USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 572 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 62 GLN : amide:sc= 0 K(o=-0.07,f=-1.1!) USER MOD Set 1.2: A 65 SER OG : rot 53:sc= -0.0696 USER MOD Set 2.1: A 7 THR OG1 : rot -74:sc= 1.85 USER MOD Set 2.2: A 9 THR OG1 : rot -14:sc= 0.519 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.7 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.691 K(o=-0.69,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.00532 (180deg=-0.12) USER MOD Single : A 31 GLN : amide:sc= -0.887 K(o=-0.89,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.135 K(o=0.13,f=-0.83) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00321 USER MOD Single : A 57 SER OG : rot 180:sc= -0.213 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 9.256 -8.763 -2.118 1.00 0.00 N ATOM 19 CA GLN A 2 7.839 -8.461 -2.198 1.00 0.00 C ATOM 20 C GLN A 2 7.373 -7.896 -0.863 1.00 0.00 C ATOM 21 O GLN A 2 8.141 -7.855 0.096 1.00 0.00 O ATOM 22 CB GLN A 2 7.065 -9.734 -2.546 1.00 0.00 C ATOM 23 CG GLN A 2 7.284 -10.096 -4.015 1.00 0.00 C ATOM 24 CD GLN A 2 6.547 -11.380 -4.376 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.732 -12.408 -3.728 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.728 -11.330 -5.428 1.00 0.00 N ATOM 0 HA GLN A 2 7.657 -7.721 -2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.393 -10.555 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.002 -9.587 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.935 -9.281 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.350 -10.217 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.604 -10.455 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.225 -12.167 -5.723 1.00 0.00 H new ATOM 35 N ILE A 3 6.106 -7.481 -0.795 1.00 0.00 N ATOM 36 CA ILE A 3 5.523 -6.958 0.427 1.00 0.00 C ATOM 37 C ILE A 3 4.095 -7.480 0.561 1.00 0.00 C ATOM 38 O ILE A 3 3.599 -8.157 -0.337 1.00 0.00 O ATOM 39 CB ILE A 3 5.565 -5.426 0.406 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.746 -4.902 -0.777 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.019 -4.965 0.295 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.679 -3.374 -0.770 1.00 0.00 C ATOM 0 H ILE A 3 5.463 -7.501 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 3 6.094 -7.293 1.293 1.00 0.00 H new ATOM 0 HB ILE A 3 5.135 -5.032 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.191 -5.245 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.737 -5.313 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.055 -3.876 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.584 -5.335 1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.455 -5.356 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.091 -3.032 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.211 -3.035 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.687 -2.965 -0.837 1.00 0.00 H new ATOM 54 N PHE A 4 3.434 -7.171 1.680 1.00 0.00 N ATOM 55 CA PHE A 4 2.093 -7.669 1.935 1.00 0.00 C ATOM 56 C PHE A 4 1.192 -6.547 2.427 1.00 0.00 C ATOM 57 O PHE A 4 1.407 -5.999 3.506 1.00 0.00 O ATOM 58 CB PHE A 4 2.155 -8.800 2.959 1.00 0.00 C ATOM 59 CG PHE A 4 2.854 -10.037 2.446 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.107 -11.080 1.884 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.249 -10.139 2.526 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.754 -12.224 1.399 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.897 -11.280 2.036 1.00 0.00 C ATOM 64 CZ PHE A 4 4.149 -12.321 1.472 1.00 0.00 C ATOM 0 H PHE A 4 3.811 -6.578 2.419 1.00 0.00 H new ATOM 0 HA PHE A 4 1.672 -8.054 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.670 -8.444 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.141 -9.063 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.031 -11.002 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.825 -9.338 2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.178 -13.030 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.973 -11.357 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.649 -13.200 1.093 1.00 0.00 H new ATOM 74 N VAL A 5 0.178 -6.206 1.627 1.00 0.00 N ATOM 75 CA VAL A 5 -0.801 -5.202 1.994 1.00 0.00 C