USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 8 SER OG : rot 180:sc= -0.203 USER MOD Single : A 11 LYS NZ :NH3+ -129:sc= -1.38 (180deg=-1.62) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -0.0802 (180deg=-0.46) USER MOD Single : A 19 MET CE :methyl -153:sc= -0.482 (180deg=-1.86!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.115 K(o=-0.12,f=-2.2!) USER MOD Single : A 28 GLN : amide:sc=-0.00217 X(o=-0.0022,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.61!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.3) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.515 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 7.557 15.475 -2.206 1.00 0.00 N ATOM 67 CA SER A 8 6.764 15.004 -1.077 1.00 0.00 C ATOM 68 C SER A 8 5.409 14.481 -1.544 1.00 0.00 C ATOM 69 O SER A 8 4.965 13.413 -1.123 1.00 0.00 O ATOM 70 CB SER A 8 6.565 16.130 -0.060 1.00 0.00 C ATOM 71 OG SER A 8 6.351 15.610 1.241 1.00 0.00 O ATOM 0 HA SER A 8 7.306 14.186 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.440 16.780 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.714 16.744 -0.354 1.00 0.00 H new ATOM 0 HG SER A 8 6.228 16.349 1.873 1.00 0.00 H new ATOM 77 N ILE A 9 4.758 15.242 -2.418 1.00 0.00 N ATOM 78 CA ILE A 9 3.455 14.856 -2.944 1.00 0.00 C ATOM 79 C ILE A 9 3.547 13.563 -3.748 1.00 0.00 C ATOM 80 O ILE A 9 2.783 12.624 -3.523 1.00 0.00 O ATOM 81 CB ILE A 9 2.858 15.961 -3.836 1.00 0.00 C ATOM 82 CG1 ILE A 9 2.663 17.247 -3.031 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.538 15.501 -4.437 1.00 0.00 C ATOM 84 CD1 ILE A 9 1.647 18.190 -3.635 1.00 0.00 C ATOM 0 H ILE A 9 5.112 16.129 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 9 2.802 14.701 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 9 3.554 16.166 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.350 16.989 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.620 17.762 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.129 16.293 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.704 14.609 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.834 15.272 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.561 19.080 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.968 18.478 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.679 17.693 -3.694 1.00 0.00 H new ATOM 96 N LEU A 10 4.489 13.522 -4.683 1.00 0.00 N ATOM 97 CA LEU A 10 4.685 12.343 -5.521 1.00 0.00 C ATOM 98 C LEU A 10 4.869 11.093 -4.666 1.00 0.00 C ATOM 99 O LEU A 10 4.165 10.098 -4.840 1.00 0.00 O ATOM 100 CB LEU A 10 5.897 12.536 -6.432 1.00 0.00 C ATOM 101 CG LEU A 10 5.656 13.343 -7.708 1.00 0.00 C ATOM 102 CD1 LEU A 10 5.436 14.811 -7.377 1.00 0.00 C ATOM 103 CD2 LEU A 10 6.823 13.180 -8.671 1.00 0.00 C ATOM 0 H LEU A 10 5.129 14.291 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 10 3.795 12.212 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.683 13.027 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.275 11.553 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 10 4.757 12.962 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.266 15.370 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.567 14.911 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.317 15.206 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.634 13.761 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.738 13.534 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.934 12.128 -8.934 1.00 0.00 H new ATOM 115 N LYS A 11 5.821 11.151 -3.740 1.00 0.00 N ATOM 116 CA LYS A 11 6.097 10.026 -2.854 1.00 0.00 C ATOM 117 C LYS A 11 4.815 9.271 -2.518 1.00 0.00 C ATOM 118 O LYS A 11 4.675 8.092 -2.845 1.00 0.00 O ATOM 119 CB LYS A 11 6.767 10.515 -1.568 1.00 0.00 C ATOM 120 CG LYS A 11 7.657 9.474 -0.913 1.00 0.00 C ATOM 121 CD LYS A 11 8.585 10.101 0.114 1.00 0.00 C ATOM 122 CE LYS A 11 7.809 10.674 1.290 1.00 0.00 C ATOM 123 NZ LYS A 11 8.607 11.679 2.046 1.00 0.00 N ATOM 0 H LYS A 11 6.414 11.966 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 11 6.773 9.345 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.362 11.400 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.996 10.820 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.039 8.716 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.247 8.966 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.291 9.352 0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.170 10.891 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.891 11.137 0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.515 9.866 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.592 11.443 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.589 11.672 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.198 12.625 1.905 1.00 0.00 H new ATOM 137 N ILE A 12 3.884 9.957 -1.865 1.00 0.00 N ATOM 138 CA ILE A 12 2.614 9.351 -1.487 1.00 0.00 C ATOM 139 C ILE A 12 1.987 8.609 -2.663 1.00 0.00 C ATOM 140 O ILE A 12 1.620 7.440 -2.547 1.00 0.00 O ATOM 141 CB ILE A 12 1.618 10.406 -0.971 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.213 11.163 0.218 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.302 9.747 -0.581 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.355 12.314 0.694 1.00 0.00 C ATOM 0 H ILE A 12 3.985 10.933 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 12 2.828 8.643 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 12 1.422 11.120 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.362 10.467 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.196 11.544 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.391 10.506 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.127 9.249 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.481 9.014 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.839 12.804 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.226 13.031 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.380 11.937 1.003 1.00 0.00 H new ATOM 156 N GLU A 13 1.869 9.297 -3.794 1.00 0.00 N ATOM 157 CA GLU A 13 1.287 8.702 -4.993 1.00 0.00 C ATOM 158 C GLU A 13 1.958 7.371 -5.319 1.00 0.00 C ATOM 159 O GLU A 13 1.349 6.487 -5.921 1.00 0.00 O ATOM 160 CB GLU A 13 1.420 9.659 -6.179 1.00 0.00 C ATOM 161 CG GLU A 13 0.308 10.690 -6.257 1.00 0.00 C ATOM 162 CD GLU A 13 -0.987 10.113 -6.793 1.00 0.00 C ATOM 163 OE1 GLU A 13 -0.936 9.382 -7.805 1.00 0.00 O ATOM 164 OE2 GLU A 13 -2.051 10.391 -6.201 1.00 0.00 O ATOM 0 H GLU A 13 2.168 10.266 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 13 0.230 8.518 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.378 10.175 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.433 9.080 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.133 11.105 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.626 11.514 -6.896 1.00 0.00 H new ATOM 171 N LYS A 14 3.218 7.237 -4.918 1.00 0.00 N ATOM 172 CA LYS A 14 3.973 6.014 -5.167 1.00 0.00 C ATOM 173 C LYS A 14 3.450 4.867 -4.309 1.00 0.00 C ATOM 174 O LYS A 14 3.186 3.774 -4.809 1.00 0.00 O ATOM 175 CB LYS A 14 5.460 6.242 -4.883 1.00 0.00 C ATOM 176 CG LYS A 14 6.000 7.536 -5.468 1.00 0.00 C ATOM 177 CD LYS A 14 6.531 7.331 -6.877 1.00 0.00 C ATOM 178 CE LYS A 14 6.390 8.594 -7.715 1.00 0.00 C ATOM 179 NZ LYS A 14 6.311 8.288 -9.170 1.00 0.00 N ATOM 0 H LYS A 14 3.738 7.960 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 14 3.847 5.746 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.619 6.247 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.031 5.405 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.211 8.288 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.796 7.921 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.580 7.038 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.991 6.514 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.495 9.135 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.239 9.251 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.216 9.174 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.176 7.794 -9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.486 7.682 -9.353 1.00 0.00 H new ATOM 193 N VAL A 15 3.303 5.124 -3.013 1.00 0.00 N ATOM 194 CA VAL A 15 2.808 4.114 -2.084 1.00 0.00 C ATOM 195 C VAL A 15 1.491 3.518 -2.570 1.00 0.00 C ATOM 196 O VAL A 15 1.228 2.330 -2.379 1.00 0.00 O ATOM 197 CB VAL A 15 2.605 4.698 -0.674 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.075 3.634 0.274 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.905 5.292 -0.151 1.00 0.00 C ATOM 0 H VAL A 15 3.520 6.023 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 15 3.564 3.330 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 15 1.866 5.497 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.938 4.066 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.119 3.261 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.787 2.811 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.743 5.700 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.668 4.515 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.236 6.087 -0.819 