.328 1.00 0.23 H new ATOM 1644 N ALA B 36 10.992 2.407 -1.726 1.00 0.17 N ATOM 1645 CA ALA B 36 9.999 1.502 -1.168 1.00 0.17 C ATOM 1646 C ALA B 36 9.222 0.823 -2.285 1.00 0.15 C ATOM 1647 O ALA B 36 9.133 -0.403 -2.330 1.00 0.16 O ATOM 1648 CB ALA B 36 9.050 2.244 -0.242 1.00 0.18 C ATOM 0 H ALA B 36 10.846 3.389 -1.492 1.00 0.17 H new ATOM 0 HA ALA B 36 10.518 0.741 -0.585 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.317 1.546 0.163 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.615 2.691 0.576 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.536 3.027 -0.799 1.00 0.18 H new ATOM 1654 N MET B 37 8.678 1.628 -3.195 1.00 0.14 N ATOM 1655 CA MET B 37 7.944 1.114 -4.340 1.00 0.15 C ATOM 1656 C MET B 37 8.819 0.194 -5.173 1.00 0.15 C ATOM 1657 O MET B 37 8.348 -0.807 -5.712 1.00 0.18 O ATOM 1658 CB MET B 37 7.445 2.266 -5.208 1.00 0.16 C ATOM 1659 CG MET B 37 6.416 3.152 -4.528 1.00 0.16 C ATOM 1660 SD MET B 37 5.786 4.445 -5.616 1.00 0.21 S ATOM 1661 CE MET B 37 7.265 5.411 -5.917 1.00 0.19 C ATOM 0 H MET B 37 8.735 2.646 -3.157 1.00 0.14 H new ATOM 0 HA MET B 37 7.092 0.546 -3.967 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.296 2.878 -5.506 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.011 1.858 -6.121 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.585 2.537 -4.181 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.863 3.611 -3.646 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.023 6.256 -6.561 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.659 5.778 -4.969 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.014 4.787 -6.404 1.00 0.19 H new ATOM 1671 N ASP B 38 10.096 0.542 -5.275 1.00 0.18 N ATOM 1672 CA ASP B 38 11.056 -0.269 -6.009 1.00 0.23 C ATOM 1673 C ASP B 38 11.196 -1.646 -5.375 1.00 0.19 C ATOM 1674 O ASP B 38 11.201 -2.660 -6.068 1.00 0.23 O ATOM 1675 CB ASP B 38 12.418 0.424 -6.057 1.00 0.34 C ATOM 1676 CG ASP B 38 13.450 -0.387 -6.809 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.404 -0.410 -8.054 1.00 1.68 O ATOM 1678 OD2 ASP B 38 14.318 -1.002 -6.157 1.00 1.42 O ATOM 0 H ASP B 38 10.491 1.384 -4.856 1.00 0.18 H new ATOM 0 HA ASP B 38 10.686 -0.390 -7.027 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.310 1.399 -6.531 1.00 0.34 H new ATOM 0 HB3 ASP B 38 12.769 0.601 -5.040 1.00 0.34 H new ATOM 1683 N CYS B 39 11.284 -1.676 -4.053 1.00 0.18 N ATOM 1684 CA CYS B 39 11.404 -2.928 -3.319 1.00 0.18 C ATOM 1685 C CYS B 39 10.101 -3.726 -3.385 1.00 0.16 C ATOM 1686 O CYS B 39 10.120 -4.955 -3.439 1.00 0.19 O ATOM 1687 CB CYS B 39 11.790 -2.651 -1.867 1.00 0.21 C ATOM 1688 SG CYS B 39 13.355 -1.765 -1.685 1.00 0.27 S ATOM 0 H CYS B 39 11.274 -0.843 -3.464 1.00 0.18 H new ATOM 0 HA CYS B 39 12.189 -3.526 -3.783 1.00 0.18 H new ATOM 0 HB2 CYS B 39 10.998 -2.071 -1.394 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.855 -3.598 -1.331 1.00 0.21 H new ATOM 0 HG CYS B 39 13.203 -0.532 -2.068 1.00 0.27 H new ATOM 1694 N ILE B 40 8.973 -3.023 -3.397 1.00 0.14 N ATOM 1695 CA ILE B 40 7.671 -3.666 -3.542 1.00 0.14 C ATOM 1696 C ILE B 40 7.567 -4.327 -4.913 1.00 0.16 C ATOM 1697 O ILE B 40 7.207 -5.501 -5.030 1.00 0.16 O ATOM 1698 CB ILE B 40 6.515 -2.654 -3.372 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.538 -2.051 -1.966 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.172 -3.322 -3.645 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.530 -0.939 -1.761 1.00 0.16 C ATOM 0 H ILE B 40 8.934 -2.008 -3.308 1.00 0.14 H new ATOM 0 HA ILE B 40 7.584 -4.419 -2.758 1.00 0.14 H new ATOM 0 HB ILE B 40 6.651 -1.851 -4.096 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.347 -2.840 -1.239 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.537 -1.665 -1.763 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.371 -2.593 -3.520 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.157 -3.706 -4.665 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.026 -4.145 -2.945 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.606 -0.562 -0.741 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.733 -0.130 -2.463 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.524 -1.324 -1.931 1.00 0.16 H new ATOM 1713 N SER B 41 7.913 -3.566 -5.943 1.00 0.21 N ATOM 1714 CA SER B 41 7.888 -4.060 -7.310 1.00 0.28 C ATOM 1715 C SER B 41 8.898 -5.189 -7.487 1.00 0.30 C ATOM 1716 O SER B 41 8.662 -6.138 -8.233 1.00 0.34 O ATOM 1717 CB SER B 41 8.184 -2.913 -8.277 1.00 0.37 C ATOM 1718 OG SER B 41 7.315 -1.817 -8.037 1.00 1.13 O ATOM 0 H SER B 41 8.216 -2.596 -5.854 1.00 0.21 H new ATOM 0 HA SER B 41 6.897 -4.457 -7.528 1.00 0.28 H new ATOM 0 HB2 SER B 41 9.220 -2.594 -8.164 1.00 0.37 H new ATOM 0 HB3 SER B 41 8.067 -3.258 -9.304 1.00 0.37 H new ATOM 0 HG SER B 41 7.602 -1.342 -7.229 1.00 1.13 H new ATOM 1724 N GLU B 42 10.016 -5.074 -6.783 1.00 0.32 N ATOM 1725 CA GLU B 42 11.051 -6.099 -6.786 1.00 0.38 C ATOM 1726 C GLU B 42 10.516 -7.413 -6.222 1.00 0.32 C ATOM 1727 O GLU B 42 10.780 -8.482 -6.767 1.00 0.44 O ATOM 1728 CB GLU B 42 12.250 -5.624 -5.961 1.00 0.46 C ATOM 1729 CG GLU B 42 13.396 -6.618 -5.903 1.00 0.60 C ATOM 1730 CD GLU B 42 14.552 -6.114 -5.066 1.00 1.45 C ATOM 1731 OE1 GLU B 42 15.425 -5.407 -5.612 1.00 2.23 O ATOM 1732 OE2 GLU B 42 14.595 -6.423 -3.859 1.00 2.00 O ATOM 0 H GLU B 42 10.231 -4.269 -6.195 1.00 0.32 H new ATOM 0 HA GLU B 42 11.365 -6.272 -7.815 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.617 -4.687 -6.380 1.00 0.46 H new ATOM 0 HB3 GLU B 42 11.917 -5.410 -4.945 1.00 0.46 H new ATOM 0 HG2 GLU B 42 13.036 -7.561 -5.491 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.746 -6.825 -6.914 1.00 0.60 H new ATOM 1739 N ALA B 43 9.750 -7.311 -5.143 1.00 0.19 N ATOM 1740 CA ALA B 43 9.227 -8.478 -4.444 1.00 0.17 C ATOM 1741 C ALA B 43 8.279 -9.292 -5.319 1.00 0.17 C ATOM 1742 O ALA B 43 8.437 -10.502 -5.458 1.00 0.25 O ATOM 1743 CB ALA B 43 8.520 -8.047 -3.170 1.00 0.20 C ATOM 0 H ALA B 43 9.475 -6.420 -4.729 1.00 0.19 H new ATOM 0 HA ALA B 43 10.073 -9.118 -4.194 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.132 -8.925 -2.654 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.224 -7.527 -2.521 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.695 -7.379 -3.420 1.00 0.20 H new ATOM 1749 N PHE B 44 7.294 -8.627 -5.908 1.00 0.19 N ATOM 1750 CA PHE B 44 6.276 -9.328 -6.682 1.00 0.25 C ATOM 1751 C PHE B 44 6.660 -9.433 -8.154 1.00 0.30 C ATOM 1752 O PHE B 44 5.996 -10.112 -8.934 1.00 0.35 O ATOM 1753 CB PHE B 44 4.918 -8.641 -6.535 1.00 0.27 C ATOM 1754 CG PHE B 44 4.433 -8.571 -5.117 1.00 0.26 C ATOM 1755 CD1 PHE B 44 3.790 -9.650 -4.538 1.00 1.15 C ATOM 1756 CD2 PHE B 44 4.626 -7.425 -4.360 1.00 1.10 C ATOM 1757 CE1 PHE B 44 3.347 -9.590 -3.232 1.00 1.15 C ATOM 1758 CE2 PHE B 44 4.185 -7.359 -3.055 1.00 1.12 C ATOM 1759 CZ PHE B 44 3.544 -8.443 -2.489 1.00 0.31 C ATOM 0 H PHE B 44 7.178 -7.615 -5.866 1.00 0.19 H new ATOM 0 HA PHE B 44 6.203 -10.340 -6.284 1.00 0.25 H new ATOM 0 HB2 PHE B 44 4.986 -7.630 -6.938 1.00 0.27 H new ATOM 0 HB3 PHE B 44 4.182 -9.175 -7.136 1.00 0.27 H new ATOM 0 HD1 PHE B 44 3.633 -10.550 -5.114 1.00 1.15 H new ATOM 0 HD2 PHE B 44 5.127 -6.574 -4.798 1.00 1.10 H new ATOM 0 HE1 PHE B 44 2.847 -10.440 -2.792 1.00 1.15 H new ATOM 0 HE2 PHE B 44 4.341 -6.460 -2.476 1.00 1.12 H new ATOM 0 HZ PHE B 44 3.197 -8.394 -1.467 1.00 0.31 H new ATOM 1769 N GLY B 45 7.740 -8.752 -8.521 1.00 0.29 N ATOM 1770 CA GLY B 45 8.248 -8.818 -9.879 1.00 0.35 C ATOM 1771 C GLY B 45 7.352 -8.125 -10.887 1.00 0.37 C ATOM 1772 O GLY B 45 6.905 -8.743 -11.853 1.00 0.43 O ATOM 0 H GLY B 45 8.277 -8.150 -7.896 1.00 0.29 H new ATOM 0 HA2 GLY B 45 9.239 -8.365 -9.912 1.00 0.35 H new ATOM 0 HA3 GLY B 45 8.366 -9.863 -10.165 1.00 0.35 H new ATOM 1776 N PHE B 46 7.091 -6.844 -10.676 1.00 0.36 N ATOM 1777 CA PHE B 46 6.258 -6.084 -11.598 1.00 0.39 C ATOM 1778 C PHE B 46 6.795 -4.667 -11.756 1.00 0.39 C ATOM 1779 O PHE B 46 7.697 -4.251 -11.030 1.00 0.40 O ATOM 1780 CB PHE B 46 4.795 -6.060 -11.123 1.00 0.36 C ATOM 1781 CG PHE B 46 4.543 -5.247 -9.879 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.897 -5.729 -8.631 1.00 1.27 C ATOM 1783 CD2 PHE B 46 3.934 -4.005 -9.962 1.00 1.17 C ATOM 1784 CE1 PHE B 46 4.650 -4.989 -7.489 1.00 1.26 C ATOM 1785 CE2 PHE B 46 3.687 -3.259 -8.827 1.00 1.17 C ATOM 1786 CZ PHE B 46 4.045 -3.752 -7.588 1.00 0.21 C ATOM 0 H PHE B 46 7.441 -6.311 -9.880 1.00 0.36 H new ATOM 0 HA PHE B 46 6.289 -6.576 -12.570 1.00 0.39 H new ATOM 0 HB2 PHE B 46 4.174 -5.667 -11.928 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.471 -7.085 -10.941 