ATOM 76 C VAL A 5 -2.091 -5.908 2.393 1.00 0.00 C ATOM 77 O VAL A 5 -2.621 -6.708 1.624 1.00 0.00 O ATOM 78 CB VAL A 5 -1.037 -4.259 0.812 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.050 -3.186 1.203 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.275 -3.584 0.415 1.00 0.00 C ATOM 0 H VAL A 5 0.020 -6.623 0.709 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.443 -4.608 2.835 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.419 -4.837 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.215 -2.517 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.992 -3.659 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.667 -2.615 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.099 -2.914 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.660 -3.012 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.003 -4.343 0.129 1.00 0.00 H new ATOM 90 N LYS A 6 -2.582 -5.640 3.605 1.00 0.00 N ATOM 91 CA LYS A 6 -3.774 -6.300 4.103 1.00 0.00 C ATOM 92 C LYS A 6 -4.938 -5.316 4.126 1.00 0.00 C ATOM 93 O LYS A 6 -4.874 -4.294 4.807 1.00 0.00 O ATOM 94 CB LYS A 6 -3.487 -6.882 5.487 1.00 0.00 C ATOM 95 CG LYS A 6 -4.659 -7.754 5.926 1.00 0.00 C ATOM 96 CD LYS A 6 -4.278 -8.567 7.160 1.00 0.00 C ATOM 97 CE LYS A 6 -5.426 -9.511 7.511 1.00 0.00 C ATOM 98 NZ LYS A 6 -5.066 -10.386 8.637 1.00 0.00 N ATOM 0 H LYS A 6 -2.168 -4.970 4.253 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.055 -7.122 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.571 -7.472 5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.329 -6.078 6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.524 -7.129 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.947 -8.423 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.368 -9.136 6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.068 -7.902 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.313 -8.931 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.681 -10.118 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.863 -11.017 8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.234 -10.955 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.846 -9.805 9.471 1.00 0.00 H new ATOM 112 N THR A 7 -5.957 -5.581 3.303 1.00 0.00 N ATOM 113 CA THR A 7 -7.100 -4.695 3.159 1.00 0.00 C ATOM 114 C THR A 7 -7.951 -4.705 4.424 1.00 0.00 C ATOM 115 O THR A 7 -7.668 -5.441 5.365 1.00 0.00 O ATOM 116 CB THR A 7 -7.939 -5.151 1.965 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.449 -6.437 2.228 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.085 -5.192 0.699 1.00 0.00 C ATOM 0 H THR A 7 -6.006 -6.417 2.721 1.00 0.00 H new ATOM 0 HA THR A 7 -6.744 -3.678 2.995 1.00 0.00 H new ATOM 0 HB THR A 7 -8.757 -4.447 1.813 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.728 -7.097 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.697 -5.518 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.689 -4.197 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.259 -5.890 0.840 1.00 0.00 H new ATOM 126 N ALA A 8 -8.994 -3.871 4.443 1.00 0.00 N ATOM 127 CA ALA A 8 -9.941 -3.841 5.542 1.00 0.00 C ATOM 128 C ALA A 8 -11.001 -4.925 5.354 1.00 0.00 C ATOM 129 O ALA A 8 -11.885 -5.076 6.196 1.00 0.00 O ATOM 130 CB ALA A 8 -10.597 -2.464 5.605 1.00 0.00 C ATOM 0 H ALA A 8 -9.198 -3.205 3.698 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.416 -4.033 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.309 -2.438 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.832 -1.703 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.119 -2.266 4.669 1.00 0.00 H new ATOM 136 N THR A 9 -10.953 -5.636 4.223 1.00 0.00 N ATOM 137 CA THR A 9 -11.945 -6.649 3.907 1.00 0.00 C ATOM 138 C THR A 9 -11.464 -8.030 4.342 1.00 0.00 C ATOM 139 O THR A 9 -12.196 -9.009 4.208 1.00 0.00 O ATOM 140 CB THR A 9 -12.236 -6.626 2.406 1.00 0.00 C ATOM 141 OG1 THR A 9 -11.042 -6.836 1.685 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.829 -5.274 2.018 1.00 0.00 C ATOM 0 H THR A 9 -10.230 -5.522 3.512 1.00 0.00 H new ATOM 0 HA THR A 9 -12.863 -6.430 4.452 1.00 0.00 H new ATOM 0 HB THR A 9 -12.947 -7.417 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.274 -6.729 