1.00 0.00 H new ATOM 209 N LEU A 16 0.669 4.350 -3.200 1.00 0.00 N ATOM 210 CA LEU A 16 -0.621 3.905 -3.714 1.00 0.00 C ATOM 211 C LEU A 16 -0.468 3.270 -5.093 1.00 0.00 C ATOM 212 O LEU A 16 -1.100 2.258 -5.395 1.00 0.00 O ATOM 213 CB LEU A 16 -1.597 5.082 -3.788 1.00 0.00 C ATOM 214 CG LEU A 16 -2.024 5.684 -2.449 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.899 6.908 -2.669 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.755 4.647 -1.608 1.00 0.00 C ATOM 0 H LEU A 16 0.873 5.335 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.017 3.155 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.141 5.869 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.491 4.754 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.129 5.995 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.193 7.323 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.342 7.657 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.790 6.623 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.052 5.092 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.642 4.305 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.095 3.800 -1.421 1.00 0.00 H new ATOM 228 N LYS A 17 0.376 3.871 -5.925 1.00 0.00 N ATOM 229 CA LYS A 17 0.616 3.362 -7.270 1.00 0.00 C ATOM 230 C LYS A 17 0.789 1.847 -7.257 1.00 0.00 C ATOM 231 O LYS A 17 0.144 1.133 -8.024 1.00 0.00 O ATOM 232 CB LYS A 17 1.858 4.023 -7.872 1.00 0.00 C ATOM 233 CG LYS A 17 1.803 4.156 -9.384 1.00 0.00 C ATOM 234 CD LYS A 17 3.191 4.099 -10.000 1.00 0.00 C ATOM 235 CE LYS A 17 3.815 5.482 -10.098 1.00 0.00 C ATOM 236 NZ LYS A 17 3.088 6.352 -11.064 1.00 0.00 N ATOM 0 H LYS A 17 0.905 4.711 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.252 3.604 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.982 5.013 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.738 3.441 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.187 3.358 -9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.324 5.098 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.830 3.452 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.131 3.655 -10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.814 5.951 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.857 5.389 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.732 7.084 -11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.740 5.776 -11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.283 6.804 -10.586 1.00 0.00 H new ATOM 250 N ARG A 18 1.663 1.364 -6.381 1.00 0.00 N ATOM 251 CA ARG A 18 1.921 -0.067 -6.268 1.00 0.00 C ATOM 252 C ARG A 18 0.758 -0.776 -5.581 1.00 0.00 C ATOM 253 O ARG A 18 0.595 -1.989 -5.710 1.00 0.00 O ATOM 254 CB ARG A 18 3.214 -0.314 -5.489 1.00 0.00 C ATOM 255 CG ARG A 18 4.458 -0.329 -6.363 1.00 0.00 C ATOM 256 CD ARG A 18 4.576 0.943 -7.187 1.00 0.00 C ATOM 257 NE ARG A 18 5.897 1.082 -7.794 1.00 0.00 N ATOM 258 CZ ARG A 18 6.419 2.249 -8.157 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.737 3.370 -7.976 1.00 0.00 N ATOM 260 NH2 ARG A 18 7.628 2.294 -8.703 1.00 0.00 N ATOM 0 H ARG A 18 2.205 1.942 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 18 2.028 -0.472 -7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.324 0.459 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.136 -1.267 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.343 -0.441 -5.736 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.427 -1.192 -7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.816 0.940 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.376 1.806 -6.552 1.00 0.00 H new ATOM 0 HE ARG A 18 6.449 0.238 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.808 3.340 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.141 4.264 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.156 1.433 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.029 3.190 -8.982 1.00 0.00 H new ATOM 274 N MET A 19 -0.047 -0.011 -4.850 1.00 0.00 N ATOM 275 CA MET A 19 -1.196 -0.566 -4.144 1.00 0.00 C ATOM 276 C MET A 19 -2.295 -0.967 -5.123 1.00 0.00 C ATOM 277 O MET A 19 -2.946 -1.997 -4.951 1.00 0.00 O ATOM 278 CB MET A 19 -1.739 0.447 -3.135 1.00 0.00 C ATOM 279 CG MET A 19 -2.844 -0.109 -2.250 1.00 0.00 C ATOM 280 SD MET A 19 -4.429 -0.213 -3.104 1.00 0.00 S ATOM 281 CE MET A 19 -4.592 1.461 -3.721 1.00 0.00 C ATOM 0 H MET A 19 0.075 0.995 -4.731 1.00 0.00 H new ATOM 0 HA MET A 19 -0.867 -1.458 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.920 0.794 -2.505 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.118 1.316 -3.673 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.559 -1.101 -1.899 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.951 0.523 -1.368 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.648 1.706 -3.834 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.132 2.155 -3.017 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.095 1.543 -4.688 1.00 0.00 H new ATOM 291 N ARG A 20 -2.495 -0.145 -6.148 1.00 0.00 N ATOM 292 CA ARG A 20 -3.517 -0.414 -7.154 1.00 0.00 C ATOM 293 C ARG A 20 -2.943 -1.231 -8.307 1.00 0.00 C ATOM 294 O ARG A 20 -3.666 -1.624 -9.221 1.00 0.00 O ATOM 295 CB ARG A 20 -4.098 0.898 -7.683 1.00 0.00 C ATOM 296 CG ARG A 20 -3.042 1.934 -8.036 1.00 0.00 C ATOM 297 CD ARG A 20 -3.661 3.159 -8.690 1.00 0.00 C ATOM 298 NE ARG A 20 -3.952 2.938 -10.104 1.00 0.00 N ATOM 299 CZ ARG A 20 -3.013 2.776 -11.030 1.00 0.00 C ATOM 300 NH1 ARG A 20 -1.732 2.809 -10.693 1.00 0.00 N ATOM 301 NH2 ARG A 20 -3.357 2.578 -12.297 1.00 0.00 N ATOM 0 H ARG A 20 -1.964 0.712 -6.304 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.312 -0.992 -6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.699 0.689 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.769 1.317 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.508 2.233 -7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.308 1.492 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.581 3.423 -8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.983 4.006 -8.588 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.929 2.906 -10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.464 2.959 -9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.014 2.684 -11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.342 2.550 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.636 2.454 -13.008 1.00 0.00 H new ATOM 315 N GLU A 21 -1.638 -1.481 -8.257 1.00 0.00 N ATOM 316 CA GLU A 21 -0.968 -2.251 -9.298 1.00 0.00 C ATOM 317 C GLU A 21 -0.730 -3.688 -8.846 1.00 0.00 C ATOM 318 O GLU A 21 -0.994 -4.636 -9.588 1.00 0.00 O ATOM 319 CB GLU A 21 0.363 -1.594 -9.672 1.00 0.00 C ATOM 320 CG GLU A 21 0.238 -0.533 -10.750 1.00 0.00 C ATOM 321 CD GLU A 21 0.386 -1.100 -12.148 1.00 0.00 C ATOM 322 OE1 GLU A 21 1.253 -1.978 -12.345 1.00 0.00 O ATOM 323 OE2 GLU A 21 -0.365 -0.667 -13.047 1.00 0.00 O ATOM 0 H GLU A 21 -1.025 -1.162 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.616 -2.268 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.799 -1.144 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.056 -2.364 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.732 -0.043 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.997 0.233 -10.590 1.00 0.00 H new ATOM 330 N ILE A 22 -0.230 -3.843 -7.624 1.00 0.00 N ATOM 331 CA ILE A 22 0.043 -5.164 -7.073 1.00 0.00 C ATOM 332 C ILE A 22 -1.251 -5.914 -6.776 1.00 0.00 C ATOM 333 O ILE A 22 -1.275 -7.144 -6.742 1.00 0.00 O ATOM 334 CB ILE A 22 0.878 -5.073 -5.782 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.265 -4.505 -6.085 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.991 -6.441 -5.128 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.896 -3.790 -4.911 1.00 0.00 C ATOM 0 H ILE A 22 -0.006 -3.070 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 22 0.611 -5.709 -7.827 1.00 0.00 H new ATOM 0 HB ILE A 22 0.375 -4.400 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.920 -5.317 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.190 -3.813 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.584 -6.361 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.005 -6.810 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.475 -7.134 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.878 -3.414 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.262 -2.956 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.004 -4.484 -4.077 1.00 0.00 H new ATOM 349 N LYS A 23 -2.328 -5.165 -6.564 1.00 0.00 N ATOM 350 CA LYS A 23 -3.628 -5.756 -6.275 1.00 0.00 C ATOM 351 C LYS A 23 -4.263 -6.324 -7.540 1.00 0.00 C ATOM 352 O LYS A 23 -4.837 -7.411 -7.524 1.00 0.00 O ATOM 353 CB LYS A 23 -4.557 -4.714 -5.647 1.00 0.00 C ATOM 354 CG LYS A 23 -5.997 -5.183 -5.517 1.00 0.00 C ATOM 355 CD LYS A 23 -6.917 -4.047 -5.105 1.00 0.00 C ATOM 356 CE LYS A 23 -8.375 -4.482 -5.110 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.997 -4.323 -6.453 1.00 0.00 N ATOM 0 H LYS A 23 -2.325 -4.145 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.478 -6.573 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.179 -4.450 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.532 -3.807 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.333 -5.598 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.055 -5.985 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.643 -3.699 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.785 -3.205 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.444 -5.524 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.932 -3.894 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.990 -4.630 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.954 -3.324 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.482 -4.904 -7.145 1.00 0.00 H new ATOM 371 N ASN A 24 -4.155 -5.578 -8.635 1.00 0.00 N ATOM 372 CA ASN A 24 -4.718 -6.008 -9.911 1.00 0.00 C ATOM 373 C ASN A 24 -3.999 -7.247 -10.433 1.00 0.00 C ATOM 374 O ASN A 24 -4.632 -8.191 -10.903 1.00 0.00 O ATOM 375 CB ASN A 24 -4.623 -4.878 -10.939 1.00 0.00 C ATOM 376 CG ASN A 24 -5.712 -4.963 -11.992 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.683 -5.705 -11.838 1.00 0.00 O ATOM 378 ND2 ASN A 24 -5.554 -4.204 -13.069 1.00 0.00 N ATOM 0 H ASN A 24 -3.684 -4.674 -8.665 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.767 -6.259 -9.752 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.690 -3.918 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.648 -4.913 -11.425 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.253 -4.220 -13.812 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.733 -3.604 -13.154 1.00 0.00 H new ATOM 385 N GLU A 25 -2.673 -7.238 -10.343 1.00 0.00 N ATOM 386 CA GLU A 25 -1.868 -8.362 -10.807 1.00 0.00 C ATOM 387 C GLU A 25 -2.213 -9.633 -10.036 1.00 0.00 C ATOM 388 O GLU A 25 -2.216 -10.731 -10.594 1.00 0.00 O ATOM 389 CB GLU A 25 -0.378 -8.049 -10.656 1.00 0.00 C ATOM 390 CG GLU A 25 0.531 -9.165 -11.142 1.00 0.00 C ATOM 391 CD GLU A 25 1.972 -8.717 -11.299 1.00 0.00 C ATOM 392 OE1 GLU A 25 2.464 -7.986 -10.415 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.605 -9.098 -12.306 1.00 0.00 O ATOM 0 H GLU A 25 -2.133 -6.465 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.092 -8.525 -11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.149 -7.138 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.162 -7.847 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.487 -9.996 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.164 -9.537 -12.098 1.00 0.00 H new ATOM 400 N LEU A 26 -2.502 -9.475 -8.749 1.00 0.00 N ATOM 401 CA LEU A 26 -2.848 -10.609 -7.898 1.00 0.00 C ATOM 402 C LEU A 26 -4.208 -11.184 -8.284 1.00 0.00 C ATOM 403 O LEU A 26 -4.416 -12.397 -8.239 1.00 0.00 O ATOM 404 CB LEU A 26 -2.859 -10.186 -6.429 1.00 0.00 C ATOM 405 CG LEU A 26 -3.725 -11.029 -5.493 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.059 -12.367 -5.212 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.992 -10.282 -4.194 1.00 0.00 C ATOM 0 H LEU A 26 -2.504 -8.574 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.093 -11.382 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.834 -10.206 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.199 -9.152 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.680 -11.216 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.689 -12.954 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.920 -12.908 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.090 -12.199 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.610 -10.898 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.046 -10.064 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.512 -9.349 -4.411 1.00 0.00 H new ATOM 419 N LEU A 27 -5.129 -10.306 -8.663 1.00 0.00 N ATOM 420 CA LEU A 27 -6.469 -10.726 -9.059 1.00 0.00 C ATOM 421 C LEU A 27 -6.432 -11.492 -10.379 1.00 0.00 C ATOM 422 O LEU A 27 -7.109 -12.507 -10.535 1.00 0.00 O ATOM 423 CB LEU A 27 -7.389 -9.511 -9.188 1.00 0.00 C ATOM 424 CG LEU A 27 -7.966 -8.965 -7.881 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.897 -7.795 -8.157 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.697 -10.062 -7.121 1.00 0.00 C ATOM 0 H LEU A 27 -4.973 -9.299 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.858 -11.388 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.835 -8.711 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.217 -9.776 -9.845 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.142 -8.610 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.298 -7.419 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.344 -7.001 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.717 -8.125 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.101 -9.655 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.512 -10.448 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.002 -10.870 -6.891 1.00 0.00 H new ATOM 438 N GLN A 28 -5.635 -10.999 -11.320 1.00 0.00 N ATOM 439 CA GLN A 28 -5.509 -11.639 -12.625 1.00 0.00 C ATOM 440 C GLN A 28 -4.401 -12.687 -12.613 1.00 0.00 C ATOM 441 O GLN A 28 -4.122 -13.321 -13.629 1.00 0.00 O ATOM 442 CB GLN A 28 -5.226 -10.593 -13.704 1.00 0.00 C ATOM 443 CG GLN A 28 -3.792 -10.085 -13.698 1.00 0.00 C ATOM 444 CD GLN A 28 -3.574 -8.941 -14.669 1.00 0.00 C ATOM 445 OE1 GLN A 28 -3.492 -9.147 -15.880 1.00 0.00 O ATOM 446 NE2 GLN A 28 -3.479 -7.726 -14.141 1.00 0.00 N ATOM 0 H GLN A 28 -5.067 -10.160 -11.204 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.452 -12.137 -12.850 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.446 -11.022 -14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.902 -9.749 -13.567 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.531 -9.757 -12.692 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.119 -10.904 -13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.553 -7.602 -13.131 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.332 -6.917 -14.745 1.00 0.00 H new ATOM 455 N ALA A 29 -3.772 -12.863 -11.454 1.00 0.00 N ATOM 456 CA ALA A 29 -2.696 -13.835 -11.309 1.00 0.00 C ATOM 457 C ALA A 29 -3.246 -15.254 -11.223 1.00 0.00 C ATOM 458 O ALA A 29 -4.138 -15.536 -10.423 1.00 0.00 O ATOM 459 CB ALA A 29 -1.859 -13.516 -10.080 1.00 0.00 C ATOM 0 H ALA A 29 -3.990 -12.345 -10.603 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.062 -13.772 -12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.059 -14.250 -9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.427 -12.520 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.490 -13.549 -9.192 1.00 0.00 H new ATOM 465 N GLN A 30 -2.709 -16.144 -12.053 1.00 0.00 N ATOM 466 CA GLN A 30 -3.149 -17.534 -12.070 1.00 0.00 C ATOM 467 C GLN A 30 -2.885 -18.205 -10.727 1.00 0.00 C ATOM 468 O GLN A 30 -3.787 -18.786 -10.125 1.00 0.00 O ATOM 469 CB GLN A 30 -2.437 -18.302 -13.186 1.00 0.00 C ATOM 470 CG GLN A 30 -2.922 -19.734 -13.343 1.00 0.00 C ATOM 471 CD GLN A 30 -2.020 -20.560 -14.239 1.00 0.00 C ATOM 472 OE1 GLN A 30 -1.855 -20.258 -15.421 1.00 0.00 O ATOM 473 NE2 GLN A 30 -1.430 -21.610 -13.681 1.00 0.00 N ATOM 0 H GLN A 30 -1.970 -15.927 -12.721 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.223 -17.547 -12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.580 -17.773 -14.128 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.366 -18.310 -12.984 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.981 -20.203 -12.361 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.931 -19.729 -13.755 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.594 -21.824 -12.697 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.812 -22.202 -14.236 1.00 0.00 H new ATOM 482 N ASN A 31 -1.643 -18.121 -10.262 1.00 0.00 N ATOM 483 CA ASN A 31 -1.260 -18.721 -8.990 1.00 0.00 C ATOM 484 C ASN A 31 -0.999 -17.647 -7.938 1.00 0.00 C ATOM 485 O ASN A 31 0.144 -17.342 -7.598 1.00 0.00 O ATOM 486 CB ASN A 31 -0.014 -19.592 -9.166 1.00 0.00 C ATOM 487 CG ASN A 31 1.035 -18.930 -10.039 1.00 0.00 C ATOM 488 OD1 ASN A 31 1.279 -17.728 -9.932 1.00 0.00 O ATOM 489 ND2 ASN A 31 1.659 -19.713 -10.909 1.00 0.00 N ATOM 0 H ASN A 31 -0.884 -17.643 -10.748 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.086 -19.345 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.415 -19.809 -8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.301 -20.547 -9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.374 -19.324 -11.524 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.424 -20.704 -10.963 1.00 0.00 H new ATOM 496 N PRO A 32 -2.083 -17.059 -7.410 1.00 0.00 N ATOM 497 CA PRO A 32 -1.997 -16.011 -6.389 1.00 0.00 C ATOM 498 C PRO A 32 -1.513 -16.548 -5.046 1.00 0.00 C ATOM 499 O PRO A 32 -1.262 -15.783 -4.115 1.00 0.00 O ATOM 500 CB PRO A 32 -3.437 -15.507 -6.276 1.00 0.00 C ATOM 501 CG PRO A 32 -4.276 -16.655 -6.717 1.00 0.00 C ATOM 502 CD PRO A 32 -3.476 -17.373 -7.769 1.00 0.00 C ATOM 0 HA PRO A 32 -1.280 -15.236 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.674 -15.213 -5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.601 -14.632 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.503 -17.316 -5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.229 -16.310 -7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.663 -18.447 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.722 -17.021 -8.771 1.00 0.00 H new ATOM 510 N SER A 33 -1.382 -17.867 -4.954 1.00 0.00 N ATOM 511 CA SER A 33 -0.932 -18.507 -3.723 1.00 0.00 C ATOM 512 C SER A 33 0.499 -18.093 -3.388 1.00 0.00 C ATOM 513 O SER A 33 0.760 -17.533 -2.325 1.00 0.00 O ATOM 514 CB SER A 33 -1.017 -20.029 -3.854 1.00 0.00 C ATOM 515 OG SER A 33 -1.257 -20.636 -2.595 1.00 0.00 O ATOM 0 H SER A 33 -1.581 -18.514 -5.717 1.00 0.00 H new ATOM 0 HA SER A 33 -1.585 -18.182 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.815 -20.294 -4.547 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.088 -20.413 -4.276 1.00 0.00 H new ATOM 0 HG SER A 33 -1.309 -21.608 -2.705 1.00 0.00 H new ATOM 521 N GLU A 34 1.419 -18.374 -4.305 1.00 0.00 N ATOM 522 CA GLU A 34 2.823 -18.032 -4.107 1.00 0.00 C ATOM 523 C GLU A 34 3.022 -16.518 -4.123 1.00 0.00 C ATOM 524 O GLU A 34 4.091 -16.018 -3.771 1.00 0.00 O ATOM 525 CB GLU A 34 3.687 -18.681 -5.190 1.00 0.00 C ATOM 526 CG GLU A 34 4.171 -20.075 -4.827 1.00 0.00 C ATOM 527 CD GLU A 34 5.380 -20.053 -3.912 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.471 -19.135 -3.070 1.00 0.00 O ATOM 529 OE2 GLU A 34 6.235 -20.954 -4.039 1.00 0.00 O ATOM 0 H GLU A 34 1.218 -18.837 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 34 3.128 -18.412 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.115 -18.734 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.550 -18.045 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.362 -20.621 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.420 -20.618 -5.739 1.00 0.00 H new ATOM 536 N LEU A 35 1.985 -15.795 -4.533 1.00 0.00 N ATOM 537 CA LEU A 35 2.044 -14.339 -4.596 1.00 0.00 C ATOM 538 C LEU A 35 1.659 -13.721 -3.255 1.00 0.00 C ATOM 539 O LEU A 35 2.243 -12.724 -2.831 1.00 0.00 O ATOM 540 CB LEU A 35 1.117 -13.818 -5.697 1.00 0.00 C ATOM 541 CG LEU A 35 1.628 -13.968 -7.129 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.500 -13.744 -8.124 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.773 -12.998 -7.392 1.00 0.00 C ATOM 0 H LEU A 35 1.093 -16.194 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 35 3.069 -14.050 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.162 -14.338 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.922 -12.762 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 35 2.002 -14.984 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.883 -13.855 -9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.288 -14.477 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.096 -12.740 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.124 -13.119 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.424 -11.976 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.591 -13.204 -6.701 1.00 0.00 H new ATOM 555 N TYR A 36 0.675 -14.320 -2.595 1.00 0.00 N ATOM 556 CA TYR A 36 0.212 -13.828 -1.303 1.00 0.00 C ATOM 557 C TYR A 36 1.378 -13.310 -0.467 1.00 0.00 C ATOM 558 O TYR A 36 1.226 -12.373 0.318 1.00 0.00 O ATOM 559 CB TYR A 36 -0.522 -14.936 -0.544 1.00 0.00 C ATOM 560 CG TYR A 36 -1.876 -15.273 -1.125 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.760 -14.271 -1.506 1.00 0.00 C ATOM 562 CD2 TYR A 36 -2.271 -16.595 -1.294 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.999 -14.576 -2.035 1.00 0.00 C ATOM 564 CE2 TYR A 36 -3.507 -16.909 -1.825 1.00 0.00 C ATOM 565 CZ TYR A 36 -4.368 -15.895 -2.194 1.00 0.00 C ATOM 566 OH TYR A 36 -5.601 -16.203 -2.723 1.00 0.00 O ATOM 0 H TYR A 36 0.182 -15.147 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.477 -13.003 -1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.096 -15.834 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.647 -14.632 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.474 -13.237 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.600 -17.390 -1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.676 -13.785 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.798 -17.941 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.703 -17.177 -2.769 1.00 0.00 H new ATOM 576 N LEU A 37 2.541 -13.924 -0.642 1.00 0.00 N ATOM 577 CA LEU A 37 3.737 -13.527 0.095 1.00 0.00 C ATOM 578 C LEU A 37 4.314 -12.230 -0.466 1.00 0.00 C ATOM 579 O LEU A 37 4.230 -11.177 0.166 1.00 0.00 O ATOM 580 CB LEU A 37 4.788 -14.635 0.035 1.00 0.00 C ATOM 581 CG LEU A 37 6.199 -14.246 0.481 1.00 0.00 C ATOM 582 CD1 LEU A 37 6.189 -13.766 1.924 1.00 0.00 C ATOM 583 CD2 LEU A 37 7.154 -15.419 0.313 1.00 0.00 C ATOM 0 H LEU A 37 2.683 -14.700 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 37 3.456 -13.359 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.448 -15.465 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.841 -15.003 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 37 6.546 -13.428 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.201 -13.494 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.538 -12.897 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.821 -14.563 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.153 -15.124 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.810 -16.258 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.184 -15.717 -0.735 1.00 0.00 H new ATOM 595 N SER A 38 4.900 -12.316 -1.656 1.00 0.00 N ATOM 596 CA SER A 38 5.494 -11.150 -2.300 1.00 0.00 C ATOM 597 C SER A 38 4.625 -9.913 -2.093 1.00 0.00 C ATOM 598 O SER A 38 4.996 -8.996 -1.361 1.00 0.00 O ATOM 599 CB SER A 38 5.683 -11.409 -3.796 1.00 0.00 C ATOM 600 OG SER A 38 6.091 -10.232 -4.471 1.00 0.00 O ATOM 0 H SER A 38 4.976 -13.180 -2.193 1.00 0.00 H new ATOM 0 HA SER A 38 6.467 -10.970 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.428 -12.192 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.750 -11.773 -4.226 1.00 0.00 H new ATOM 0 HG SER A 38 6.206 -10.425 -5.425 1.00 0.00 H new ATOM 606 N SER A 39 3.466 -9.896 -2.744 1.00 0.00 N ATOM 607 CA SER A 39 2.545 -8.771 -2.635 1.00 0.00 C ATOM 608 C SER A 39 2.525 -8.221 -1.212 1.00 0.00 C ATOM 609 O SER A 39 2.258 -7.039 -0.994 1.00 0.00 O ATOM 610 CB SER A 39 1.135 -9.196 -3.049 1.00 0.00 C ATOM 611 OG SER A 39 1.106 -9.614 -4.403 1.00 0.00 O ATOM 0 H SER A 39 3.143 -10.648 -3.352 1.00 0.00 H new ATOM 0 HA SER A 39 2.891 -7.984 -3.306 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.793 -10.008 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.445 -8.365 -2.907 1.00 0.00 H new ATOM 0 HG SER A 39 0.195 -9.882 -4.643 1.00 0.00 H new ATOM 617 N LYS A 40 2.810 -9.087 -0.246 1.00 0.00 N ATOM 618 CA LYS A 40 2.827 -8.691 1.157 1.00 0.00 C ATOM 619 C LYS A 40 4.168 -8.068 1.531 1.00 0.00 C ATOM 620 O LYS A 40 4.256 -6.866 1.789 1.00 0.00 O ATOM 621 CB LYS A 40 2.547 -9.900 2.054 1.00 0.00 C ATOM 622 CG LYS A 40 1.876 -9.541 3.367 1.00 0.00 C ATOM 623 CD LYS A 40 1.897 -10.708 4.342 1.00 0.00 C ATOM 624 CE LYS A 40 3.275 -10.893 4.958 1.00 0.00 C ATOM 625 NZ LYS A 40 3.253 -11.874 6.079 1.00 0.00 N ATOM 0 H LYS A 40 3.033 -10.069 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 40 2.046 -7.946 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.915 -10.604 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.486 -10.411 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.382 -8.684 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.845 -9.241 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.164 -10.538 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.603 -11.621 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.973 -11.232 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.642 -9.933 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.211 -11.973 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.606 -11.539 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.927 -12.797 5.727 1.00 0.00 H new ATOM 639 N THR A 41 5.211 -8.891 1.556 1.00 0.00 N ATOM 640 CA THR A 41 6.548 -8.420 1.898 1.00 0.00 C ATOM 641 C THR A 41 6.818 -7.047 1.294 1.00 0.00 C ATOM 642 O THR A 41 7.368 -6.166 1.954 1.00 0.00 O ATOM 643 CB THR A 41 7.631 -9.403 1.414 1.00 0.00 C ATOM 644 OG1 THR A 41 8.806 -9.274 2.222 1.00 0.00 O ATOM 645 CG2 THR A 41 7.981 -9.149 -0.044 1.00 0.00 C ATOM 0 H THR A 41 5.156 -9.887 1.344 1.00 0.00 H new ATOM 0 HA THR A 41 6.590 -8.351 2.985 1.00 0.00 H new ATOM 0 HB THR A 41 7.238 -10.415 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.489 -9.903 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.748 -9.855 -0.363 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.091 -9.278 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.356 -8.132 -0.156 1.00 0.00 H new ATOM 653 N GLU A 42 6.427 -6.871 0.035 1.00 0.00 N ATOM 654 CA GLU A 42 6.628 -5.605 -0.657 1.00 0.00 C ATOM 655 C GLU A 42 5.662 -4.543 -0.141 1.00 0.00 C ATOM 656 O GLU A 42 6.074 -3.456 0.266 1.00 0.00 O ATOM 657 CB GLU A 42 6.445 -5.786 -2.165 1.00 0.00 C ATOM 658 CG GLU A 42 6.919 -4.598 -2.984 1.00 0.00 C