USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 THR OG1 : rot 180:sc= -0.181 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.0896 K(o=-0.09,f=-2.5) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.34 K(o=-1.3,f=-7.3!) USER MOD Single : A 15 CYS SG : rot -130:sc= -1.05 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.339 K(o=-0.34,f=-5!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 38:sc= 0.0758 USER MOD Single : A 36 ASN : amide:sc= 0.145 K(o=0.15,f=-4.7!) USER MOD Single : A 38 ASN : amide:sc=-0.00371 K(o=-0.0037,f=-1.2) USER MOD Single : A 42 GLN : amide:sc= 0.0253 X(o=0.025,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.0359 USER MOD Single : A 47 ASN : amide:sc=-0.00545 X(o=-0.0055,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -36:sc= 0.698 USER MOD Single : A 62 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.18) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 74 SER OG : rot -55:sc= 0.046 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.354 USER MOD Single : A 83 MET CE :methyl 180:sc= -0.668 (180deg=-0.668) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.3 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.261 14.514 -2.868 1.00 0.00 N ATOM 78 CA HIS A 6 -4.868 13.183 -2.954 1.00 0.00 C ATOM 79 C HIS A 6 -3.817 12.102 -3.215 1.00 0.00 C ATOM 80 O HIS A 6 -2.730 12.389 -3.720 1.00 0.00 O ATOM 81 CB HIS A 6 -5.941 13.144 -4.054 1.00 0.00 C ATOM 82 CG HIS A 6 -5.433 13.435 -5.438 1.00 0.00 C ATOM 83 ND1 HIS A 6 -4.123 13.770 -5.719 1.00 0.00 N ATOM 84 CD2 HIS A 6 -6.080 13.436 -6.627 1.00 0.00 C ATOM 85 CE1 HIS A 6 -3.989 13.965 -7.018 1.00 0.00 C ATOM 86 NE2 HIS A 6 -5.161 13.767 -7.593 1.00 0.00 N ATOM 0 HA HIS A 6 -5.337 12.978 -1.992 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.407 12.159 -4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.720 13.866 -3.808 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -3.375 13.854 -5.030 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.125 13.217 -6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.076 14.240 -7.524 1.00 0.00 H new ATOM 95 N ILE A 7 -4.156 10.855 -2.878 1.00 0.00 N ATOM 96 CA ILE A 7 -3.247 9.725 -3.080 1.00 0.00 C ATOM 97 C ILE A 7 -3.904 8.645 -3.937 1.00 0.00 C ATOM 98 O ILE A 7 -5.129 8.525 -3.968 1.00 0.00 O ATOM 99 CB ILE A 7 -2.803 9.094 -1.737 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.427 10.183 -0.724 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.636 8.137 -1.955 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.258 11.044 -1.155 1.00 0.00 C ATOM 0 H ILE A 7 -5.053 10.603 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.368 10.119 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.641 8.527 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.293 10.822 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.187 9.712 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.338 7.703 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.940 7.342 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.795 8.681 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.053 11.790 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.377 10.417 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.501 11.545 -2.092 1.00 0.00 H new ATOM 114 N THR A 8 -3.081 7.863 -4.633 1.00 0.00 N ATOM 115 CA THR A 8 -3.579 6.788 -5.493 1.00 0.00 C ATOM 116 C THR A 8 -3.178 5.419 -4.943 1.00 0.00 C ATOM 117 O THR A 8 -2.046 4.968 -5.142 1.00 0.00 O ATOM 118 CB THR A 8 -3.044 6.968 -6.919 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.366 8.256 -7.420 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.581 5.945 -7.897 1.00 0.00 C ATOM 0 H THR A 8 -2.065 7.953 -4.619 1.00 0.00 H new ATOM 0 HA THR A 8 -4.668 6.838 -5.513 1.00 0.00 H new ATOM 0 HB THR A 8 -1.965 6.835 -6.839 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.014 8.350 -8.330 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.161 6.132 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.301 4.944 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.667 6.021 -7.944 1.00 0.00 H new ATOM 128 N VAL A 9 -4.109 4.763 -4.249 1.00 0.00 N ATOM 129 CA VAL A 9 -3.854 3.447 -3.663 1.00 0.00 C ATOM 130 C VAL A 9 -4.841 2.400 -4.181 1.00 0.00 C ATOM 131 O VAL A 9 -6.040 2.481 -3.922 1.00 0.00 O ATOM 132 CB VAL A 9 -3.922 3.501 -2.119 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.320 3.865 -1.635 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.465 2.179 -1.509 1.00 0.00 C ATOM 0 H VAL A 9 -5.048 5.123 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.848 3.156 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.242 4.285 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.332 3.894 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.597 4.843 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.032 3.118 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.521 2.241 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.110 1.374 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.437 1.977 -1.808 1.00 0.00 H new ATOM 144 N GLN A 10 -4.328 1.410 -4.911 1.00 0.00 N ATOM 145 CA GLN A 10 -5.173 0.349 -5.458 1.00 0.00 C ATOM 146 C GLN A 10 -4.618 -1.032 -5.117 1.00 0.00 C ATOM 147 O GLN A 10 -3.436 -1.180 -4.801 1.00 0.00 O ATOM 148 CB GLN A 10 -5.315 0.497 -6.975 1.00 0.00 C ATOM 149 CG GLN A 10 -4.046 0.947 -7.675 1.00 0.00 C ATOM 150 CD GLN A 10 -4.044 2.429 -7.998 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.663 3.231 -7.297 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.349 2.800 -9.067 1.00 0.00 N ATOM 0 H GLN A 10 -3.337 1.321 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.158 0.445 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.629 -0.459 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.108 1.214 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.188 0.717 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.925 0.379 -8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.851 2.102 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.313 3.783 -9.336 1.00 0.00 H new ATOM 161 N PHE A 11 -5.490 -2.040 -5.174 1.00 0.00 N ATOM 162 CA PHE A 11 -5.106 -3.416 -4.862 1.00 0.00 C ATOM 163 C PHE A 11 -5.234 -4.318 -6.088 1.00 0.00 C ATOM 164 O PHE A 11 -6.231 -4.260 -6.808 1.00 0.00 O ATOM 165 CB PHE A 11 -5.986 -3.960 -3.736 1.00 0.00 C ATOM 166 CG PHE A 11 -6.111 -3.040 -2.551 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.990 -2.454 -1.988 1.00 0.00 C ATOM 168 CD2 PHE A 11 -7.355 -2.765 -2.003 1.00 0.00 C ATOM 169 CE1 PHE A 11 -5.106 -1.611 -0.900 1.00 0.00 C ATOM 170 CE2 PHE A 11 -7.478 -1.923 -0.914 1.00 0.00 C ATOM 171 CZ PHE A 11 -6.351 -1.345 -0.363 1.00 0.00 C ATOM 0 H PHE A 11 -6.470 -1.928 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.063 -3.410 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.981 -4.161 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.579 -4.914 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.014 -2.658 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.238 -3.214 -2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.224 -1.160 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.452 -1.718 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.443 -0.685 0.487 1.00 0.00 H new ATOM 181 N ALA A 12 -4.220 -5.157 -6.321 1.00 0.00 N ATOM 182 CA ALA A 12 -4.228 -6.072 -7.464 1.00 0.00 C ATOM 183 C ALA A 12 -3.612 -7.428 -7.116 1.00 0.00 C ATOM 184 O ALA A 12 -2.654 -7.513 -6.346 1.00 0.00 O ATOM 185 CB ALA A 12 -3.489 -5.452 -8.644 1.00 0.00 C ATOM 0 H ALA A 12 -3.387 -5.221 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.270 -6.241 -7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.503 -6.144 -9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.978 -4.521 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.457 -5.247 -8.360 1.00 0.00 H new ATOM 191 N GLY A 13 -4.167 -8.487 -7.704 1.00 0.00 N ATOM 192 CA GLY A 13 -3.662 -9.830 -7.465 1.00 0.00 C ATOM 193 C GLY A 13 -4.272 -10.480 -6.240 1.00 0.00 C ATOM 194 O GLY A 13 -5.318 -11.126 -6.329 1.00 0.00 O ATOM 0 H GLY A 13 -4.960 -8.438 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.865 -10.450 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.579 -9.790 -7.348 1.00 0.00 H new ATOM 198 N GLY A 14 -3.618 -10.310 -5.092 1.00 0.00 N ATOM 199 CA GLY A 14 -4.116 -10.894 -3.856 1.00 0.00 C ATOM 200 C GLY A 14 -4.100 -9.919 -2.690 1.00 0.00 C ATOM 201 O GLY A 14 -3.971 -10.332 -1.536 1.00 0.00 O ATOM 0 H GLY A 14 -2.753 -9.779 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.135 -11.248 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.511 -11.765 -3.603 1.00 0.00 H new ATOM 205 N CYS A 15 -4.235 -8.624 -2.989 1.00 0.00 N ATOM 206 CA CYS A 15 -4.239 -7.586 -1.955 1.00 0.00 C ATOM 207 C CYS A 15 -5.632 -6.967 -1.799 1.00 0.00 C ATOM 208 O CYS A 15 -6.008 -6.542 -0.707 1.00 0.00 O ATOM 209 CB CYS A 15 -3.213 -6.495 -2.291 1.00 0.00 C ATOM 210 SG CYS A 15 -1.746 -6.507 -1.232 1.00 0.00 S ATOM 0 H CYS A 15 -4.343 -8.269 -3.939 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.965 -8.053 -1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.900 -6.613 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.696 -5.521 -2.213 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.529 -5.308 -0.778 1.00 0.00 H new ATOM 216 N GLU A 16 -6.392 -6.919 -2.897 1.00 0.00 N ATOM 217 CA GLU A 16 -7.739 -6.349 -2.878 1.00 0.00 C ATOM 218 C GLU A 16 -8.658 -7.128 -1.934 1.00 0.00 C ATOM 219 O GLU A 16 -9.498 -6.542 -1.251 1.00 0.00 O ATOM 220 CB GLU A 16 -8.325 -6.313 -4.298 1.00 0.00 C ATOM 221 CG GLU A 16 -8.599 -7.687 -4.898 1.00 0.00 C ATOM 222 CD GLU A 16 -7.383 -8.280 -5.593 1.00 0.00 C ATOM 223 OE1 GLU A 16 -6.551 -8.905 -4.901 1.00 0.00 O ATOM 224 OE2 GLU A 16 -7.258 -8.110 -6.824 1.00 0.00 O ATOM 0 H GLU A 16 -6.096 -7.268 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.668 -5.328 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.255 -5.745 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.636 -5.776 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.927 -8.364 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.418 -7.609 -5.613 1.00 0.00 H new ATOM 231 N LEU A 17 -8.486 -8.448 -1.896 1.00 0.00 N ATOM 232 CA LEU A 17 -9.294 -9.309 -1.029 1.00 0.00 C ATOM 233 C LEU A 17 -8.988 -9.072 0.453 1.00 0.00 C ATOM 234 O LEU A 17 -9.745 -9.506 1.322 1.00 0.00 O ATOM 235 CB LEU A 17 -9.052 -10.780 -1.368 1.00 0.00 C ATOM 236 CG LEU A 17 -9.757 -11.283 -2.627 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.882 -12.289 -3.361 1.00 0.00 C ATOM 238 CD2 LEU A 17 -11.106 -11.895 -2.274 1.00 0.00 C ATOM 0 H LEU A 17 -7.794 -8.947 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.339 -9.057 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.980 -10.938 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.374 -11.389 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.931 -10.435 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.399 -12.637 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.943 -11.815 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.676 -13.137 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.594 -12.248 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.958 -12.733 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.732 -11.143 -1.794 1.00 0.00 H new ATOM 250 N LEU A 18 -7.878 -8.384 0.744 1.00 0.00 N ATOM 251 CA LEU A 18 -7.492 -8.108 2.130 1.00 0.00 C ATOM 252 C LEU A 18 -8.208 -6.871 2.695 1.00 0.00 C ATOM 253 O LEU A 18 -7.828 -6.361 3.752 1.00 0.00 O ATOM 254 CB LEU A 18 -5.972 -7.922 2.235 1.00 0.00 C ATOM 255 CG LEU A 18 -5.121 -8.864 1.373 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.641 -8.626 1.633 1.00 0.00 C ATOM 257 CD2 LEU A 18 -5.483 -10.319 1.640 1.00 0.00 C ATOM 0 H LEU A 18 -7.237 -8.011 0.044 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.796 -8.969 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.731 -6.894 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.681 -8.052 3.277 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.329 -8.650 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.050 -9.301 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.390 -7.594 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.422 -8.811 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.867 -10.967 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.307 -10.551 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.535 -10.482 1.403 1.00 0.00 H new ATOM 269 N PHE A 19 -9.249 -6.397 2.001 1.00 0.00 N ATOM 270 CA PHE A 19 -10.009 -5.234 2.449 1.00 0.00 C ATOM 271 C PHE A 19 -11.480 -5.411 2.106 1.00 0.00 C ATOM 272 O PHE A 19 -12.325 -5.517 2.995 1.00 0.00 O ATOM 273 CB PHE A 19 -9.458 -3.954 1.801 1.00 0.00 C ATOM 274 CG PHE A 19 -9.958 -2.684 2.435 1.00 0.00 C ATOM 275 CD1 PHE A 19 -9.941 -2.522 3.811 1.00 0.00 C ATOM 276 CD2 PHE A 19 -10.439 -1.646 1.650 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.395 -1.353 4.392 1.00 0.00 C ATOM 278 CE2 PHE A 19 -10.895 -0.475 2.225 1.00 0.00 C ATOM 279 CZ PHE A 19 -10.872 -0.328 3.599 1.00 0.00 C ATOM 0 H PHE A 19 -9.581 -6.804 1.127 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.909 -5.143 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.369 -3.971 1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.725 -3.950 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.568 -3.319 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.457 -1.755 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.377 -1.241 5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.269 0.324 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.226 0.586 4.052 1.00 0.00 H new ATOM 289 N ALA A 20 -11.774 -5.461 0.810 1.00 0.00 N ATOM 290 CA ALA A 20 -13.141 -5.645 0.338 1.00 0.00 C ATOM 291 C ALA A 20 -13.182 -5.798 -1.183 1.00 0.00 C ATOM 292 O ALA A 20 -14.087 -5.284 -1.843 1.00 0.00 O ATOM 293 CB ALA A 20 -14.013 -4.477 0.789 1.00 0.00 C ATOM 0 H ALA A 20 -11.081 -5.376 0.067 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.535 -6.563 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.032 -4.624 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -14.015 -4.423 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.616 -3.548 0.381 1.00 0.00 H new ATOM 299 N LYS A 21 -12.191 -6.509 -1.733 1.00 0.00 N ATOM 300 CA LYS A 21 -12.099 -6.729 -3.179 1.00 0.00 C ATOM 301 C LYS A 21 -12.245 -5.408 -3.940 1.00 0.00 C ATOM 302 O LYS A 21 -12.878 -5.349 -4.995 1.00 0.00 O ATOM 303 CB LYS A 21 -13.164 -7.735 -3.637 1.00 0.00 C ATOM 304 CG LYS A 21 -13.263 -8.964 -2.745 1.00 0.00 C ATOM 305 CD LYS A 21 -14.288 -8.770 -1.636 1.00 0.00 C ATOM 306 CE LYS A 21 -15.283 -9.920 -1.586 1.00 0.00 C ATOM 307 NZ LYS A 21 -16.485 -9.585 -0.771 1.00 0.00 N ATOM 0 H LYS A 21 -11.440 -6.943 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.115 -7.142 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.134 -7.238 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.938 -8.052 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.537 -9.830 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.288 -9.176 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.776 -8.689 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.822 -7.833 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.592 -10.176 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.797 -10.802 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.136 -10.396 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.194 -9.366 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.965 -8.759 -1.183 1.00 0.00 H new ATOM 321 N GLN A 22 -11.652 -4.347 -3.386 1.00 0.00 N ATOM 322 CA GLN A 22 -11.714 -3.022 -3.997 1.00 0.00 C ATOM 323 C GLN A 22 -10.812 -2.942 -5.226 1.00 0.00 C ATOM 324 O GLN A 22 -10.086 -3.887 -5.539 1.00 0.00 O ATOM 325 CB GLN A 22 -11.313 -1.943 -2.984 1.00 0.00 C ATOM 326 CG GLN A 22 -12.489 -1.365 -2.211 1.00 0.00 C ATOM 327 CD GLN A 22 -13.422 -0.538 -3.082 1.00 0.00 C ATOM 328 OE1 GLN A 22 -13.291 -0.509 -4.306 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.374 0.141 -2.450 1.00 0.00 N ATOM 0 H GLN A 22 -11.124 -4.383 -2.514 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.743 -2.848 -4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.598 -2.367 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.802 -1.136 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.053 -2.179 -1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.113 -0.743 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.448 0.090 -1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.030 0.713 -2.981 1.00 0.00 H new ATOM 338 N THR A 23 -10.863 -1.806 -5.920 1.00 0.00 N ATOM 339 CA THR A 23 -10.048 -1.607 -7.113 1.00 0.00 C ATOM 340 C THR A 23 -9.025 -0.493 -6.898 1.00 0.00 C ATOM 341 O THR A 23 -7.834 -0.690 -7.125 1.00 0.00 O ATOM 342 CB THR A 23 -10.939 -1.301 -8.327 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.549 -0.024 -8.206 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.044 -2.320 -8.529 1.00 0.00 C ATOM 0 H THR A 23 -11.458 -1.014 -5.677 1.00 0.00 H new ATOM 0 HA THR A 23 -9.502 -2.529 -7.310 1.00 0.00 H new ATOM 0 HB THR A 23 -10.269 -1.333 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.109 0.147 -8.992 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.636 -2.046 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.606 -3.306 -8.683 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.685 -2.341 -7.648 1.00 0.00 H new ATOM 352 N SER A 24 -9.495 0.674 -6.454 1.00 0.00 N ATOM 353 CA SER A 24 -8.613 1.816 -6.206 1.00 0.00 C ATOM 354 C SER A 24 -9.227 2.768 -5.182 1.00 0.00 C ATOM 355 O SER A 24 -10.450 2.893 -5.094 1.00 0.00 O ATOM 356 CB SER A 24 -8.324 2.565 -7.510 1.00 0.00 C ATOM 357 OG SER A 24 -9.508 3.120 -8.058 1.00 0.00 O ATOM 0 H SER A 24 -10.480 0.853 -6.259 1.00 0.00 H new ATOM 0 HA SER A 24 -7.675 1.434 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.600 3.358 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.872 1.884 -8.231 1.00 0.00 H new ATOM 0 HG SER A 24 -9.293 3.594 -8.889 1.00 0.00 H new ATOM 363 N LEU A 25 -8.370 3.435 -4.405 1.00 0.00 N ATOM 364 CA LEU A 25 -8.836 4.371 -3.382 1.00 0.00 C ATOM 365 C LEU A 25 -8.020 5.665 -3.398 1.00 0.00 C ATOM 366 O LEU A 25 -6.888 5.694 -3.884 1.00 0.00 O ATOM 367 CB LEU A 25 -8.755 3.725 -1.996 1.00 0.00 C ATOM 368 CG LEU A 25 -9.791 2.629 -1.727 1.00 0.00 C ATOM 369 CD1 LEU A 25 -9.186 1.511 -0.891 1.00 0.00 C ATOM 370 CD2 LEU A 25 -11.018 3.210 -1.035 1.00 0.00 C ATOM 0 H LEU A 25 -7.356 3.344 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.874 4.619 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.759 3.301 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.869 4.504 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.102 2.211 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.938 0.743 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.342 1.074 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.844 1.914 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.743 2.416 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.723 3.657 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.468 3.972 -1.671 1.00 0.00 H new ATOM 382 N GLN A 26 -8.607 6.737 -2.859 1.00 0.00 N ATOM 383 CA GLN A 26 -7.941 8.033 -2.806 1.00 0.00 C ATOM 384 C GLN A 26 -8.006 8.619 -1.397 1.00 0.00 C ATOM 385 O GLN A 26 -9.063 9.065 -0.946 1.00 0.00 O ATOM 386 CB GLN A 26 -8.570 9.001 -3.812 1.00 0.00 C ATOM 387 CG GLN A 26 -7.862 9.021 -5.158 1.00 0.00 C ATOM 388 CD GLN A 26 -8.728 9.591 -6.267 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.458 8.862 -6.934 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.648 10.902 -6.469 1.00 0.00 N ATOM 0 H GLN A 26 -9.543 6.729 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.894 7.887 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.614 8.727 