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.035 -5.261 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.756 -5.112 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.120 -4.483 2.261 1.00 0.00 H new ATOM 150 N GLY A 10 -10.242 -8.109 4.876 1.00 0.00 N ATOM 151 CA GLY A 10 -9.690 -9.361 5.363 1.00 0.00 C ATOM 152 C GLY A 10 -8.826 -10.032 4.298 1.00 0.00 C ATOM 153 O GLY A 10 -8.216 -11.066 4.561 1.00 0.00 O ATOM 0 H GLY A 10 -9.617 -7.309 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.093 -9.176 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.500 -10.030 5.654 1.00 0.00 H new ATOM 157 N LYS A 11 -8.773 -9.449 3.096 1.00 0.00 N ATOM 158 CA LYS A 11 -7.967 -9.994 2.018 1.00 0.00 C ATOM 159 C LYS A 11 -6.537 -9.478 2.105 1.00 0.00 C ATOM 160 O LYS A 11 -6.312 -8.276 2.232 1.00 0.00 O ATOM 161 CB LYS A 11 -8.581 -9.615 0.672 1.00 0.00 C ATOM 162 CG LYS A 11 -9.927 -10.315 0.491 1.00 0.00 C ATOM 163 CD LYS A 11 -10.456 -10.033 -0.914 1.00 0.00 C ATOM 164 CE LYS A 11 -11.778 -10.766 -1.127 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.279 -10.562 -2.496 1.00 0.00 N ATOM 0 H LYS A 11 -9.282 -8.599 2.853 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.947 -11.080 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.714 -8.535 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.905 -9.895 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.815 -11.389 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.638 -9.961 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.598 -8.961 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.727 -10.355 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.642 -11.831 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.516 -10.409 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.178 -11.070 -2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.430 -9.547 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.583 -10.925 -3.178 1.00 0.00 H new ATOM 179 N THR A 12 -5.569 -10.390 1.987 1.00 0.00 N ATOM 180 CA THR A 12 -4.164 -10.034 1.949 1.00 0.00 C ATOM 181 C THR A 12 -3.701 -10.021 0.497 1.00 0.00 C ATOM 182 O THR A 12 -4.136 -10.853 -0.297 1.00 0.00 O ATOM 183 CB THR A 12 -3.362 -11.040 2.775 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.977 -11.207 4.033 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.933 -10.537 2.968 1.00 0.00 C ATOM 0 H THR A 12 -5.745 -11.392 1.916 1.00 0.00 H new ATOM 0 HA THR A 12 -4.008 -9.043 2.376 1.00 0.00 H new ATOM 0 HB THR A 12 -3.335 -11.995 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.466 -11.853 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.369 -11.260 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.457 -10.412 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.951 -9.580 3.489 1.00 0.00 H new ATOM 193 N ILE A 13 -2.847 -9.058 0.140 1.00 0.00 N ATOM 194 CA ILE A 13 -2.389 -8.913 -1.229 1.00 0.00 C ATOM 195 C ILE A 13 -0.867 -8.871 -1.280 1.00 0.00 C ATOM 196 O ILE A 13 -0.255 -7.904 -0.827 1.00 0.00 O ATOM 197 CB ILE A 13 -2.989 -7.645 -1.844 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.508 -7.635 -1.649 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.648 -7.599 -3.334 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.107 -6.344 -2.204 1.00 0.00 C ATOM 0 H ILE A 13 -2.463 -8.370 0.787 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.721 -9.774 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.571 -6.768 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.951 -8.495 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.746 -7.728 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.073 -6.698 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.565 -7.589 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.063 -8.477 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.187 -6.352 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.677 -5.489 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.885 -6.268 -3.269 1.00 0.00 H new ATOM 212 N THR A 14 -0.257 -9.924 -1.830 1.00 0.00 N ATOM 213 CA THR A 14 1.175 -9.951 -2.054 1.00 0.00 C ATOM 214 C THR A 14 1.502 -8.965 -3.168 1.00 0.00 C ATOM 215 O THR A 14 0.982 -9.089 -4.275 1.00 0.00 O