ATOM 659 CD GLU A 42 6.248 -3.302 -2.572 1.00 0.00 C ATOM 660 OE1 GLU A 42 5.001 -3.242 -2.603 1.00 0.00 O ATOM 661 OE2 GLU A 42 6.972 -2.346 -2.220 1.00 0.00 O ATOM 0 H GLU A 42 5.969 -7.590 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 42 7.647 -5.272 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.988 -6.676 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.390 -5.964 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.999 -4.494 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.721 -4.786 -4.039 1.00 0.00 H new ATOM 668 N LEU A 43 4.373 -4.865 -0.161 1.00 0.00 N ATOM 669 CA LEU A 43 3.345 -3.940 0.304 1.00 0.00 C ATOM 670 C LEU A 43 3.759 -3.281 1.617 1.00 0.00 C ATOM 671 O LEU A 43 3.403 -2.135 1.885 1.00 0.00 O ATOM 672 CB LEU A 43 2.015 -4.674 0.486 1.00 0.00 C ATOM 673 CG LEU A 43 1.102 -4.723 -0.740 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.018 -5.774 -0.556 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.485 -3.356 -0.999 1.00 0.00 C ATOM 0 H LEU A 43 4.015 -5.760 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 43 3.223 -3.162 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.227 -5.697 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.470 -4.199 1.302 1.00 0.00 H new ATOM 0 HG LEU A 43 1.702 -4.999 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.622 -5.795 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.479 -6.752 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.581 -5.529 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.162 -3.409 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.102 -3.052 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.276 -2.627 -1.176 1.00 0.00 H new ATOM 687 N GLN A 44 4.515 -4.014 2.428 1.00 0.00 N ATOM 688 CA GLN A 44 4.979 -3.500 3.711 1.00 0.00 C ATOM 689 C GLN A 44 5.996 -2.380 3.513 1.00 0.00 C ATOM 690 O GLN A 44 5.961 -1.367 4.209 1.00 0.00 O ATOM 691 CB GLN A 44 5.597 -4.625 4.542 1.00 0.00 C ATOM 692 CG GLN A 44 4.571 -5.477 5.271 1.00 0.00 C ATOM 693 CD GLN A 44 5.130 -6.120 6.525 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.290 -6.531 6.561 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.307 -6.207 7.563 1.00 0.00 N ATOM 0 H GLN A 44 4.819 -4.965 2.219 1.00 0.00 H new ATOM 0 HA GLN A 44 4.119 -3.095 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.190 -5.265 3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.282 -4.193 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.713 -4.859 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.208 -6.255 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.353 -5.853 7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.628 -6.628 8.435 1.00 0.00 H new ATOM 704 N GLY A 45 6.901 -2.571 2.558 1.00 0.00 N ATOM 705 CA GLY A 45 7.915 -1.570 2.286 1.00 0.00 C ATOM 706 C GLY A 45 7.319 -0.212 1.971 1.00 0.00 C ATOM 707 O GLY A 45 7.581 0.767 2.672 1.00 0.00 O ATOM 0 H GLY A 45 6.950 -3.402 1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.575 -1.482 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.529 -1.898 1.447 1.00 0.00 H new ATOM 711 N LEU A 46 6.518 -0.151 0.914 1.00 0.00 N ATOM 712 CA LEU A 46 5.883 1.098 0.506 1.00 0.00 C ATOM 713 C LEU A 46 5.460 1.917 1.722 1.00 0.00 C ATOM 714 O LEU A 46 5.918 3.043 1.914 1.00 0.00 O ATOM 715 CB LEU A 46 4.668 0.812 -0.378 1.00 0.00 C ATOM 716 CG LEU A 46 4.964 0.177 -1.738 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.761 -0.613 -2.231 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.355 1.244 -2.751 1.00 0.00 C ATOM 0 H LEU A 46 6.292 -0.951 0.323 1.00 0.00 H new ATOM 0 HA LEU A 46 6.610 1.676 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.992 0.154 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.136 1.749 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 46 5.802 -0.510 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.990 -1.058 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.526 -1.402 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.904 0.053 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.562 0.774 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.537 1.956 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.246 1.767 -2.403 1.00 0.00 H new ATOM 730 N ILE A 47 4.585 1.341 2.540 1.00 0.00 N ATOM 731 CA ILE A 47 4.103 2.016 3.738 1.00 0.00 C ATOM 732 C ILE A 47 5.200 2.865 4.371 1.00 0.00 C ATOM 733 O ILE A 47 4.984 4.030 4.703 1.00 0.00 O ATOM 734 CB ILE A 47 3.585 1.009 4.782 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.236 0.433 4.342 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.464 1.673 6.145 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.815 -0.788 5.128 1.00 0.00 C ATOM 0 H ILE A 47 4.196 0.409 2.395 1.00 0.00 H new ATOM 0 HA ILE A 47 3.281 2.661 3.426 1.00 0.00 H new ATOM 0 HB ILE A 47 4.300 0.190 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.471 1.203 4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.288 0.174 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.097 0.948 6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.441 2.039 6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.767 2.509 6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.851 -1.142 4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.560 -1.574 5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.730 -0.530 6.184 1.00 0.00 H new ATOM 749 N GLY A 48 6.380 2.273 4.533 1.00 0.00 N ATOM 750 CA GLY A 48 7.495 2.992 5.122 1.00 0.00 C ATOM 751 C GLY A 48 7.619 4.406 4.593 1.00 0.00 C ATOM 752 O GLY A 48 7.812 5.348 5.361 1.00 0.00 O ATOM 0 H GLY A 48 6.583 1.309 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.372 3.022 6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.419 2.450 4.921 1.00 0.00 H new ATOM 756 N GLN A 49 7.511 4.555 3.276 1.00 0.00 N ATOM 757 CA GLN A 49 7.617 5.865 2.645 1.00 0.00 C ATOM 758 C GLN A 49 6.664 6.861 3.297 1.00 0.00 C ATOM 759 O GLN A 49 7.003 8.031 3.482 1.00 0.00 O ATOM 760 CB GLN A 49 7.316 5.759 1.148 1.00 0.00 C ATOM 761 CG GLN A 49 8.446 5.137 0.344 1.00 0.00 C ATOM 762 CD GLN A 49 8.174 5.148 -1.148 1.00 0.00 C ATOM 763 OE1 GLN A 49 8.790 5.907 -1.897 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.249 4.304 -1.587 1.00 0.00 N ATOM 0 H GLN A 49 7.350 3.785 2.626 1.00 0.00 H new ATOM 0 HA GLN A 49 8.637 6.224 2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.412 5.166 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.107 6.755 0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.371 5.678 0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.599 4.110 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.763 3.693 -0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.024 4.266 -2.581 1.00 0.00 H new ATOM 773 N LEU A 50 5.471 6.391 3.644 1.00 0.00 N ATOM 774 CA LEU A 50 4.468 7.241 4.277 1.00 0.00 C ATOM 775 C LEU A 50 5.027 7.899 5.534 1.00 0.00 C ATOM 776 O LEU A 50 4.764 9.072 5.802 1.00 0.00 O ATOM 777 CB LEU A 50 3.224 6.423 4.625 1.00 0.00 C ATOM 778 CG LEU A 50 2.524 5.732 3.453 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.362 4.887 3.949 1.00 0.00 C ATOM 780 CD2 LEU A 50 2.046 6.758 2.438 1.00 0.00 C ATOM 0 H LEU A 50 5.174 5.426 3.498 1.00 0.00 H new ATOM 0 HA LEU A 50 4.193 8.025 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.506 5.662 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.506 7.081 5.114 1.00 0.00 H new ATOM 0 HG LEU A 50 3.241 5.074 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.876 4.403 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.732 4.127 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.643 5.524 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.551 6.249 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.345 7.442 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.900 7.320 2.059 1.00 0.00 H new ATOM 792 N ASP A 51 5.799 7.138 6.300 1.00 0.00 N ATOM 793 CA ASP A 51 6.398 7.647 7.529 1.00 0.00 C ATOM 794 C ASP A 51 7.309 8.836 7.236 1.00 0.00 C ATOM 795 O ASP A 51 7.424 9.755 8.046 1.00 0.00 O ATOM 796 CB ASP A 51 7.189 6.543 8.232 1.00 0.00 C ATOM 797 CG ASP A 51 6.340 5.756 9.210 1.00 0.00 C ATOM 798 OD1 ASP A 51 5.487 4.967 8.755 1.00 0.00 O ATOM 799 OD2 ASP A 51 6.528 5.930 10.434 1.00 0.00 O ATOM 0 H ASP A 51 6.026 6.165 6.092 1.00 0.00 H new ATOM 0 HA ASP A 51 5.594 7.980 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.602 5.864 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.033 6.985 8.762 1.00 0.00 H new ATOM 804 N GLU A 52 7.953 8.809 6.074 1.00 0.00 N ATOM 805 CA GLU A 52 8.856 9.884 5.677 1.00 0.00 C ATOM 806 C GLU A 52 8.111 11.212 5.582 1.00 0.00 C ATOM 807 O GLU A 52 8.453 12.178 6.264 1.00 0.00 O ATOM 808 CB GLU A 52 9.513 9.558 4.335 1.00 0.00 C ATOM 809 CG GLU A 52 10.388 8.316 4.370 1.00 0.00 C ATOM 810 CD GLU A 52 11.355 8.318 5.538 1.00 0.00 C ATOM 811 OE1 GLU A 52 10.928 7.985 6.663 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.540 8.653 5.326 1.00 0.00 O ATOM 0 H GLU A 52 7.867 8.056 5.391 1.00 0.00 H new ATOM 0 HA GLU A 52 9.630 9.975 