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.562 10.006 -3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.950 9.612 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.562 8.007 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.028 11.470 -5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.206 11.340 -7.202 1.00 0.00 H new ATOM 399 N LEU A 27 -6.868 8.607 -0.706 1.00 0.00 N ATOM 400 CA LEU A 27 -6.788 9.133 0.653 1.00 0.00 C ATOM 401 C LEU A 27 -6.487 10.628 0.642 1.00 0.00 C ATOM 402 O LEU A 27 -5.657 11.097 -0.139 1.00 0.00 O ATOM 403 CB LEU A 27 -5.706 8.401 1.451 1.00 0.00 C ATOM 404 CG LEU A 27 -5.707 6.876 1.319 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.287 6.334 1.412 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.593 6.250 2.387 1.00 0.00 C ATOM 0 H LEU A 27 -5.988 8.238 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.756 8.972 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.732 8.775 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.820 8.657 2.504 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.111 6.612 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.305 5.248 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.682 6.759 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.856 6.606 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.582 5.165 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.218 6.520 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.613 6.616 2.274 1.00 0.00 H new ATOM 504 N THR A 35 5.572 11.662 5.863 1.00 0.00 N ATOM 505 CA THR A 35 4.992 10.337 6.065 1.00 0.00 C ATOM 506 C THR A 35 5.540 9.344 5.039 1.00 0.00 C ATOM 507 O THR A 35 5.298 9.481 3.837 1.00 0.00 O ATOM 508 CB THR A 35 3.462 10.403 5.968 1.00 0.00 C ATOM 509 OG1 THR A 35 2.935 11.310 6.922 1.00 0.00 O ATOM 510 CG2 THR A 35 2.790 9.064 6.189 1.00 0.00 C ATOM 0 HA THR A 35 5.268 9.993 7.062 1.00 0.00 H new ATOM 0 HB THR A 35 3.253 10.735 4.951 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.529 12.086 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.709 9.181 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.136 8.355 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.040 8.691 7.182 1.00 0.00 H new ATOM 518 N ASN A 36 6.278 8.345 5.523 1.00 0.00 N ATOM 519 CA ASN A 36 6.862 7.325 4.652 1.00 0.00 C ATOM 520 C ASN A 36 5.855 6.212 4.361 1.00 0.00 C ATOM 521 O ASN A 36 4.757 6.194 4.922 1.00 0.00 O ATOM 522 CB ASN A 36 8.137 6.740 5.283 1.00 0.00 C ATOM 523 CG ASN A 36 7.912 6.136 6.661 1.00 0.00 C ATOM 524 OD1 ASN A 36 6.782 6.058 7.147 1.00 0.00 O ATOM 525 ND2 ASN A 36 8.995 5.707 7.302 1.00 0.00 N ATOM 0 H ASN A 36 6.486 8.220 6.514 1.00 0.00 H new ATOM 0 HA ASN A 36 7.127 7.801 3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.541 5.974 4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.889 7.526 5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.908 5.295 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.913 5.790 6.865 1.00 0.00 H new ATOM 532 N LEU A 37 6.234 5.288 3.478 1.00 0.00 N ATOM 533 CA LEU A 37 5.360 4.175 3.110 1.00 0.00 C ATOM 534 C LEU A 37 4.965 3.356 4.332 1.00 0.00 C ATOM 535 O LEU A 37 3.815 2.932 4.452 1.00 0.00 O ATOM 536 CB LEU A 37 6.044 3.271 2.085 1.00 0.00 C ATOM 537 CG LEU A 37 5.119 2.264 1.398 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.440 2.175 -0.083 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.225 0.894 2.060 1.00 0.00 C ATOM 0 H LEU A 37 7.138 5.288 3.006 1.00 0.00 H new ATOM 0 HA LEU A 37 4.457 4.598 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.507 3.896 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.847 2.726 2.581 1.00 0.00 H new ATOM 0 HG LEU A 37 4.091 2.611 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.773 1.455 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.304 3.153 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.473 1.853 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.559 0.194 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.251 0.534 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.940 0.974 3.109 1.00 0.00 H new ATOM 551 N ASN A 38 5.917 3.146 5.240 1.00 0.00 N ATOM 552 CA ASN A 38 5.659 2.387 6.460 1.00 0.00 C ATOM 553 C ASN A 38 4.459 2.974 7.195 1.00 0.00 C ATOM 554 O ASN A 38 3.604 2.243 7.696 1.00 0.00 O ATOM 555 CB ASN A 38 6.892 2.407 7.370 1.00 0.00 C ATOM 556 CG ASN A 38 6.764 1.465 8.556 1.00 0.00 C ATOM 557 OD1 ASN A 38 5.857 0.632 8.610 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.676 1.593 9.515 1.00 0.00 N ATOM 0 H ASN A 38 6.873 3.491 5.153 1.00 0.00 H new ATOM 0 HA ASN A 38 5.440 1.354 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.772 2.133 6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.053 3.422 7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.642 0.988 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.410 2.296 9.430 1.00 0.00 H new ATOM 565 N GLY A 39 4.399 4.304 7.230 1.00 0.00 N ATOM 566 CA GLY A 39 3.299 4.988 7.875 1.00 0.00 C ATOM 567 C GLY A 39 2.012 4.877 7.080 1.00 0.00 C ATOM 568 O GLY A 39 0.925 4.842 7.655 1.00 0.00 O ATOM 0 H GLY A 39 5.100 4.920 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.147 4.570 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.554 6.040 8.006 1.00 0.00 H new ATOM 572 N LEU A 40 2.135 4.814 5.749 1.00 0.00 N ATOM 573 CA LEU A 40 0.968 4.699 4.880 1.00 0.00 C ATOM 574 C LEU A 40 0.320 3.321 5.014 1.00 0.00 C ATOM 575 O LEU A 40 -0.865 3.215 5.338 1.00 0.00 O ATOM 576 CB LEU A 40 1.356 4.961 3.418 1.00 0.00 C ATOM 577 CG LEU A 40 0.222 4.785 2.404 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.503 6.102 2.180 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.762 4.236 1.089 1.00 0.00 C ATOM 0 H LEU A 40 3.028 4.841 5.256 1.00 0.00 H new ATOM 0 HA LEU A 40 0.243 5.451 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.741 5.978 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.171 4.289 3.149 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.492 4.067 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.305 5.957 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.923 6.451 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.199 6.844 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.058 4.117 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.498 4.929 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.233 3.269 1.265 1.00 0.00 H new ATOM 591 N VAL A 41 1.101 2.269 4.763 1.00 0.00 N ATOM 592 CA VAL A 41 0.591 0.898 4.859 1.00 0.00 C ATOM 593 C VAL A 41 0.033 0.613 6.250 1.00 0.00 C ATOM 594 O VAL A 41 -1.132 0.255 6.390 1.00 0.00 O ATOM 595 CB VAL A 41 1.658 -0.170 4.515 1.00 0.00 C ATOM 596 CG1 VAL A 41 1.700 -0.413 3.014 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.036 0.215 5.043 1.00 0.00 C ATOM 0 H VAL A 41 2.082 2.338 4.493 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.206 0.828 4.118 1.00 0.00 H new ATOM 0 HB VAL A 41 1.371 -1.097 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.455 -1.166 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.725 -0.763 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.950 0.516 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.756 -0.560 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.344 1.162 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.994 0.319 6.127 1.00 0.00 H new ATOM 607 N GLN A 42 0.869 0.781 7.275 1.00 0.00 N ATOM 608 CA GLN A 42 0.454 0.545 8.660 1.00 0.00 C ATOM 609 C GLN A 42 -0.863 1.264 8.983 1.00 0.00 C ATOM 610 O GLN A 42 -1.661 0.776 9.785 1.00 0.00 O ATOM 611 CB GLN A 42 1.549 1.003 9.623 1.00 0.00 C ATOM 612 CG GLN A 42 1.338 0.536 11.056 1.00 0.00 C ATOM 613 CD GLN A 42 1.221 1.689 12.034 1.00 0.00 C ATOM 614 OE1 GLN A 42 2.195 2.069 12.681 1.00 0.00 O ATOM 615 NE2 GLN A 42 0.023 2.249 12.148 1.00 0.00 N ATOM 0 H GLN A 42 1.839 1.080 7.173 1.00 0.00 H new ATOM 0 HA GLN A 42 0.291 -0.526 8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.511 0.633 9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.601 2.092 9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.435 -0.072 11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.170 -0.104 11.352 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.758 1.901 11.591 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.117 3.027 12.792 1.00 0.00 H new ATOM 624 N LEU A 43 -1.081 2.422 8.356 1.00 0.00 N ATOM 625 CA LEU A 43 -2.296 3.207 8.578 1.00 0.00 C ATOM 626 C LEU A 43 -3.509 2.593 7.863 1.00 0.00 C ATOM 627 O LEU A 43 -4.648 2.829 8.263 1.00 0.00 O ATOM 628 CB LEU A 43 -2.084 4.650 8.107 1.00 0.00 C ATOM 629 CG LEU A 43 -3.198 5.636 8.475 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.840 6.404 9.741 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.459 6.597 7.322 1.00 0.00 C ATOM 0 H LEU A 43 -0.430 2.837 7.689 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.503 3.201 9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.146 5.016 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.970 4.647 7.023 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.109 5.069 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.644 7.099 9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.703 5.704 10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.916 6.960 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.253 7.291 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.550 7.156 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.762 6.033 6.440 1.00 0.00 H new ATOM 643 N LEU A 44 -3.264 1.815 6.805 1.00 0.00 N ATOM 644 CA LEU A 44 -4.349 1.184 6.052 1.00 0.00 C ATOM 645 C LEU A 44 -4.598 -0.253 6.506 1.00 0.00 C ATOM 646 O LEU A 44 -5.744 -0.695 6.555 1.00 0.00 O ATOM 647 CB LEU A 44 -4.063 1.239 4.540 1.00 0.00 C ATOM 648 CG LEU A 44 -3.207 0.100 3.968 1.00 0.00 C ATOM 649 CD1 LEU A 44 -4.075 -1.096 3.596 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.425 0.585 2.753 1.00 0.00 C ATOM 0 H LEU A 44 -2.329 1.608 6.453 