ATOM 216 CB THR A 14 1.607 -11.366 -2.436 1.00 0.00 C ATOM 217 OG1 THR A 14 1.141 -12.278 -1.465 1.00 0.00 O ATOM 218 CG2 THR A 14 3.130 -11.441 -2.517 1.00 0.00 C ATOM 0 H THR A 14 -0.744 -10.770 -2.127 1.00 0.00 H new ATOM 0 HA THR A 14 1.712 -9.666 -1.149 1.00 0.00 H new ATOM 0 HB THR A 14 1.185 -11.619 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.679 -12.192 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.430 -12.453 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.489 -10.740 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.559 -11.184 -1.549 1.00 0.00 H new ATOM 226 N LEU A 15 2.317 -7.953 -2.862 1.00 0.00 N ATOM 227 CA LEU A 15 2.591 -6.891 -3.810 1.00 0.00 C ATOM 228 C LEU A 15 4.079 -6.803 -4.119 1.00 0.00 C ATOM 229 O LEU A 15 4.912 -7.222 -3.318 1.00 0.00 O ATOM 230 CB LEU A 15 2.081 -5.573 -3.227 1.00 0.00 C ATOM 231 CG LEU A 15 1.794 -4.552 -4.326 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.590 -4.997 -5.151 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.490 -3.204 -3.676 1.00 0.00 C ATOM 0 H LEU A 15 2.794 -7.854 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 15 2.078 -7.102 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.174 -5.755 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.821 -5.168 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 15 2.661 -4.468 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.393 -4.263 -5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.799 -5.965 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.283 -5.082 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.283 -2.465 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.621 -3.301 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.349 -2.882 -3.087 1.00 0.00 H new ATOM 245 N GLU A 16 4.403 -6.222 -5.275 1.00 0.00 N ATOM 246 CA GLU A 16 5.772 -5.975 -5.680 1.00 0.00 C ATOM 247 C GLU A 16 5.848 -4.575 -6.272 1.00 0.00 C ATOM 248 O GLU A 16 5.177 -4.285 -7.261 1.00 0.00 O ATOM 249 CB GLU A 16 6.205 -7.032 -6.693 1.00 0.00 C ATOM 250 CG GLU A 16 7.663 -6.801 -7.089 1.00 0.00 C ATOM 251 CD GLU A 16 8.143 -7.857 -8.077 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.284 -8.636 -8.545 1.00 0.00 O ATOM 253 OE2 GLU A 16 9.362 -7.858 -8.354 1.00 0.00 O ATOM 0 H GLU A 16 3.711 -5.910 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 16 6.447 -6.038 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.088 -8.028 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.567 -6.986 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.769 -5.811 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.291 -6.821 -6.199 1.00 0.00 H new ATOM 260 N VAL A 17 6.636 -3.695 -5.651 1.00 0.00 N ATOM 261 CA VAL A 17 6.710 -2.312 -6.086 1.00 0.00 C ATOM 262 C VAL A 17 8.153 -1.927 -6.377 1.00 0.00 C ATOM 263 O VAL A 17 9.082 -2.566 -5.884 1.00 0.00 O ATOM 264 CB VAL A 17 6.115 -1.411 -5.001 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.650 -1.777 -4.773 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.885 -1.582 -3.692 1.00 0.00 C ATOM 0 H VAL A 17 7.226 -3.920 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 17 6.138 -2.187 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 17 6.189 -0.374 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.230 -1.133 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.093 -1.642 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.580 -2.818 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.452 -0.936 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.823 -2.620 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.930 -1.312 -3.846 1.00 0.00 H new ATOM 276 N GLU A 18 8.338 -0.848 -7.141 1.00 0.00 N ATOM 277 CA GLU A 18 9.660 -0.341 -7.452 1.00 0.00 C ATOM 278 C GLU A 18 10.104 0.577 -6.316 1.00 0.00 C ATOM 279 O GLU A 18 9.401 1.529 -5.983 1.00 0.00 O ATOM 280 CB GLU A 18 9.615 0.415 -8.779 1.00 0.00 C ATOM 281 CG GLU A 18 9.418 -0.557 -9.946 1.00 0.00 C ATOM 282 CD GLU A 18 8.060 -1.250 -9.887 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.050 -2.455 -9.554 1.00 0.00 O ATOM 284 OE2 GLU A 18 7.066 -0.596 -10.273 1.00 0.00 O ATOM 0 H GLU A 18 7.576 -0.310 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 