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.736 9.423 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.117 10.409 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.754 7.431 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.949 8.245 3.438 1.00 0.00 H new ATOM 819 N VAL A 53 7.091 11.252 4.730 1.00 0.00 N ATOM 820 CA VAL A 53 6.296 12.460 4.546 1.00 0.00 C ATOM 821 C VAL A 53 5.546 12.825 5.821 1.00 0.00 C ATOM 822 O VAL A 53 4.704 12.062 6.298 1.00 0.00 O ATOM 823 CB VAL A 53 5.285 12.297 3.396 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.363 11.116 3.660 1.00 0.00 C ATOM 825 CG2 VAL A 53 4.485 13.576 3.205 1.00 0.00 C ATOM 0 H VAL A 53 6.796 10.462 4.157 1.00 0.00 H new ATOM 0 HA VAL A 53 6.992 13.261 4.297 1.00 0.00 H new ATOM 0 HB VAL A 53 5.835 12.099 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.655 11.016 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.954 10.204 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.818 11.281 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.775 13.443 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.943 13.807 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.162 14.397 2.967 1.00 0.00 H new ATOM 941 N ILE A 61 -2.306 16.495 2.300 1.00 0.00 N ATOM 942 CA ILE A 61 -1.315 15.547 2.794 1.00 0.00 C ATOM 943 C ILE A 61 -1.829 14.801 4.020 1.00 0.00 C ATOM 944 O ILE A 61 -2.008 13.583 3.987 1.00 0.00 O ATOM 945 CB ILE A 61 0.007 16.252 3.153 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.755 16.657 1.881 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.872 15.345 4.017 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.180 17.883 1.207 1.00 0.00 C ATOM 0 HA ILE A 61 -1.132 14.835 1.990 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.221 17.154 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.800 16.844 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.738 15.824 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.803 15.856 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.339 15.101 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.095 14.428 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.759 18.112 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.857 17.693 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.222 18.729 1.893 1.00 0.00 H new ATOM 960 N ARG A 62 -2.068 15.539 5.099 1.00 0.00 N ATOM 961 CA ARG A 62 -2.563 14.947 6.336 1.00 0.00 C ATOM 962 C ARG A 62 -3.581 13.849 6.043 1.00 0.00 C ATOM 963 O ARG A 62 -3.712 12.893 6.806 1.00 0.00 O ATOM 964 CB ARG A 62 -3.196 16.022 7.222 1.00 0.00 C ATOM 965 CG ARG A 62 -4.666 16.268 6.926 1.00 0.00 C ATOM 966 CD ARG A 62 -5.213 17.425 7.746 1.00 0.00 C ATOM 967 NE ARG A 62 -6.579 17.770 7.362 1.00 0.00 N ATOM 968 CZ ARG A 62 -7.650 17.099 7.773 1.00 0.00 C ATOM 969 NH1 ARG A 62 -7.513 16.053 8.576 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.861 17.474 7.380 1.00 0.00 N ATOM 0 H ARG A 62 -1.927 16.548 5.142 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.718 14.504 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.089 15.729 8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.647 16.955 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.794 16.480 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.238 15.365 7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.189 17.163 8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.570 18.296 7.619 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.719 18.570 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.584 15.762 8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.337 15.540 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.970 18.278 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.682 16.958 7.696 1.00 0.00 H new ATOM 984 N GLU A 63 -4.300 13.996 4.934 1.00 0.00 N ATOM 985 CA GLU A 63 -5.307 13.016 4.543 1.00 0.00 C ATOM 986 C GLU A 63 -4.679 11.880 3.741 1.00 0.00 C ATOM 987 O GLU A 63 -4.712 10.722 4.156 1.00 0.00 O ATOM 988 CB GLU A 63 -6.409 13.687 3.720 1.00 0.00 C ATOM 989 CG GLU A 63 -7.740 12.955 3.774 1.00 0.00 C ATOM 990 CD GLU A 63 -8.916 13.859 3.460 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.215 14.050 2.263 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.539 14.375 4.412 1.00 0.00 O ATOM 0 H GLU A 63 -4.204 14.783 4.292 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.743 12.598 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.550 14.706 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.084 13.757 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.724 12.127 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.873 12.523 4.766 1.00 0.00 H new ATOM 999 N ALA A 64 -4.108 12.221 2.591 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.470 11.231 1.731 1.00 0.00 C ATOM 1001 C ALA A 64 -2.626 10.258 2.547 1.00 0.00 C ATOM 1002 O ALA A 64 -2.770 9.041 2.423 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.615 11.919 0.677 1.00 0.00 C ATOM 0 H ALA A 64 -4.074 13.175 2.233 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.254 10.661 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.145 11.168 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.243 12.568 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.844 12.515 1.166 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.744 10.801 3.381 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.876 9.980 4.215 1.00 0.00 C ATOM 1011 C ARG A 65 -1.691 8.975 5.024 1.00 0.00 C ATOM 1012 O ARG A 65 -1.477 7.766 4.928 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.055 10.863 5.157 1.00 0.00 C ATOM 1014 CG ARG A 65 1.075 10.123 5.855 1.00 0.00 C ATOM 1015 CD ARG A 65 2.116 11.086 6.403 1.00 0.00 C ATOM 1016 NE ARG A 65 1.785 11.541 7.751 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.799 10.750 8.818 1.00 0.00 C ATOM 1018 NH1 ARG A 65 2.127 9.471 8.694 1.00 0.00 N ATOM 1019 NH2 ARG A 65 1.485 11.239 10.011 1.00 0.00 N ATOM 0 H ARG A 65 -1.612 11.806 3.496 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.199 9.430 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.363 11.695 4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.717 11.291 5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.670 9.522 6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.548 9.434 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.091 10.598 6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.198 11.947 5.740 1.00 0.00 H new ATOM 0 HE ARG A 65 1.529 12.520 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.369 9.093 7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.137 8.865 9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.233 12.222 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.496 10.631 10.830 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.625 9.483 5.823 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.469 8.630 6.650 1.00 0.00 C ATOM 1035 C ARG A 66 -4.228 7.621 5.792 1.00 0.00 C ATOM 1036 O ARG A 66 -4.014 6.414 5.902 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.457 9.480 7.452 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.497 8.661 8.198 1.00 0.00 C ATOM 1039 CD ARG A 66 -6.782 9.449 8.406 1.00 0.00 C ATOM 1040 NE ARG A 66 -7.561 8.937 9.531 1.00 0.00 N ATOM 1041 CZ ARG A 66 -8.182 7.763 9.522 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -8.113 6.982 8.453 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -8.871 7.368 10.584 1.00 0.00 N ATOM 0 H ARG A 66 -2.816 10.481 5.914 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.826 8.083 7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.903 10.088 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.965 10.168 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.714 7.750 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.096 8.355 9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.540 10.498 8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.384 9.407 7.499 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.632 9.513 10.370 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.582 7.282 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.591 6.081 8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.924 7.966 11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.348 6.466 10.576 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.115 8.125 4.941 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.907 7.269 4.066 1.00 0.00 C ATOM 1059 C ARG A 67 -5.065 6.116 3.527 1.00 0.00 C ATOM 1060 O ARG A 67 -5.476 4.958 3.574 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.483 8.081 2.905 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.397 7.278 1.994 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.769 8.064 0.746 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.508 9.282 1.066 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.641 10.302 0.225 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.090 10.250 -0.979 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.329 11.377 0.589 1.00 0.00 N ATOM 