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.259 1.749 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.016 1.249 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.566 2.184 4.320 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.501 -0.216 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.447 -1.890 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.594 -1.459 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.806 -0.796 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.823 -0.233 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.120 0.927 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.773 1.408 3.045 1.00 0.00 H new ATOM 662 N LYS A 45 -3.533 -0.984 6.833 1.00 0.00 N ATOM 663 CA LYS A 45 -3.674 -2.367 7.279 1.00 0.00 C ATOM 664 C LYS A 45 -3.984 -2.440 8.774 1.00 0.00 C ATOM 665 O LYS A 45 -5.101 -2.766 9.162 1.00 0.00 O ATOM 666 CB LYS A 45 -2.422 -3.190 6.936 1.00 0.00 C ATOM 667 CG LYS A 45 -1.108 -2.426 7.030 1.00 0.00 C ATOM 668 CD LYS A 45 0.031 -3.322 7.488 1.00 0.00 C ATOM 669 CE LYS A 45 1.387 -2.680 7.222 1.00 0.00 C ATOM 670 NZ LYS A 45 2.441 -3.216 8.126 1.00 0.00 N ATOM 0 H LYS A 45 -2.572 -0.644 6.798 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.518 -2.801 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.375 -4.049 7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.527 -3.580 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.866 -1.998 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.219 -1.594 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.073 -3.528 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.027 -4.280 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.674 -2.855 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.310 -1.601 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.348 -2.754 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.179 -3.027 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.533 -4.242 7.982 1.00 0.00 H new ATOM 684 N THR A 46 -2.999 -2.128 9.616 1.00 0.00 N ATOM 685 CA THR A 46 -3.192 -2.165 11.068 1.00 0.00 C ATOM 686 C THR A 46 -4.422 -1.355 11.506 1.00 0.00 C ATOM 687 O THR A 46 -4.994 -1.620 12.564 1.00 0.00 O ATOM 688 CB THR A 46 -1.939 -1.650 11.786 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.772 -2.257 11.258 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.950 -1.910 13.278 1.00 0.00 C ATOM 0 H THR A 46 -2.064 -1.848 9.321 1.00 0.00 H new ATOM 0 HA THR A 46 -3.366 -3.205 11.346 1.00 0.00 H new ATOM 0 HB THR A 46 -1.938 -0.573 11.620 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.040 -2.176 11.905 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.034 -1.520 13.722 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.811 -1.415 13.727 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.013 -2.983 13.460 1.00 0.00 H new ATOM 698 N ASN A 47 -4.824 -0.367 10.698 1.00 0.00 N ATOM 699 CA ASN A 47 -5.978 0.467 11.024 1.00 0.00 C ATOM 700 C ASN A 47 -7.232 0.069 10.233 1.00 0.00 C ATOM 701 O ASN A 47 -8.351 0.301 10.693 1.00 0.00 O ATOM 702 CB ASN A 47 -5.653 1.942 10.771 1.00 0.00 C ATOM 703 CG ASN A 47 -5.921 2.815 11.982 1.00 0.00 C ATOM 704 OD1 ASN A 47 -5.044 3.550 12.438 1.00 0.00 O ATOM 705 ND2 ASN A 47 -7.138 2.739 12.512 1.00 0.00 N ATOM 0 H ASN A 47 -4.367 -0.129 9.818 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.195 0.312 12.081 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.605 2.035 10.485 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.246 2.302 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.375 3.303 13.328 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.835 2.117 12.102 1.00 0.00 H new ATOM 712 N TYR A 48 -7.050 -0.511 9.040 1.00 0.00 N ATOM 713 CA TYR A 48 -8.188 -0.910 8.204 1.00 0.00 C ATOM 714 C TYR A 48 -7.933 -2.232 7.467 1.00 0.00 C ATOM 715 O TYR A 48 -8.129 -2.325 6.252 1.00 0.00 O ATOM 716 CB TYR A 48 -8.500 0.199 7.192 1.00 0.00 C ATOM 717 CG TYR A 48 -9.525 1.203 7.674 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.884 0.934 7.582 1.00 0.00 C ATOM 719 CD2 TYR A 48 -9.130 2.424 8.205 1.00 0.00 C ATOM 720 CE1 TYR A 48 -11.822 1.852 8.013 1.00 0.00 C ATOM 721 CE2 TYR A 48 -10.063 3.348 8.636 1.00 0.00 C ATOM 722 CZ TYR A 48 -11.407 3.058 8.537 1.00 0.00 C ATOM 723 OH TYR A 48 -12.338 3.977 8.962 1.00 0.00 O ATOM 0 H TYR A 48 -6.136 -0.713 8.636 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.042 -1.065 8.864 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.577 0.726 6.950 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.859 -0.256 6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.213 -0.007 7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.078 2.655 8.282 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.876 1.626 7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.741 4.293 9.048 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.880 4.772 9.305 1.00 0.00 H new ATOM 733 N VAL A 49 -7.503 -3.255 8.202 1.00 0.00 N ATOM 734 CA VAL A 49 -7.230 -4.568 7.607 1.00 0.00 C ATOM 735 C VAL A 49 -8.422 -5.514 7.779 1.00 0.00 C ATOM 736 O VAL A 49 -9.057 -5.539 8.833 1.00 0.00 O ATOM 737 CB VAL A 49 -5.967 -5.222 8.218 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.132 -5.451 9.716 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.637 -6.527 7.508 1.00 0.00 C ATOM 0 H VAL A 49 -7.336 -3.204 9.207 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.057 -4.399 6.544 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.134 -4.533 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.228 -5.911 10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.303 -4.496 10.213 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.983 -6.109 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.746 -6.969 7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.474 -7.218 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.454 -6.330 6.452 1.00 0.00 H new ATOM 749 N LYS A 50 -8.717 -6.293 6.732 1.00 0.00 N ATOM 750 CA LYS A 50 -9.830 -7.241 6.769 1.00 0.00 C ATOM 751 C LYS A 50 -9.362 -8.669 6.456 1.00 0.00 C ATOM 752 O LYS A 50 -10.112 -9.471 5.898 1.00 0.00 O ATOM 753 CB LYS A 50 -10.921 -6.812 5.782 1.00 0.00 C ATOM 754 CG LYS A 50 -12.158 -6.244 6.459 1.00 0.00 C ATOM 755 CD LYS A 50 -13.435 -6.869 5.912 1.00 0.00 C ATOM 756 CE LYS A 50 -13.585 -8.320 6.347 1.00 0.00 C ATOM 757 NZ LYS A 50 -14.227 -9.154 5.292 1.00 0.00 N ATOM 0 H LYS A 50 -8.201 -6.284 5.852 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.239 -7.239 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.512 -6.064 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.210 -7.670 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.098 -6.419 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.190 -5.164 6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.296 -6.296 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.429 -6.815 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.604 -8.730 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.181 -8.366 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.311 -10.135 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.174 -8.778 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.645 -9.132 4.430 1.00 0.00 H new ATOM 771 N GLU A 51 -8.120 -8.977 6.830 1.00 0.00 N ATOM 772 CA GLU A 51 -7.543 -10.303 6.605 1.00 0.00 C ATOM 773 C GLU A 51 -6.292 -10.486 7.465 1.00 0.00 C ATOM 774 O GLU A 51 -5.880 -9.558 8.162 1.00 0.00 O ATOM 775 CB GLU A 51 -7.199 -10.492 5.121 1.00 0.00 C ATOM 776 CG GLU A 51 -7.438 -11.907 4.610 1.00 0.00 C ATOM 777 CD GLU A 51 -8.789 -12.069 3.937 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.799 -12.220 4.659 1.00 0.00 O ATOM 779 OE2 GLU A 51 -8.838 -12.047 2.689 1.00 0.00 O ATOM 0 H GLU A 51 -7.490 -8.322 7.293 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.278 -11.056 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.793 -9.796 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.152 -10.231 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.651 -12.171 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.366 -12.606 5.443 1.00 0.00 H new ATOM 786 N ARG A 52 -5.696 -11.680 7.420 1.00 0.00 N ATOM 787 CA ARG A 52 -4.493 -11.976 8.203 1.00 0.00 C ATOM 788 C ARG A 52 -3.424 -10.895 8.014 1.00 0.00 C ATOM 789 O ARG A 52 -2.777 -10.833 6.971 1.00 0.00 O ATOM 790 CB ARG A 52 -3.913 -13.340 7.810 1.00 0.00 C ATOM 791 CG ARG A 52 -4.570 -14.516 8.513 1.00 0.00 C ATOM 792 CD ARG A 52 -4.491 -15.781 7.669 1.00 0.00 C ATOM 793 NE ARG A 52 -5.795 -16.424 7.525 1.00 0.00 N ATOM 794 CZ ARG A 52 -6.733 -16.029 6.660 1.00 0.00 C ATOM 795 NH1 ARG A 52 -6.517 -14.990 5.857 1.00 0.00 N ATOM 796 NH2 ARG A 52 -7.893 -16.676 6.598 1.00 0.00 N ATOM 0 H ARG A 52 -6.027 -12.458 6.849 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.786 -11.997 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.016 -13.470 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.846 -13.347 8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.083 -14.686 9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.614 -14.280 8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.097 -15.535 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.791 -16.480 8.127 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.002 -17.224 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.630 -14.489 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.239 -14.695 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.066 -17.473 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.610 -16.375 5.938 1.00 0.00 H new ATOM 810 N PRO A 53 -3.222 -10.033 9.028 1.00 0.00 N ATOM 811 CA PRO A 53 -2.219 -8.960 8.963 1.00 0.00 C ATOM 812 C PRO A 53 -0.819 -9.481 8.642 1.00 0.00 C ATOM 813 O PRO A 53 -0.007 -8.767 8.055 1.00 0.00 O ATOM 814 CB PRO A 53 -2.249 -8.357 10.371 1.00 0.00 C ATOM 815 CG PRO A 53 -3.597 -8.698 10.902 1.00 0.00 C ATOM 816 CD PRO A 53 -3.942 -10.036 10.312 