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.372 -6.695 -8.548 1.00 1.27 H new ATOM 0 HD2 PHE B 46 3.649 -3.615 -10.928 1.00 1.17 H new ATOM 0 HE1 PHE B 46 4.930 -5.378 -6.521 1.00 1.26 H new ATOM 0 HE2 PHE B 46 3.214 -2.291 -8.908 1.00 1.17 H new ATOM 0 HZ PHE B 46 3.852 -3.171 -6.698 1.00 0.21 H new ATOM 1796 N GLU B 47 6.248 -3.944 -12.722 1.00 0.41 N ATOM 1797 CA GLU B 47 6.641 -2.564 -12.980 1.00 0.44 C ATOM 1798 C GLU B 47 5.617 -1.620 -12.368 1.00 0.40 C ATOM 1799 O GLU B 47 4.439 -1.963 -12.261 1.00 0.39 O ATOM 1800 CB GLU B 47 6.734 -2.327 -14.485 1.00 0.53 C ATOM 1801 CG GLU B 47 7.819 -3.145 -15.163 1.00 0.59 C ATOM 1802 CD GLU B 47 7.760 -3.043 -16.671 1.00 1.14 C ATOM 1803 OE1 GLU B 47 8.267 -2.049 -17.228 1.00 1.55 O ATOM 1804 OE2 GLU B 47 7.187 -3.946 -17.307 1.00 1.92 O ATOM 0 H GLU B 47 5.522 -4.294 -13.347 1.00 0.41 H new ATOM 0 HA GLU B 47 7.616 -2.375 -12.530 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.773 -2.564 -14.942 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.921 -1.269 -14.667 1.00 0.53 H new ATOM 0 HG2 GLU B 47 8.795 -2.807 -14.817 1.00 0.59 H new ATOM 0 HG3 GLU B 47 7.721 -4.190 -14.868 1.00 0.59 H new ATOM 1811 N ARG B 48 6.051 -0.413 -12.015 1.00 0.41 N ATOM 1812 CA ARG B 48 5.198 0.517 -11.284 1.00 0.40 C ATOM 1813 C ARG B 48 4.224 1.189 -12.239 1.00 0.41 C ATOM 1814 O ARG B 48 3.225 1.768 -11.825 1.00 0.43 O ATOM 1815 CB ARG B 48 6.036 1.586 -10.571 1.00 0.44 C ATOM 1816 CG ARG B 48 7.185 1.023 -9.748 1.00 0.61 C ATOM 1817 CD ARG B 48 7.858 2.097 -8.904 1.00 0.91 C ATOM 1818 NE ARG B 48 8.174 3.304 -9.671 1.00 1.19 N ATOM 1819 CZ ARG B 48 9.331 3.967 -9.591 1.00 1.88 C ATOM 1820 NH1 ARG B 48 10.338 3.485 -8.869 1.00 2.57 N ATOM 1821 NH2 ARG B 48 9.488 5.099 -10.262 1.00 2.20 N ATOM 0 H ARG B 48 6.984 -0.058 -12.223 1.00 0.41 H new ATOM 0 HA ARG B 48 4.644 -0.048 -10.534 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.438 2.274 -11.315 1.00 0.44 H new ATOM 0 HB3 ARG B 48 5.385 2.167 -9.918 1.00 0.44 H new ATOM 0 HG2 ARG B 48 6.812 0.231 -9.098 1.00 0.61 H new ATOM 0 HG3 ARG B 48 7.920 0.570 -10.413 1.00 0.61 H new ATOM 0 HD2 ARG B 48 7.206 2.361 -8.072 1.00 0.91 H new ATOM 0 HD3 ARG B 48 8.775 1.694 -8.475 1.00 0.91 H new ATOM 0 HE ARG B 48 7.463 3.662 -10.309 1.00 1.19 H new ATOM 0 HH11 ARG B 48 10.231 2.602 -8.370 1.00 2.57 H new ATOM 0 HH12 ARG B 48 11.218 3.998 -8.814 1.00 2.57 H new ATOM 0 HH21 ARG B 48 8.727 5.461 -10.837 1.00 2.20 H new ATOM 0 HH22 ARG B 48 10.370 5.608 -10.204 1.00 2.20 H new ATOM 1835 N GLU B 49 4.538 1.114 -13.526 1.00 0.42 N ATOM 1836 CA GLU B 49 3.684 1.677 -14.559 1.00 0.46 C ATOM 1837 C GLU B 49 2.722 0.621 -15.095 1.00 0.43 C ATOM 1838 O GLU B 49 1.849 0.916 -15.907 1.00 0.46 O ATOM 1839 CB GLU B 49 4.533 2.249 -15.694 1.00 0.57 C ATOM 1840 CG GLU B 49 5.373 3.447 -15.278 1.00 1.14 C ATOM 1841 CD GLU B 49 6.240 3.968 -16.402 