0 H ARG A 67 -5.303 9.122 4.839 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.728 6.855 4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.038 8.929 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.662 8.488 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.903 6.350 1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.302 7.003 2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.863 8.323 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.371 7.437 0.089 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.946 9.354 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.562 9.425 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.194 11.035 -1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.756 11.420 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.431 12.160 -0.057 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.883 6.444 3.012 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.983 5.437 2.465 1.00 0.00 C ATOM 1083 C ALA A 68 -2.768 4.296 3.454 1.00 0.00 C ATOM 1084 O ALA A 68 -3.058 3.139 3.155 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.652 6.069 2.087 1.00 0.00 C ATOM 0 H ALA A 68 -3.528 7.399 2.963 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.444 5.022 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.989 5.305 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.817 6.844 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.195 6.512 2.972 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.256 4.632 4.634 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.002 3.636 5.668 1.00 0.00 C ATOM 1093 C VAL A 69 -3.099 2.578 5.693 1.00 0.00 C ATOM 1094 O VAL A 69 -2.837 1.403 5.954 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.898 4.286 7.061 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.505 3.253 8.105 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.906 5.438 7.037 1.00 0.00 C ATOM 0 H VAL A 69 -2.009 5.586 4.897 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.051 3.163 5.425 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.876 4.684 7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.437 3.731 9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.257 2.465 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.539 2.821 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.845 5.886 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.076 5.066 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.238 6.189 6.320 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.328 3.002 5.420 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.466 2.090 5.410 1.00 0.00 C ATOM 1109 C ILE A 70 -5.631 1.433 4.043 1.00 0.00 C ATOM 1110 O ILE A 70 -5.889 0.234 3.948 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.773 2.815 5.781 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.648 3.462 7.162 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.944 1.847 5.747 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -6.003 4.830 7.134 1.00 0.00 C ATOM 0 H ILE A 70 -4.562 3.971 5.203 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.263 1.323 6.157 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.956 3.601 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.640 3.546 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.064 2.807 7.809 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.860 2.375 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.042 1.430 4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.771 1.041 6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.948 5.227 8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.998 4.750 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.598 5.500 6.514 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.480 2.228 2.989 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.612 1.723 1.628 1.00 0.00 C ATOM 1128 C GLU A 71 -4.475 0.764 1.290 1.00 0.00 C ATOM 1129 O GLU A 71 -4.471 0.134 0.233 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.630 2.883 0.630 1.00 0.00 C ATOM 1131 CG GLU A 71 -7.023 3.417 0.342 1.00 0.00 C ATOM 1132 CD GLU A 71 -8.004 2.322 -0.028 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -8.100 1.993 -1.229 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.675 1.792 0.882 1.00 0.00 O ATOM 0 H GLU A 71 -5.266 3.223 3.051 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.554 1.179 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.012 3.693 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.176 2.554 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.392 3.949 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.969 4.141 -0.471 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.506 0.661 2.195 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.363 -0.220 1.996 1.00 0.00 C ATOM 1143 C VAL A 72 -2.383 -1.380 2.984 1.00 0.00 C ATOM 1144 O VAL A 72 -2.012 -2.503 2.645 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.034 0.543 2.143 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.146 -0.395 1.946 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.974 1.704 1.161 1.00 0.00 C ATOM 0 H VAL A 72 -3.491 1.178 3.074 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.439 -0.611 0.981 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.979 0.949 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.076 0.163 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.110 -1.188 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.099 -0.834 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.028 2.232 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.053 1.324 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.799 2.389 1.357 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.820 -1.100 4.208 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.888 -2.121 5.247 1.00 0.00 C ATOM 1159 C GLN A 73 -4.023 -3.101 4.973 1.00 0.00 C ATOM 1160 O GLN A 73 -3.992 -4.248 5.422 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.079 -1.472 6.618 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.774 -1.094 7.300 1.00 0.00 C ATOM 1163 CD GLN A 73 -0.995 -2.303 7.779 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.557 -3.379 7.979 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.309 -2.131 7.965 1.00 0.00 N ATOM 0 H GLN A 73 -3.132 -0.175 4.504 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.947 -2.672 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.692 -0.578 6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.630 -2.158 7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.158 -0.521 6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.987 -0.444 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.734 -1.221 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.885 -2.909 8.286 1.00 0.00 H new ATOM 1174 N THR A 74 -5.028 -2.644 4.231 1.00 0.00 N ATOM 1175 CA THR A 74 -6.174 -3.479 3.898 1.00 0.00 C ATOM 1176 C THR A 74 -5.743 -4.724 3.131 1.00 0.00 C ATOM 1177 O THR A 74 -6.320 -5.801 3.299 1.00 0.00 O ATOM 1178 CB THR A 74 -7.209 -2.706 3.059 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.457 -3.407 3.050 1.00 0.00 O ATOM 1180 CG2 THR A 74 -6.716 -2.519 1.632 1.00 0.00 C ATOM 0 H THR A 74 -5.070 -1.699 3.850 1.00 0.00 H new ATOM 0 HA THR A 74 -6.632 -3.777 4.841 1.00 0.00 H new ATOM 0 HB THR A 74 -7.349 -1.724 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.109 -2.907 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.463 -1.971 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.781 -1.958 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.550 -3.494 1.174 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.728 -4.572 2.289 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.218 -5.686 1.495 1.00 0.00 C ATOM 1190 C LEU A 75 -3.352 -6.608 2.346 1.00 0.00 C ATOM 1191 O LEU A 75 -3.612 -7.809 2.439 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.411 -5.163 0.306 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.186 -4.335 -0.720 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.230 -3.565 -1.618 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.095 -5.230 -1.549 1.00 0.00 C ATOM 0 H LEU A 75 -4.241 -3.689 2.138 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.070 -6.257 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.591 -4.555 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.964 -6.015 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.806 -3.616 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.800 -2.982 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.621 -2.895 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.583 -4.265 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.639 -4.625 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.494 -5.972 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.804 -5.735 -0.893 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.323 -6.041 2.966 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.421 -6.813 3.812 1.00 0.00 C ATOM 1209 C ILE A 76 -2.197 -7.749 4.733 