1.00 0.00 C ATOM 0 HA PRO A 53 -2.445 -8.247 8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.460 -8.774 10.997 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.096 -7.278 10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.589 -8.741 11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.331 -7.944 10.618 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.617 -10.855 10.954 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.017 -10.149 10.171 1.00 0.00 H new ATOM 824 N ASP A 54 -0.543 -10.728 9.031 1.00 0.00 N ATOM 825 CA ASP A 54 0.761 -11.335 8.781 1.00 0.00 C ATOM 826 C ASP A 54 0.789 -12.128 7.468 1.00 0.00 C ATOM 827 O ASP A 54 1.763 -12.832 7.192 1.00 0.00 O ATOM 828 CB ASP A 54 1.152 -12.250 9.944 1.00 0.00 C ATOM 829 CG ASP A 54 2.598 -12.064 10.357 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.879 -11.117 11.122 1.00 0.00 O ATOM 831 OD2 ASP A 54 3.450 -12.860 9.910 1.00 0.00 O ATOM 0 H ASP A 54 -1.204 -11.333 9.518 1.00 0.00 H new ATOM 0 HA ASP A 54 1.482 -10.522 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.504 -12.048 10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.988 -13.289 9.658 1.00 0.00 H new ATOM 836 N LEU A 55 -0.266 -12.014 6.659 1.00 0.00 N ATOM 837 CA LEU A 55 -0.320 -12.730 5.385 1.00 0.00 C ATOM 838 C LEU A 55 0.417 -11.960 4.287 1.00 0.00 C ATOM 839 O LEU A 55 0.945 -12.563 3.349 1.00 0.00 O ATOM 840 CB LEU A 55 -1.774 -13.002 4.969 1.00 0.00 C ATOM 841 CG LEU A 55 -2.529 -11.816 4.354 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.236 -11.702 2.868 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.026 -11.961 4.585 1.00 0.00 C ATOM 0 H LEU A 55 -1.085 -11.440 6.860 1.00 0.00 H new ATOM 0 HA LEU A 55 0.182 -13.688 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.779 -13.822 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.325 -13.343 5.846 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.186 -10.905 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.782 -10.855 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.167 -11.553 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.549 -12.617 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.546 -11.112 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.378 -12.883 4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.228 -11.992 5.656 1.00 0.00 H new ATOM 855 N LEU A 56 0.454 -10.632 4.406 1.00 0.00 N ATOM 856 CA LEU A 56 1.133 -9.800 3.414 1.00 0.00 C ATOM 857 C LEU A 56 2.568 -9.501 3.830 1.00 0.00 C ATOM 858 O LEU A 56 3.497 -9.754 3.070 1.00 0.00 O ATOM 859 CB LEU A 56 0.386 -8.482 3.160 1.00 0.00 C ATOM 860 CG LEU A 56 -0.306 -7.851 4.373 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.394 -6.340 4.210 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.694 -8.448 4.570 1.00 0.00 C ATOM 0 H LEU A 56 0.025 -10.114 5.173 1.00 0.00 H new ATOM 0 HA LEU A 56 1.144 -10.372 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.095 -7.759 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.365 -8.657 2.390 1.00 0.00 H new ATOM 0 HG LEU A 56 0.290 -8.069 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.888 -5.908 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.610 -5.925 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.967 -6.104 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.169 -7.987 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.299 -8.262 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.608 -9.522 4.732 1.00 0.00 H new ATOM 874 N VAL A 57 2.749 -8.958 5.030 1.00 0.00 N ATOM 875 CA VAL A 57 4.085 -8.628 5.520 1.00 0.00 C ATOM 876 C VAL A 57 5.016 -9.835 5.471 1.00 0.00 C ATOM 877 O VAL A 57 4.580 -10.982 5.579 1.00 0.00 O ATOM 878 CB VAL A 57 4.062 -8.080 6.959 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.727 -6.596 6.960 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.086 -8.873 7.821 1.00 0.00 C ATOM 0 H VAL A 57 1.993 -8.738 5.678 1.00 0.00 H new ATOM 0 HA VAL A 57 4.460 -7.851 4.854 1.00 0.00 H new ATOM 0 HB VAL A 57 5.055 -8.197 7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.715 -6.226 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.479 -6.053 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.747 -6.444 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.085 -8.470 8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.084 -8.798 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.391 -9.919 7.847 1.00 0.00 H new ATOM 890 N ASP A 58 6.304 -9.551 5.310 1.00 0.00 N ATOM 891 CA ASP A 58 7.323 -10.592 5.246 1.00 0.00 C ATOM 892 C ASP A 58 7.473 -11.285 6.597 1.00 0.00 C ATOM 893 O ASP A 58 7.217 -12.482 6.720 1.00 0.00 O ATOM 894 CB ASP A 58 8.664 -9.990 4.808 1.00 0.00 C ATOM 895 CG ASP A 58 9.727 -11.036 4.508 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.466 -12.241 4.715 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.826 -10.646 4.063 1.00 0.00 O ATOM 0 H ASP A 58 6.668 -8.602 5.221 1.00 0.00 H new ATOM 0 HA ASP A 58 7.011 -11.335 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.506 -9.378 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.029 -9.326 5.592 1.00 0.00 H new ATOM 902 N GLN A 59 7.886 -10.524 7.609 1.00 0.00 N ATOM 903 CA GLN A 59 8.068 -11.072 8.950 1.00 0.00 C ATOM 904 C GLN A 59 8.188 -9.964 9.993 1.00 0.00 C ATOM 905 O GLN A 59 7.562 -10.028 11.052 1.00 0.00 O ATOM 906 CB GLN A 59 9.305 -11.976 8.995 1.00 0.00 C ATOM 907 CG GLN A 59 9.463 -12.732 10.303 1.00 0.00 C ATOM 908 CD GLN A 59 10.789 -13.463 10.404 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.834 -14.693 10.402 1.00 0.00 O ATOM 910 NE2 GLN A 59 11.883 -12.712 10.489 1.00 0.00 N ATOM 0 H GLN A 59 8.100 -9.530 7.526 1.00 0.00 H new ATOM 0 HA GLN A 59 7.185 -11.665 9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.250 -12.693 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.194 -11.368 8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.375 -12.033 11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.649 -13.450 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.805 -11.695 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.800 -13.153 10.556 1.00 0.00 H new ATOM 919 N THR A 60 8.990 -8.947 9.684 1.00 0.00 N ATOM 920 CA THR A 60 9.185 -7.822 10.594 1.00 0.00 C ATOM 921 C THR A 60 8.011 -6.834 10.531 1.00 0.00 C ATOM 922 O THR A 60 8.043 -5.789 11.181 1.00 0.00 O ATOM 923 CB THR A 60 10.506 -7.105 10.273 1.00 0.00 C ATOM 924 OG1 THR A 60 10.786 -6.098 11.230 1.00 0.00 O ATOM 925 CG2 THR A 60 10.529 -6.450 8.908 1.00 0.00 C ATOM 0 H THR A 60 9.514 -8.879 8.812 1.00 0.00 H new ATOM 0 HA THR A 60 9.230 -8.217 11.609 1.00 0.00 H new ATOM 0 HB THR A 60 11.259 -7.893 10.293 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.949 -5.675 11.514 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.493 -5.965 8.754 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.376 -7.207 8.139 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.734 -5.706 8.848 1.00 0.00 H new ATOM 933 N GLY A 61 6.976 -7.165 9.748 1.00 0.00 N ATOM 934 CA GLY A 61 5.823 -6.290 9.627 1.00 0.00 C ATOM 935 C GLY A 61 6.180 -4.931 9.055 1.00 0.00 C ATOM 936 O GLY A 61 5.459 -3.952 9.263 1.00 0.00 O ATOM 0 H GLY A 61 6.921 -8.023 9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.077 -6.764 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.366 -6.159 10.608 1.00 0.00 H new ATOM 940 N GLN A 62 7.295 -4.875 8.331 1.00 0.00 N ATOM 941 CA GLN A 62 7.758 -3.631 7.718 1.00 0.00 C ATOM 942 C GLN A 62 7.876 -3.795 6.204 1.00 0.00 C ATOM 943 O GLN A 62 7.424 -2.943 5.441 1.00 0.00 O ATOM 944 CB GLN A 62 9.107 -3.212 8.312 1.00 0.00 C ATOM 945 CG GLN A 62 9.322 -1.706 8.339 1.00 0.00 C ATOM 946 CD GLN A 62 10.145 -1.207 7.167 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.242 -1.702 6.907 1.00 0.00 O ATOM 948 NE2 GLN A 62 9.621 -0.217 6.450 1.00 0.00 N ATOM 0 H GLN A 62 7.897 -5.679 8.154 1.00 0.00 H new ATOM 0 HA GLN A 62 7.027 -2.850 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.183 -3.599 9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.908 -3.674 7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.354 -1.206 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.820 -1.432 9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.709 0.165 6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.131 0.160 5.651 1.00 0.00 H new ATOM 957 N THR A 63 8.471 -4.911 5.787 1.00 0.00 N ATOM 958 CA THR A 63 8.637 -5.217 4.371 1.00 0.00 C ATOM 959 C THR A 63 7.592 -6.243 3.941 1.00 0.00 C ATOM 960 O THR A 63 7.496 -7.319 4.530 1.00 0.00 O ATOM 961 CB THR A 63 10.055 -5.740 4.095 1.00 0.00 C ATOM 962 OG1 THR A 63 10.149 -6.276 2.785 1.00 0.00 O ATOM 963 CG2 THR A 63 10.503 -6.818 5.063 1.00 0.00 C ATOM 0 H THR A 63 8.848 -5.621 6.415 1.00 0.00 H new ATOM 0 HA THR A 63 8.496 -4.305 3.792 1.00 0.00 H new ATOM 0 HB THR A 63 10.705 -4.874 4.217 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.060 -6.602 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.513 -7.140 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.494 -6.422 6.078 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.824 -7.669 5.000 1.00 0.00 H new ATOM 971 N LEU A 64 6.799 -5.898 2.927 1.00 0.00 N ATOM 972 CA LEU A 64 5.753 -6.795 2.436 1.00 0.00 C ATOM 973 C LEU A 64 6.360 -8.028 1.772 1.00 0.00 C ATOM 974 O LEU A 64 7.505 -8.000 1.321 1.00 0.00 O ATOM 975 CB LEU A 64 4.839 -6.066 1.447 1.00 0.00 C ATOM 976 CG LEU A 64 3.647 -5.326 2.069 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.638 -4.959 0.992 1.00 0.00 C ATOM 978 CD2 LEU A 64 2.986 -6.171 3.152 1.00 0.00 C ATOM 0 H LEU A 64 6.860 -5.009 2.432 1.00 0.00 H new ATOM 0 HA LEU A 64 5.160 -7.118 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.438 -5.348 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.458 -6.792 0.728 1.00 0.00 H new ATOM 0 HG LEU A 64 4.016 -4.411 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.797 -4.434 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.113 -4.313 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.280 -5.866 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.144 -5.624 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.630 -7.105 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.711 -6.389 3.937 1.00 0.00 H new ATOM 990 N ARG A 65 5.586 -9.111 1.719 1.00 0.00 N ATOM 991 CA ARG A 65 6.054 -10.356 1.113 1.00 0.00 C ATOM 992 C ARG A 65 6.480 -10.136 -0.340 1.00 0.00 C ATOM 993 O ARG A 65 5.858 -9.354 -1.064 1.00 0.00 O ATOM 994 CB ARG A 65 4.966 -11.433 1.187 1.00 0.00 C ATOM 995 CG ARG A 65 3.687 -11.073 0.439 1.00 0.00 C ATOM 996 CD ARG A 65 2.882 -12.308 0.067 1.00 0.00 C ATOM 997 NE ARG A 65 3.715 -13.357 -0.523 1.00 0.00 N ATOM 998 CZ ARG A 65 3.394 -14.652 -0.526 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.240 -15.065 -0.011 1.00 0.00 N ATOM 1000 NH2 ARG A 65 4.232 -15.538 -1.055 1.00 0.00 N ATOM 0 H ARG A 65 4.636 -9.151 2.087 1.00 0.00 H new ATOM 0 HA ARG A 65 6.924 -10.695 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.362 -12.364 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.723 -11.619 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.077 -10.415 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.939 -10.518 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.387 -12.698 0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.099 -12.030 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 65 4.595 -13.081 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.590 -14.389 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.004 -16.057 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.117 -15.227 -1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.991 -16.529 -1.059 1.00 0.00 H new ATOM 1014 N PRO A 66 7.548 -10.833 -0.787 1.00 0.00 N ATOM 1015 CA PRO A 66 8.061 -10.723 -2.162 1.00 0.00 C ATOM 1016 C PRO A 66 6.971 -10.894 -3.216 1.00 0.00 C ATOM 1017 O PRO A 66 7.021 -10.274 -4.277 1.00 0.00 O ATOM 1018 CB PRO A 66 9.072 -11.867 -2.255 1.00 0.00 C ATOM 1019 CG PRO A 66 9.528 -12.080 -0.854 1.00 0.00 C ATOM 1020 CD PRO A 66 8.336 -11.787 0.017 1.00 0.00 C ATOM 0 HA PRO A 66 8.485 -9.737 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.615 -12.768 -2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.905 -11.608 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.877 -13.102 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.361 -11.421 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.768 -12.691 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.634 -11.356 0.973 1.00 0.00 H new ATOM 1028 N GLY A 67 5.983 -11.737 -2.906 1.00 0.00 N ATOM 1029 CA GLY A 67 4.881 -11.980 -3.825 1.00 0.00 C ATOM 1030 C GLY A 67 4.233 -10.698 -4.330 1.00 0.00 C ATOM 1031 O GLY A 67 3.802 -10.633 -5.480 1.00 0.00 O ATOM 0 H GLY A 67 5.928 -12.257 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.245 -12.556 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.127 -12.590 -3.327 1.00 0.00 H new ATOM 1035 N ILE A 68 4.173 -9.676 -3.473 1.00 0.00 N ATOM 1036 CA ILE A 68 3.580 -8.397 -3.856 1.00 0.00 C ATOM 1037 C ILE A 68 4.619 -7.472 -4.480 1.00 0.00 C ATOM 1038 O ILE A 68 5.614 -7.118 -3.841 1.00 0.00 O ATOM 1039 CB ILE A 68 2.944 -7.673 -2.650 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.889 -8.556 -1.979 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.326 -6.348 -3.087 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.880 -8.429 -0.474 1.00 0.00 C ATOM 0 H ILE A 68 4.526 -9.710 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 68 2.803 -8.627 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 68 3.731 -7.468 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.904 -8.293 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.070 -9.596 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.882 -5.851 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.099 -5.710 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.555 -6.535 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.110 -9.080 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.853 -8.720 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.670 -7.396 -0.197 1.00 0.00 H new ATOM 1054 N LEU A 69 4.376 -7.072 -5.724 1.00 0.00 N ATOM 1055 CA LEU A 69 5.279 -6.176 -6.429 1.00 0.00 C ATOM 1056 C LEU A 69 4.780 -4.741 -6.320 1.00 0.00 C ATOM 1057 O LEU A 69 3.903 -4.318 -7.078 1.00 0.00 O ATOM 1058 CB LEU A 69 5.405 -6.586 -7.902 1.00 0.00 C ATOM 1059 CG LEU A 69 5.610 -8.085 -8.150 1.00 0.00 C ATOM 1060 CD1 LEU A 69 5.355 -8.422 -9.611 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.014 -8.508 -7.739 1.00 0.00 C ATOM 0 H LEU A 69 3.559 -7.356 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 69 6.265 -6.243 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.506 -6.267 -8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.242 -6.044 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 69 4.895 -8.637 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.505 -9.490 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.331 -8.157 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.047 -7.861 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.141 -9.575 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.747 -7.950 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.160 -8.302 -6.679 1.00 0.00 H new ATOM 1073 N VAL A 70 5.335 -3.999 -5.363 1.00 0.00 N ATOM 1074 CA VAL A 70 4.941 -2.611 -5.144 1.00 0.00 C ATOM 1075 C VAL A 70 5.607 -1.685 -6.155 1.00 0.00 C ATOM 1076 O VAL A 70 6.798 -1.817 -6.446 1.00 0.00 O ATOM 1077 CB VAL A 70 5.282 -2.135 -3.717 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.627 -0.792 -3.429 1.00 0.00 C ATOM 1079 CG2 VAL A 70 4.849 -3.166 -2.688 1.00 0.00 C ATOM 0 H VAL A 70 6.058 -4.337 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 70 3.860 -2.570 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 70 6.363 -2.014 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.880 -0.473 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.987 -0.051 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.545 -0.888 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.099 -2.810 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.772 -3.321 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.364 -4.108 -2.877 1.00 0.00 H new ATOM 1089 N LEU A 71 4.825 -0.747 -6.688 1.00 0.00 N ATOM 1090 CA LEU A 71 5.327 0.213 -7.675 1.00 0.00 C ATOM 1091 C LEU A 71 4.982 1.652 -7.283 1.00 0.00 C ATOM 1092 O LEU A 71 4.021 1.894 -6.550 1.00 0.00 O ATOM 1093 CB LEU A 71 4.759 -0.094 -9.068 1.00 0.00 C ATOM 1094 CG LEU A 71 4.347 -1.552 -9.315 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.484 -1.655 -10.565 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.578 -2.441 -9.439 1.00 0.00 C ATOM 0 H LEU A 71 3.839 -0.630 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 71 6.412 0.115 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.890 0.542 -9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.504 0.184 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 71 3.761 -1.895 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.200 -2.695 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.587 -1.049 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.047 -1.295 -11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.267 -3.471 -9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.190 -2.100 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.159 -2.389 -8.518 1.00 0.00 H new ATOM 1108 N VAL A 72 5.774 2.601 -7.786 1.00 0.00 N ATOM 1109 CA VAL A 72 5.564 4.020 -7.505 1.00 0.00 C ATOM 1110 C VAL A 72 5.427 4.816 -8.803 1.00 0.00 C ATOM 1111 O VAL A 72 6.375 4.907 -9.584 1.00 0.00 O ATOM 1112 CB VAL A 72 6.721 4.613 -6.671 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.431 6.057 -6.283 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.978 3.770 -5.431 1.00 0.00 C ATOM 0 H VAL A 72 6.571 2.409 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 72 4.642 4.096 -6.929 1.00 0.00 H new ATOM 0 HB VAL A 72 7.619 4.601 -7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.262 6.450 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.307 6.658 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.517 6.098 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.797 4.206 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.078 3.744 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.243 2.756 -5.729 1.00 0.00 H new ATOM 1124 N ASN A 73 4.238 5.387 -9.019 1.00 0.00 N ATOM 1125 CA ASN A 73 3.950 6.183 -10.217 1.00 0.00 C ATOM 1126 C ASN A 73 3.952 5.312 -11.473 1.00 0.00 C ATOM 1127 O ASN A 73 2.892 4.961 -11.991 1.00 0.00 O ATOM 1128 CB ASN A 73 4.947 7.342 -10.365 1.00 0.00 C ATOM 1129 CG ASN A 73 4.900 8.304 -9.191 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.893 8.395 -8.485 1.00 0.00 O ATOM 1131 ND2 ASN A 73 5.990 9.033 -8.973 1.00 0.00 N ATOM 0 H ASN A 73 3.452 5.312 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 73 2.952 6.605 -10.097 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.955 6.939 -10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.733 7.886 -11.285 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.013 9.697 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.803 8.929 -9.580 1.00 0.00 H new ATOM 1138 N SER A 74 5.143 4.961 -11.955 1.00 0.00 N ATOM 1139 CA SER A 74 5.274 4.125 -13.145 1.00 0.00 C ATOM 1140 C SER A 74 6.591 3.342 -13.122 1.00 0.00 C ATOM 1141 O SER A 74 7.195 3.089 -14.167 1.00 0.00 O ATOM 1142 CB SER A 74 5.190 4.989 -14.408 1.00 0.00 C ATOM 1143 OG SER A 74 4.857 4.209 -15.547 1.00 0.00 O ATOM 0 H SER A 74 6.031 5.243 -11.539 1.00 0.00 H new ATOM 0 HA SER A 74 4.454 3.407 -13.152 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.442 5.769 -14.268 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.145 5.488 -14.573 1.00 0.00 H new ATOM 0 HG SER A 74 5.495 3.471 -15.636 1.00 0.00 H new ATOM 1149 N CYS