18 10.373 -1.159 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.803 1.142 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.540 0.974 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.509 -0.016 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.209 -1.307 -9.931 1.00 0.00 H new ATOM 291 N PRO A 19 11.272 0.304 -5.724 1.00 0.00 N ATOM 292 CA PRO A 19 11.770 1.010 -4.558 1.00 0.00 C ATOM 293 C PRO A 19 11.874 2.519 -4.762 1.00 0.00 C ATOM 294 O PRO A 19 11.844 3.266 -3.787 1.00 0.00 O ATOM 295 CB PRO A 19 13.150 0.416 -4.277 1.00 0.00 C ATOM 296 CG PRO A 19 13.119 -0.964 -4.931 1.00 0.00 C ATOM 297 CD PRO A 19 12.118 -0.817 -6.075 1.00 0.00 C ATOM 0 HA PRO A 19 11.077 0.885 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.941 1.036 -4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.339 0.342 -3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.104 -1.252 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.805 -1.732 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.630 -0.638 -7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.530 -1.726 -6.198 1.00 0.00 H new ATOM 305 N SER A 20 12.000 2.973 -6.012 1.00 0.00 N ATOM 306 CA SER A 20 12.272 4.376 -6.287 1.00 0.00 C ATOM 307 C SER A 20 11.114 5.037 -7.026 1.00 0.00 C ATOM 308 O SER A 20 11.287 6.104 -7.612 1.00 0.00 O ATOM 309 CB SER A 20 13.562 4.487 -7.096 1.00 0.00 C ATOM 310 OG SER A 20 14.618 3.871 -6.390 1.00 0.00 O ATOM 0 H SER A 20 11.917 2.387 -6.843 1.00 0.00 H new ATOM 0 HA SER A 20 12.389 4.901 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.435 4.012 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.798 5.535 -7.282 1.00 0.00 H new ATOM 0 HG SER A 20 15.445 3.941 -6.911 1.00 0.00 H new ATOM 316 N ASP A 21 9.952 4.381 -7.055 1.00 0.00 N ATOM 317 CA ASP A 21 8.801 4.918 -7.761 1.00 0.00 C ATOM 318 C ASP A 21 7.891 5.658 -6.786 1.00 0.00 C ATOM 319 O ASP A 21 6.828 6.137 -7.178 1.00 0.00 O ATOM 320 CB ASP A 21 8.039 3.788 -8.447 1.00 0.00 C ATOM 321 CG ASP A 21 8.651 3.451 -9.801 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.893 2.929 -10.648 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.883 3.617 -9.929 1.00 0.00 O ATOM 0 H ASP A 21 9.790 3.483 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 21 9.143 5.621 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.047 2.903 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.996 4.077 -8.578 1.00 0.00 H new ATOM 328 N THR A 22 8.303 5.729 -5.516 1.00 0.00 N ATOM 329 CA THR A 22 7.585 6.447 -4.474 1.00 0.00 C ATOM 330 C THR A 22 6.385 5.633 -3.995 1.00 0.00 C ATOM 331 O THR A 22 5.925 4.726 -4.686 1.00 0.00 O ATOM 332 CB THR A 22 7.167 7.827 -4.992 1.00 0.00 C ATOM 333 OG1 THR A 22 8.292 8.468 -5.553 1.00 0.00 O ATOM 334 CG2 THR A 22 6.622 8.692 -3.858 1.00 0.00 C ATOM 0 H THR A 22 9.157 5.281 -5.185 1.00 0.00 H new ATOM 0 HA THR A 22 8.240 6.593 -3.615 1.00 0.00 H new ATOM 0 HB THR A 22 6.386 7.695 -5.741 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.032 9.351 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.332 9.667 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.753 8.206 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.392 8.822 -3.097 1.00 0.00 H new ATOM 342 N ILE A 23 5.872 5.975 -2.809 1.00 0.00 N ATOM 343 CA ILE A 23 4.733 5.301 -2.205 1.00 0.00 C ATOM 344 C ILE A 23 3.562 5.245 -3.180 1.00 0.00 C ATOM 345 O ILE A 23 2.740 4.334 -3.105 1.00 0.00 O ATOM 346 CB ILE A 23 4.332 6.051 -0.930 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.423 5.911 0.136 1.00 0.00 C ATOM 348 CG2 ILE A 23 3.007 5.514 -0.388 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.511 4.478 0.659 1.00 0.00 C ATOM 0 H ILE A 23 6.244 6.736 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 23 5.009 4.276 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 23 4.211 7.106 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.384 6.206 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.215 6.590 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.737 6.058 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.227 5.647 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.111 4.454 