1.00 0.00 C ATOM 1210 O ILE A 76 -1.809 -8.900 4.936 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.527 -5.895 4.667 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.306 -4.979 3.768 1.00 0.00 C ATOM 1213 CG2 ILE A 76 0.375 -6.725 5.568 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.893 -3.790 4.497 1.00 0.00 C ATOM 0 H ILE A 76 -2.093 -5.050 2.899 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.791 -7.402 3.146 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.164 -5.274 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.115 -5.558 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.318 -4.621 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.001 -6.063 6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.237 -7.340 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.008 -7.368 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.471 -3.184 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.088 -3.188 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.544 -4.140 5.299 1.00 0.00 H new ATOM 1226 N THR A 77 -3.297 -7.248 5.286 1.00 0.00 N ATOM 1227 CA THR A 77 -4.128 -8.039 6.185 1.00 0.00 C ATOM 1228 C THR A 77 -4.981 -9.037 5.410 1.00 0.00 C ATOM 1229 O THR A 77 -5.111 -10.195 5.805 1.00 0.00 O ATOM 1230 CB THR A 77 -5.052 -7.142 7.031 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.282 -6.128 7.687 1.00 0.00 O ATOM 1232 CG2 THR A 77 -5.803 -7.964 8.067 1.00 0.00 C ATOM 0 H THR A 77 -3.633 -6.298 5.127 1.00 0.00 H new ATOM 0 HA THR A 77 -3.451 -8.579 6.847 1.00 0.00 H new ATOM 0 HB THR A 77 -5.778 -6.674 6.366 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.089 -5.404 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.449 -7.309 8.652 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.410 -8.717 7.564 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.089 -8.455 8.728 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.559 -8.581 4.304 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.400 -9.434 3.473 1.00 0.00 C ATOM 1242 C TYR A 78 -5.661 -10.711 3.080 1.00 0.00 C ATOM 1243 O TYR A 78 -6.231 -11.802 3.101 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.845 -8.682 2.219 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.160 -9.587 1.050 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.351 -10.301 1.000 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.267 -9.726 -0.006 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.641 -11.130 -0.066 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.551 -10.551 -1.077 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.739 -11.252 -1.102 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.027 -12.075 -2.167 1.00 0.00 O ATOM 0 H TYR A 78 -5.460 -7.625 3.962 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.280 -9.709 4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.728 -8.088 2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.060 -7.984 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.062 -10.206 1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.335 -9.180 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.570 -11.680 -0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.847 -10.647 -1.890 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.289 -12.047 -2.811 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.391 -10.564 2.722 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.573 -11.703 2.325 1.00 0.00 C ATOM 1263 C ILE A 79 -3.324 -12.638 3.504 1.00 0.00 C ATOM 1264 O ILE A 79 -3.547 -13.846 3.409 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.219 -11.250 1.748 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.429 -10.453 0.460 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.323 -12.454 1.493 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.233 -9.615 0.066 1.00 0.00 C ATOM 0 H ILE A 79 -3.906 -9.667 2.699 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.127 -12.236 1.552 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.728 -10.604 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.662 -11.143 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.294 -9.802 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.370 -12.118 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.151 -12.984 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.806 -13.123 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.453 -9.077 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.012 -8.900 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.370 -10.263 -0.089 1.00 0.00 H new ATOM 1280 N ASP A 80 -2.863 -12.073 4.613 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.587 -12.854 5.812 1.00 0.00 C ATOM 1282 C ASP A 80 -3.803 -13.683 6.214 1.00 0.00 C ATOM 1283 O ASP A 80 -3.691 -14.877 6.493 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.176 -11.935 6.964 1.00 0.00 C ATOM 1285 CG ASP A 80 -1.329 -12.648 8.000 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -1.749 -13.726 8.469 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -0.248 -12.125 8.343 1.00 0.00 O ATOM 0 H ASP A 80 -2.672 -11.075 4.707 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.764 -13.534 5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.620 -11.086 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.070 -11.535 7.443 1.00 0.00 H new ATOM 1292 N LEU A 81 -4.966 -13.040 6.242 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.205 -13.715 6.611 1.00 0.00 C ATOM 1294 C LEU A 81 -6.403 -14.981 5.782 1.00 0.00 C ATOM 1295 O LEU A 81 -6.620 -16.064 6.324 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.397 -12.777 6.422 1.00 0.00 C ATOM 1297 CG LEU A 81 -7.582 -11.702 7.495 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -8.615 -10.678 7.052 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -7.987 -12.333 8.818 1.00 0.00 C ATOM 0 H LEU A 81 -5.076 -12.052 6.013 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.136 -13.997 7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.296 -12.284 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.305 -13.379 6.379 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.630 -11.190 7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.733 -9.921 7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.283 -10.203 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.570 -11.175 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.114 -11.553 9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.926 -12.872 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.212 -13.027 9.143 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.325 -14.835 4.463 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.491 -15.965 3.558 1.00 0.00 C ATOM 1313 C LYS A 82 -5.397 -17.005 3.778 1.00 0.00 C ATOM 1314 O LYS A 82 -5.683 -18.170 4.056 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.469 -15.487 2.104 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.829 -15.048 1.587 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.245 -13.712 2.178 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.728 -13.447 1.968 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.567 -14.176 2.959 1.00 0.00 N ATOM 0 H LYS A 82 -6.148 -13.945 3.998 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.455 -16.428 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.770 -14.656 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.091 -16.291 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.799 -14.973 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.574 -15.804 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.019 -13.699 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.663 -12.913 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.920 -12.377 2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.012 -13.749 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.571 -13.970 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.403 -15.199 2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.314 -13.869 3.920 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.146 -16.576 3.653 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.010 -17.472 3.840 1.00 0.00 C ATOM 1335 C GLU A 83 -3.178 -18.307 5.106 1.00 0.00 C ATOM 1336 O GLU A 83 -3.093 -19.535 5.069 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.707 -16.672 3.913 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.091 -16.386 2.553 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.525 -17.629 1.896 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -1.290 -18.343 1.217 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.686 -17.888 2.063 1.00 0.00 O ATOM 0 H GLU A 83 -3.893 -15.615 3.423 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.967 -18.146 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.899 -15.727 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.987 -17.221 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.846 -15.947 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.298 -15.646 2.666 1.00 0.00 H new