A 75 7.028 2.957 -11.921 1.00 0.00 N ATOM 1150 CA CYS A 75 8.269 2.204 -11.759 1.00 0.00 C ATOM 1151 C CYS A 75 8.273 1.449 -10.429 1.00 0.00 C ATOM 1152 O CYS A 75 7.573 1.830 -9.492 1.00 0.00 O ATOM 1153 CB CYS A 75 9.474 3.148 -11.838 1.00 0.00 C ATOM 1154 SG CYS A 75 11.078 2.314 -11.787 1.00 0.00 S ATOM 0 H CYS A 75 6.539 3.155 -11.048 1.00 0.00 H new ATOM 0 HA CYS A 75 8.339 1.476 -12.567 1.00 0.00 H new ATOM 0 HB2 CYS A 75 9.408 3.726 -12.759 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.420 3.857 -11.012 1.00 0.00 H new ATOM 0 HG CYS A 75 12.029 3.197 -11.862 1.00 0.00 H new ATOM 1160 N ASP A 76 9.061 0.374 -10.359 1.00 0.00 N ATOM 1161 CA ASP A 76 9.157 -0.445 -9.147 1.00 0.00 C ATOM 1162 C ASP A 76 9.392 0.414 -7.904 1.00 0.00 C ATOM 1163 O ASP A 76 10.200 1.342 -7.922 1.00 0.00 O ATOM 1164 CB ASP A 76 10.284 -1.472 -9.282 1.00 0.00 C ATOM 1165 CG ASP A 76 9.954 -2.573 -10.275 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.906 -3.233 -10.107 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.748 -2.776 -11.216 1.00 0.00 O ATOM 0 H ASP A 76 9.644 0.049 -11.130 1.00 0.00 H new ATOM 0 HA ASP A 76 8.206 -0.964 -9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.197 -0.966 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.485 -1.915 -8.307 1.00 0.00 H new ATOM 1172 N ALA A 77 8.676 0.090 -6.828 1.00 0.00 N ATOM 1173 CA ALA A 77 8.797 0.822 -5.567 1.00 0.00 C ATOM 1174 C ALA A 77 9.989 0.341 -4.743 1.00 0.00 C ATOM 1175 O ALA A 77 10.499 1.078 -3.898 1.00 0.00 O ATOM 1176 CB ALA A 77 7.518 0.685 -4.755 1.00 0.00 C ATOM 0 H ALA A 77 8.004 -0.677 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 77 8.962 1.871 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.621 1.234 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.681 1.090 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.335 -0.368 -4.540 1.00 0.00 H new ATOM 1182 N GLU A 78 10.432 -0.893 -4.987 1.00 0.00 N ATOM 1183 CA GLU A 78 11.564 -1.460 -4.259 1.00 0.00 C ATOM 1184 C GLU A 78 12.874 -0.804 -4.684 1.00 0.00 C ATOM 1185 O GLU A 78 13.873 -0.888 -3.971 1.00 0.00 O ATOM 1186 CB GLU A 78 11.644 -2.977 -4.471 1.00 0.00 C ATOM 1187 CG GLU A 78 10.308 -3.692 -4.323 1.00 0.00 C ATOM 1188 CD GLU A 78 9.773 -3.646 -2.903 1.00 0.00 C ATOM 1189 OE1 GLU A 78 10.284 -4.402 -2.050 1.00 0.00 O ATOM 1190 OE2 GLU A 78 8.844 -2.851 -2.645 1.00 0.00 O ATOM 0 H GLU A 78 10.024 -1.517 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 78 11.407 -1.262 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.042 -3.174 -5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.351 -3.397 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.581 -3.237 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.421 -4.732 -4.631 1.00 0.00 H new ATOM 1197 N VAL A 79 12.867 -0.151 -5.848 1.00 0.00 N ATOM 1198 CA VAL A 79 14.061 0.511 -6.347 1.00 0.00 C ATOM 1199 C VAL A 79 14.369 1.779 -5.548 1.00 0.00 C ATOM 1200 O VAL A 79 15.528 2.057 -5.237 1.00 0.00 O ATOM 1201 CB VAL A 79 13.937 0.872 -7.842 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.254 1.427 -8.364 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.501 -0.338 -8.659 1.00 0.00 C ATOM 0 H VAL A 79 12.051 -0.070 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 79 14.880 -0.199 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 79 13.172 1.641 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.151 1.677 -9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.519 2.323 -7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.037 0.679 -8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.421 -0.058 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.237 -1.134 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.533 -0.688 -8.302 1.00 0.00 H new ATOM 1213 N VAL A 80 13.327 2.544 -5.218 1.00 0.00 N ATOM 1214 CA VAL A 80 13.492 3.785 -4.455 1.00 0.00 C ATOM 1215 C VAL A 80 13.638 3.514 -2.959 1.00 0.00 C ATOM 1216 O VAL A 80 14.281 4.283 -2.243 1.00 0.00 O ATOM 1217 CB VAL A 80 12.311 4.754 -4.672 1.00 0.00 C ATOM 1218 CG1 VAL A 80 12.339 5.323 -6.084 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.979 4.065 -4.390 1.00 0.00 C ATOM 0 H VAL A 80 12.361 2.328 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 80 14.406 4.248 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 80 12.415 5.580 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.499 6.004 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.273 5.863 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.266 4.509 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.163 4.770 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.860 3.214 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.960 3.718 -3.357 1.00 0.00 H new ATOM 1229 N GLY A 81 13.033 2.423 -2.486 1.00 0.00 N ATOM 1230 CA GLY A 81 13.106 2.085 -1.074 1.00 0.00 C ATOM 1231 C GLY A 81 12.289 0.856 -0.714 1.00 0.00 C ATOM 1232 O GLY A 81 12.710 0.049 0.115 1.00 0.00 O ATOM 0 H GLY A 81 12.495 1.770 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.147 1.915 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.756 2.933 -0.485 1.00 0.00 H new ATOM 1236 N GLY A 82 11.116 0.719 -1.334 1.00 0.00 N ATOM 1237 CA GLY A 82 10.253 -0.417 -1.060 1.00 0.00 C ATOM 1238 C GLY A 82 9.151 -0.068 -0.086 1.00 0.00 C ATOM 1239 O GLY A 82 7.985 0.043 -0.471 1.00 0.00 O ATOM 0 H GLY A 82 10.749 1.377 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.814 -0.772 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.848 -1.236 -0.656 1.00 0.00 H new ATOM 1243 N MET A 83 9.520 0.112 1.181 1.00 0.00 N ATOM 1244 CA MET A 83 8.555 0.459 2.220 1.00 0.00 C ATOM 1245 C MET A 83 9.019 1.679 3.021 1.00 0.00 C ATOM 1246 O MET A 83 8.637 1.854 4.180 1.00 0.00 O ATOM 1247 CB MET A 83 8.332 -0.738 3.148 1.00 0.00 C ATOM 1248 CG MET A 83 7.909 -2.004 2.415 1.00 0.00 C ATOM 1249 SD MET A 83 6.142 -2.344 2.561 1.00 0.00 S ATOM 1250 CE MET A 83 5.673 -2.442 0.834 1.00 0.00 C ATOM 0 H MET A 83 10.481 0.023 1.512 1.00 0.00 H new ATOM 0 HA MET A 83 7.611 0.716 1.739 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.251 -0.937 3.699 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.569 -0.481 3.883 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.170 -1.912 1.361 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.471 -2.851 2.809 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.605 -2.648 0.758 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.896 -1.495 0.342 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.232 -3.243 0.350 1.00 0.00 H new ATOM 1260 N ASP A 84 9.844 2.526 2.395 1.00 0.00 N ATOM 1261 CA ASP A 84 10.353 3.727 3.051 1.00 0.00 C ATOM 1262 C ASP A 84 10.308 4.942 2.116 1.00 0.00 C ATOM 1263 O ASP A 84 11.059 5.901 2.301 1.00 0.00 O ATOM 1264 CB ASP A 84 11.787 3.493 3.537 1.00 0.00 C ATOM 1265 CG ASP A 84 12.149 4.377 4.716 1.00 0.00 C ATOM 1266 OD1 ASP A 84 11.551 4.201 5.799 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.031 5.247 4.556 1.00 0.00 O ATOM 0 H ASP A 84 10.171 2.399 1.437 1.00 0.00 H new ATOM 0 HA ASP A 84 9.710 3.938 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.906 2.447 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.481 3.682 2.718 1.00 0.00 H new ATOM 1272 N TYR A 85 9.424 4.901 1.118 1.00 0.00 N ATOM 1273 CA TYR A 85 9.291 6.005 0.170 1.00 0.00 C ATOM 1274 C TYR A 85 8.401 7.107 0.744 1.00 0.00 C ATOM 1275 O TYR A 85 7.235 6.869 1.063 1.00 0.00 O ATOM 1276 CB TYR A 85 8.715 5.502 -1.156 1.00 0.00 C ATOM 1277 CG TYR A 85 8.655 6.557 -2.240 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.800 6.947 -2.924 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.450 7.161 -2.579 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.746 7.908 -3.915 1.00 0.00 C ATOM 1281 CE2 TYR A 85 7.389 8.122 -3.570 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.539 8.493 -4.234 1.00 0.00 C ATOM 1283 OH TYR A 85 8.483 9.449 -5.223 1.00 0.00 O ATOM 0 H TYR A 85 8.793 4.118 0.947 1.00 0.00 H new ATOM 0 HA TYR A 85 10.283 6.420 -0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.319 4.666 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.710 5.117 -0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.748 6.491 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.547 6.875 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.645 8.200 -4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.445 8.581 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 85 7.559 9.760 -5.325 1.00 0.00 H new ATOM 1293 N VAL A 86 8.962 8.309 0.877 1.00 0.00 N ATOM 1294 CA VAL A 86 8.222 9.448 1.417 1.00 0.00 C ATOM 1295 C VAL A 86 7.142 9.923 0.446 1.00 0.00 C ATOM 1296 O VAL A 86 7.393 10.070 -0.751 1.00 0.00 O ATOM 1297 CB VAL A 86 9.155 10.635 1.754 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.110 10.266 2.880 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.923 11.093 0.521 1.00 0.00 C ATOM 0 H VAL A 86 9.926 8.518 0.618 1.00 0.00 H new ATOM 0 HA VAL A 86 7.752 9.099 2.336 1.00 0.00 H new ATOM 0 HB VAL A 86 8.535 11.466 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.757 11.115 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.539 10.004 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.719 9.415 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.571 11.928 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.529 10.269 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.220 11.410 -0.249 1.00 0.00 H new ATOM 1309 N LEU A 87 5.940 10.163 0.972 1.00 0.00 N ATOM 1310 CA LEU A 87 4.823 10.623 0.152 1.00 0.00 C ATOM 1311 C LEU A 87 4.661 12.139 0.254 1.00 0.00 C ATOM 1312 O LEU A 87 4.509 12.686 1.348 1.00 0.00 O ATOM 1313 CB LEU A 87 3.528 9.919 0.576 1.00 0.00 C ATOM 1314 CG LEU A 87 3.258 8.582 -0.124 1.00 0.00 C ATOM 1315 CD1 LEU A 87 4.107 7.476 0.485 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.781 8.227 -0.039 1.00 0.00 C ATOM 0 H LEU A 87 5.717 10.046 1.960 1.00 0.00 H new ATOM 0 HA LEU A 87 5.036 