1.00 1.54 C ATOM 1842 OE1 GLU B 49 5.686 4.508 -17.384 1.00 2.04 O ATOM 1843 OE2 GLU B 49 7.477 3.835 -16.318 1.00 2.24 O ATOM 0 H GLU B 49 5.383 0.666 -13.879 1.00 0.42 H new ATOM 0 HA GLU B 49 3.097 2.484 -14.120 1.00 0.46 H new ATOM 0 HB2 GLU B 49 5.191 1.468 -16.074 1.00 0.57 H new ATOM 0 HB3 GLU B 49 3.878 2.542 -16.515 1.00 0.57 H new ATOM 0 HG2 GLU B 49 4.715 4.244 -14.932 1.00 1.14 H new ATOM 0 HG3 GLU B 49 6.006 3.167 -14.436 1.00 1.14 H new ATOM 1850 N ALA B 50 2.882 -0.610 -14.626 1.00 0.41 N ATOM 1851 CA ALA B 50 2.020 -1.705 -15.051 1.00 0.42 C ATOM 1852 C ALA B 50 0.783 -1.786 -14.165 1.00 0.37 C ATOM 1853 O ALA B 50 -0.080 -2.642 -14.357 1.00 0.41 O ATOM 1854 CB ALA B 50 2.784 -3.020 -15.021 1.00 0.48 C ATOM 0 H ALA B 50 3.600 -0.875 -13.952 1.00 0.41 H new ATOM 0 HA ALA B 50 1.697 -1.515 -16.074 1.00 0.42 H new ATOM 0 HB1 ALA B 50 2.128 -3.829 -15.341 1.00 0.48 H new ATOM 0 HB2 ALA B 50 3.640 -2.959 -15.694 1.00 0.48 H new ATOM 0 HB3 ALA B 50 3.133 -3.215 -14.007 1.00 0.48 H new ATOM 1860 N VAL B 51 0.722 -0.886 -13.185 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.402 -0.814 -12.254 1.00 0.31 C ATOM 1862 C VAL B 51 -1.752 -0.797 -12.964 1.00 0.36 C ATOM 1863 O VAL B 51 -2.700 -1.399 -12.481 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.306 0.416 -11.326 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.845 0.255 -10.351 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.154 1.702 -12.127 1.00 0.33 C ATOM 0 H VAL B 51 1.447 -0.189 -13.015 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.338 -1.722 -11.654 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.235 0.484 -10.761 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.899 1.131 -9.704 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.685 -0.636 -9.744 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.779 0.154 -10.904 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.089 2.550 -11.445 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.753 1.650 -12.729 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.017 1.828 -12.781 1.00 0.33 H new ATOM 1876 N SER B 52 -1.834 -0.129 -14.109 1.00 0.37 N ATOM 1877 CA SER B 52 -3.083 -0.040 -14.858 1.00 0.45 C ATOM 1878 C SER B 52 -3.645 -1.430 -15.165 1.00 0.47 C ATOM 1879 O SER B 52 -4.784 -1.742 -14.809 1.00 0.50 O ATOM 1880 CB SER B 52 -2.843 0.738 -16.151 1.00 0.53 C ATOM 1881 OG SER B 52 -1.646 0.311 -16.781 1.00 1.25 O ATOM 0 H SER B 52 -1.049 0.360 -14.540 1.00 0.37 H new ATOM 0 HA SER B 52 -3.820 0.485 -14.250 1.00 0.45 H new ATOM 0 HB2 SER B 52 -3.686 0.597 -16.828 1.00 0.53 H new ATOM 0 HB3 SER B 52 -2.784 1.804 -15.933 1.00 0.53 H new ATOM 0 HG SER B 52 -1.512 0.820 -17.608 1.00 1.25 H new ATOM 1887 N GLY B 53 -2.834 -2.245 -15.828 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.210 -3.615 -16.135 1.00 0.57 C ATOM 1889 C GLY B 53 -3.656 -4.404 -14.914 1.00 0.54 C ATOM 1890 O GLY B 53 -4.634 -5.149 -14.975 1.00 0.59 O ATOM 0 H GLY B 53 -1.909 -1.977 -16.164 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.016 -3.608 -16.869 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.363 -4.122 -16.597 1.00 0.57 H new ATOM 1894 N ILE B 54 -2.949 -4.236 -13.805 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.259 -4.977 -12.585 1.00 0.51 C ATOM 1896 C ILE B 54 -4.503 -4.413 -11.893 1.00 0.50 C ATOM 1897 O ILE B 54 -5.365 -5.159 -11.434 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.074 -4.961 -11.597 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -0.794 -5.435 -12.294 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.383 -5.844 -10.395 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.443 -5.357 -11.424 1.00 0.48 C ATOM 0 H ILE B 54 -2.159 -3.596 -13.722 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.454 -6.007 -12.884 1.00 0.51 H new ATOM 0 HB ILE B 54 -1.920 -3.939 -11.249 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -0.931 -6.465 -12.622 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -0.635 -4.834 -13.189 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.540 -5.826 -9.704 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.275 -5.472 -9.890 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -2.556 -6.867 -10.730 1.00 0.55 H new ATOM 0 HD11 ILE B 54 1.307 -5.709 -11.988 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.607 -4.324 -11.116 1.00 0.48 H new ATOM 0 HD13 ILE B 54 0.307 -5.981 -10.541 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.590 -3.096 -11.820 1.00 0.46 N ATOM 1914 CA LEU B 55 -5.728 -2.435 -11.194 1.00 0.48 C ATOM 1915 C LEU B 55 -7.005 -2.687 -11.984 1.00 0.55 C ATOM 1916 O LEU B 55 -8.059 -2.939 -11.405 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.468 -0.935 -11.042 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.330 -0.581 -10.081 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.127 0.924 -10.015 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.609 -1.150 -8.698 1.00 0.45 C ATOM 0 H LEU B 55 -3.884 -2.458 -12.188 1.00 0.46 H new ATOM 0 HA LEU B 55 -5.859 -2.859 -10.198 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.241 -0.517 -12.023 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.382 -0.454 -10.695 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.410 -1.027 -10.458 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.314 1.152 -9.326 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -3.879 1.302 -11.007 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.043 1.400 -9.664 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.791 -0.890 -8.026 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.540 -0.734 -8.314 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.696 -2.235 -8.762 1.00 0.45 H new