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.295 4.414 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.557 4.193 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.744 3.804 -0.165 1.00 0.00 H new ATOM 361 N GLU A 24 3.475 6.220 -4.086 1.00 0.00 N ATOM 362 CA GLU A 24 2.384 6.280 -5.041 1.00 0.00 C ATOM 363 C GLU A 24 2.308 4.982 -5.840 1.00 0.00 C ATOM 364 O GLU A 24 1.224 4.564 -6.243 1.00 0.00 O ATOM 365 CB GLU A 24 2.589 7.485 -5.956 1.00 0.00 C ATOM 366 CG GLU A 24 1.349 7.702 -6.820 1.00 0.00 C ATOM 367 CD GLU A 24 1.483 8.973 -7.649 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.827 10.013 -7.047 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.192 8.894 -8.863 1.00 0.00 O ATOM 0 H GLU A 24 4.152 6.978 -4.173 1.00 0.00 H new ATOM 0 HA GLU A 24 1.437 6.396 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.787 8.375 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.461 7.326 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.205 6.846 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.465 7.768 -6.186 1.00 0.00 H new ATOM 376 N ASN A 25 3.454 4.321 -6.027 1.00 0.00 N ATOM 377 CA ASN A 25 3.520 3.072 -6.764 1.00 0.00 C ATOM 378 C ASN A 25 2.796 1.965 -6.009 1.00 0.00 C ATOM 379 O ASN A 25 2.171 1.103 -6.623 1.00 0.00 O ATOM 380 CB ASN A 25 4.986 2.696 -6.967 1.00 0.00 C ATOM 381 CG ASN A 25 5.133 1.475 -7.867 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.817 0.361 -7.459 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.694 1.672 -9.061 1.00 0.00 N ATOM 0 H ASN A 25 4.354 4.641 -5.670 1.00 0.00 H new ATOM 0 HA ASN A 25 3.032 3.197 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.521 3.538 -7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.448 2.494 -6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.877 0.879 -9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.940 2.616 -9.359 1.00 0.00 H new ATOM 390 N VAL A 26 2.832 2.012 -4.675 1.00 0.00 N ATOM 391 CA VAL A 26 2.216 0.976 -3.869 1.00 0.00 C ATOM 392 C VAL A 26 0.709 0.992 -4.084 1.00 0.00 C ATOM 393 O VAL A 26 0.065 -0.055 -4.061 1.00 0.00 O ATOM 394 CB VAL A 26 2.551 1.210 -2.393 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.964 0.084 -1.544 1.00 0.00 C ATOM 396 CG2 VAL A 26 4.066 1.252 -2.196 1.00 0.00 C ATOM 0 H VAL A 26 3.281 2.756 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 26 2.601 0.000 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 26 2.122 2.163 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.205 0.256 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.881 0.061 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.386 -0.869 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.291 1.419 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.501 0.305 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.488 2.063 -2.790 1.00 0.00 H new ATOM 406 N LYS A 27 0.151 2.178 -4.338 1.00 0.00 N ATOM 407 CA LYS A 27 -1.273 2.314 -4.577 1.00 0.00 C ATOM 408 C LYS A 27 -1.604 1.974 -6.026 1.00 0.00 C ATOM 409 O LYS A 27 -2.716 1.541 -6.321 1.00 0.00 O ATOM 410 CB LYS A 27 -1.708 3.744 -4.258 1.00 0.00 C ATOM 411 CG LYS A 27 -1.505 4.028 -2.770 1.00 0.00 C ATOM 412 CD LYS A 27 -2.061 5.408 -2.420 1.00 0.00 C ATOM 413 CE LYS A 27 -1.269 6.492 -3.149 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.782 7.832 -2.824 1.00 0.00 N ATOM 0 H LYS A 27 0.671 3.054 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.811 1.621 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.131 4.451 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.756 3.883 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.004 3.264 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.444 3.981 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.113 5.466 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.006 5.569 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.217 6.425 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.327 6.328 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.226 8.549 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.780 7.900 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.703 7.995 -1.800 1.00 0.00 H new ATOM 428 N ALA A 28 -0.646 2.180 -6.934 1.00 