10.373 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.561 9.748 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.689 10.588 0.385 1.00 0.00 H new ATOM 0 HG LEU A 87 3.530 8.683 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.900 6.536 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.162 7.725 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.867 7.374 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.606 7.275 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.486 8.145 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.191 9.006 -0.523 1.00 0.00 H new ATOM 1328 N ASN A 88 4.701 12.812 -0.898 1.00 0.00 N ATOM 1329 CA ASN A 88 4.566 14.269 -0.952 1.00 0.00 C ATOM 1330 C ASN A 88 3.211 14.682 -1.536 1.00 0.00 C ATOM 1331 O ASN A 88 3.110 15.687 -2.240 1.00 0.00 O ATOM 1332 CB ASN A 88 5.707 14.864 -1.788 1.00 0.00 C ATOM 1333 CG ASN A 88 6.886 15.306 -0.940 1.00 0.00 C ATOM 1334 OD1 ASN A 88 7.368 16.432 -1.067 1.00 0.00 O ATOM 1335 ND2 ASN A 88 7.362 14.421 -0.070 1.00 0.00 N ATOM 0 H ASN A 88 4.826 12.369 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 88 4.622 14.656 0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.044 14.124 -2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.331 15.717 -2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.155 14.665 0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.934 13.498 0.004 1.00 0.00 H new ATOM 1342 N ASP A 89 2.173 13.896 -1.234 1.00 0.00 N ATOM 1343 CA ASP A 89 0.818 14.160 -1.719 1.00 0.00 C ATOM 1344 C ASP A 89 0.744 14.082 -3.242 1.00 0.00 C ATOM 1345 O ASP A 89 1.190 14.988 -3.951 1.00 0.00 O ATOM 1346 CB ASP A 89 0.319 15.524 -1.238 1.00 0.00 C ATOM 1347 CG ASP A 89 -0.961 15.409 -0.433 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -1.898 14.726 -0.901 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -1.023 15.993 0.668 1.00 0.00 O ATOM 0 H ASP A 89 2.249 13.064 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 89 0.171 13.386 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.089 15.998 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.149 16.172 -2.098 1.00 0.00 H new ATOM 1354 N GLY A 90 0.171 12.987 -3.735 1.00 0.00 N ATOM 1355 CA GLY A 90 0.035 12.786 -5.168 1.00 0.00 C ATOM 1356 C GLY A 90 0.881 11.631 -5.676 1.00 0.00 C ATOM 1357 O GLY A 90 1.316 11.634 -6.829 1.00 0.00 O ATOM 0 H GLY A 90 -0.204 12.230 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.012 12.598 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.323 13.699 -5.689 1.00 0.00 H new ATOM 1361 N ASP A 91 1.112 10.639 -4.813 1.00 0.00 N ATOM 1362 CA ASP A 91 1.907 9.472 -5.174 1.00 0.00 C ATOM 1363 C ASP A 91 1.008 8.281 -5.496 1.00 0.00 C ATOM 1364 O ASP A 91 -0.113 8.185 -4.990 1.00 0.00 O ATOM 1365 CB ASP A 91 2.867 9.114 -4.035 1.00 0.00 C ATOM 1366 CG ASP A 91 3.992 8.202 -4.482 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.722 8.575 -5.425 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.144 7.114 -3.889 1.00 0.00 O ATOM 0 H ASP A 91 0.757 10.625 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 91 2.487 9.715 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.290 10.029 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.309 8.630 -3.234 1.00 0.00 H new ATOM 1373 N THR A 92 1.503 7.378 -6.341 1.00 0.00 N ATOM 1374 CA THR A 92 0.744 6.194 -6.731 1.00 0.00 C ATOM 1375 C THR A 92 1.426 4.921 -6.237 1.00 0.00 C ATOM 1376 O THR A 92 2.498 4.553 -6.721 1.00 0.00 O ATOM 1377 CB THR A 92 0.575 6.141 -8.254 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.153 7.265 -8.719 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.144 4.896 -8.734 1.00 0.00 C ATOM 0 H THR A 92 2.427 7.445 -6.768 1.00 0.00 H new ATOM 0 HA THR A 92 -0.241 6.260 -6.268 1.00 0.00 H new ATOM 0 HB THR A 92 1.588 6.134 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.248 7.213 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.230 4.922 -9.820 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.420 4.012 -8.435 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.140 4.858 -8.292 1.00 0.00 H new ATOM 1387 N VAL A 93 0.787 4.247 -5.283 1.00 0.00 N ATOM 1388 CA VAL A 93 1.321 3.007 -4.729 1.00 0.00 C ATOM 1389 C VAL A 93 0.340 1.854 -4.938 1.00 0.00 C ATOM 1390 O VAL A 93 -0.831 1.945 -4.560 1.00 0.00 O ATOM 1391 CB VAL A 93 1.647 3.143 -3.225 1.00 0.00 C ATOM 1392 CG1 VAL A 93 0.396 3.469 -2.419 1.00 0.00 C ATOM 1393 CG2 VAL A 93 2.312 1.874 -2.707 1.00 0.00 C ATOM 0 H VAL A 93 -0.102 4.540 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 93 2.248 2.794 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 93 2.345 3.971 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.656 3.559 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.028 4.410 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.336 2.672 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.535 1.987 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.640 1.027 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.237 1.698 -3.255 1.00 0.00 H new ATOM 1403 N GLU A 94 0.823 0.775 -5.552 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.014 -0.389 -5.821 1.00 0.00 C ATOM 1405 C GLU A 94 0.616 -1.666 -5.271 1.00 0.00 C ATOM 1406 O GLU A 94 1.836 -1.764 -5.136 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.246 -0.535 -7.330 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.537 0.780 -8.034 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.682 0.620 -9.534 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -1.784 0.246 -9.986 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.306 0.872 -10.257 1.00 0.00 O ATOM 0 H GLU A 94 1.788 0.684 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.969 -0.236 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.635 -0.991 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.079 -1.218 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.453 1.210 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.267 1.486 -7.824 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.231 -2.646 -4.964 1.00 0.00 N ATOM 1419 CA PHE A 95 0.224 -3.929 -4.434 1.00 0.00 C ATOM 1420 C PHE A 95 -0.212 -5.062 -5.359 1.00 0.00 C ATOM 1421 O PHE A 95 -1.386 -5.438 -5.378 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.339 -4.155 -3.029 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.132 -2.993 -2.096 1.00 0.00 C ATOM 1424 CD1 PHE A 95 1.036 -2.874 -1.361 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -1.109 -2.019 -1.956 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.226 -1.808 -0.503 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -0.924 -0.949 -1.101 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.245 -0.844 -0.374 1.00 0.00 C ATOM 0 H PHE A 95 -1.243 -2.575 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 95 1.312 -3.916 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.406 -4.362 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.128 -5.041 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.807 -3.623 -1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.026 -2.097 -2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.140 -1.728 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.692 -0.197 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.392 -0.009 0.295 1.00 0.00 H new ATOM 1438 N ILE A 96 0.735 -5.596 -6.129 1.00 0.00 N ATOM 1439 CA ILE A 96 0.446 -6.683 -7.065 1.00 0.00 C ATOM 1440 C ILE A 96 0.997 -8.012 -6.547 1.00 0.00 C ATOM 1441 O ILE A 96 2.190 -8.288 -6.672 1.00 0.00 O ATOM 1442 CB ILE A 96 1.039 -6.397 -8.464 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.652 -4.989 -8.932 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.571 -7.440 -9.470 1.00 0.00 C ATOM 1445 CD1 ILE A 96 1.494 -4.481 -10.084 1.00 0.00 C ATOM 0 H ILE A 96 1.709 -5.294 -6.124 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.639 -6.751 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 96 2.125 -6.453 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.396 -4.990 -9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.743 -4.298 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.000 -7.220 -10.448 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.895 -8.429 -9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.517 -7.418 -9.537 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.164 -3.480 -10.362 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.541 -4.447 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.384 -5.150 -10.938 1.00 0.00 H new ATOM 1457 N SER A 97 0.122 -8.829 -5.960 1.00 0.00 N ATOM 1458 CA SER A 97 0.527 -10.127 -5.417 1.00 0.00 C ATOM 1459 C SER A 97 0.362 -11.237 -6.452 1.00 0.00 C ATOM 1460 O SER A 97 -0.617 -11.260 -7.200 1.00 0.00 O ATOM 1461 CB SER A 97 -0.287 -10.468 -4.163 1.00 0.00 C ATOM 1462 OG SER A 97 -0.875 -9.311 -3.593 1.00 0.00 O ATOM 0 H SER A 97 -0.869 -8.616 -5.848 1.00 0.00 H new ATOM 0 HA SER A 97 1.582 -10.055 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.067 -11.185 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.359 -10.948 -3.428 1.00 0.00 H new ATOM 0 HG SER A 97 -1.388 -9.563 -2.797 1.00 0.00 H new ATOM 1468 N THR A 98 1.328 -12.156 -6.486 1.00 0.00 N ATOM 1469 CA THR A 98 1.295 -13.277 -7.427 1.00 0.00 C ATOM 1470 C THR A 98 1.653 -14.595 -6.738 1.00 0.00 C ATOM 1471 O THR A 98 0.950 -15.594 -6.896 1.00 0.00 O ATOM 1472 CB THR A 98 2.249 -13.023 -8.600 1.00 0.00 C ATOM 1473 OG1 THR A 98 3.402 -12.314 -8.173 1.00 0.00 O ATOM 1474 CG2 THR A 98 1.612 -12.235 -9.725 1.00 0.00 C ATOM 0 H THR A 98 2.143 -12.146 -5.873 1.00 0.00 H new ATOM 0 HA THR A 98 0.277 -13.358 -7.807 1.00 0.00 H new ATOM 0 HB THR A 98 2.516 -14.012 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.996 -12.165 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.339 -12.089 -10.524 1.00 0.00 H new ATOM 0 HG22 THR A 98 0.753 -12.783 -10.112 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.285 -11.265 -9.350 1.00 0.00 H new