0.00 N ATOM 429 CA ALA A 28 -0.882 1.964 -8.350 1.00 0.00 C ATOM 430 C ALA A 28 -0.940 0.476 -8.677 1.00 0.00 C ATOM 431 O ALA A 28 -1.744 0.059 -9.508 1.00 0.00 O ATOM 432 CB ALA A 28 0.230 2.636 -9.151 1.00 0.00 C ATOM 0 H ALA A 28 0.297 2.496 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.845 2.401 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.058 2.477 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.235 3.705 -8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.191 2.206 -8.870 1.00 0.00 H new ATOM 438 N LYS A 29 -0.124 -0.333 -7.997 1.00 0.00 N ATOM 439 CA LYS A 29 -0.072 -1.757 -8.276 1.00 0.00 C ATOM 440 C LYS A 29 -1.340 -2.443 -7.780 1.00 0.00 C ATOM 441 O LYS A 29 -1.693 -3.514 -8.269 1.00 0.00 O ATOM 442 CB LYS A 29 1.150 -2.366 -7.591 1.00 0.00 C ATOM 443 CG LYS A 29 2.445 -1.755 -8.127 1.00 0.00 C ATOM 444 CD LYS A 29 2.719 -2.227 -9.552 1.00 0.00 C ATOM 445 CE LYS A 29 4.048 -1.634 -10.015 1.00 0.00 C ATOM 446 NZ LYS A 29 5.108 -2.655 -10.033 1.00 0.00 N ATOM 0 H LYS A 29 0.503 -0.022 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 29 0.003 -1.904 -9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.086 -2.203 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.160 -3.444 -7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.375 -0.667 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.278 -2.033 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.757 -3.316 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.913 -1.914 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.932 -1.209 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.336 -0.818 -9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.905 -2.317 -10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.434 -2.834 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.735 -3.536 -10.441 1.00 0.00 H new ATOM 460 N ILE A 30 -2.030 -1.831 -6.815 1.00 0.00 N ATOM 461 CA ILE A 30 -3.239 -2.419 -6.267 1.00 0.00 C ATOM 462 C ILE A 30 -4.456 -1.921 -7.038 1.00 0.00 C ATOM 463 O ILE A 30 -5.465 -2.620 -7.113 1.00 0.00 O ATOM 464 CB ILE A 30 -3.344 -2.070 -4.781 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.189 -2.746 -4.036 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.678 -2.567 -4.220 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.122 -2.257 -2.591 1.00 0.00 C ATOM 0 H ILE A 30 -1.769 -0.935 -6.404 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.200 -3.504 -6.366 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.291 -0.989 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.321 -3.828 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.248 -2.532 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.744 -2.314 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.498 -2.093 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.743 -3.648 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.295 -2.749 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.966 -1.178 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.057 -2.494 -2.083 1.00 0.00 H new ATOM 479 N GLN A 31 -4.351 -0.742 -7.656 1.00 0.00 N ATOM 480 CA GLN A 31 -5.436 -0.218 -8.464 1.00 0.00 C ATOM 481 C GLN A 31 -5.652 -1.125 -9.669 1.00 0.00 C ATOM 482 O GLN A 31 -6.776 -1.281 -10.140 1.00 0.00 O ATOM 483 CB GLN A 31 -5.105 1.207 -8.905 1.00 0.00 C ATOM 484 CG GLN A 31 -6.273 1.777 -9.709 1.00 0.00 C ATOM 485 CD GLN A 31 -6.016 3.223 -10.114 1.00 0.00 C ATOM 486 OE1 GLN A 31 -4.992 3.802 -9.756 1.00 0.00 O ATOM 487 NE2 GLN A 31 -6.960 3.813 -10.848 1.00 0.00 N ATOM 0 H GLN A 31 -3.528 -0.141 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.356 -0.191 -7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.910 1.832 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.198 1.210 -9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.433 1.171 -10.601 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.186 1.720 -9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.793 3.292 -11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.849 4.785 -11.136 1.00 0.00 H new ATOM 496 N ASP A 32 -4.571 -1.742 -10.152 1.00 0.00 N ATOM 497 CA ASP A 32 -4.632 -2.640 -11.290 1.00 0.00 C ATOM 498 C ASP A 32 -5.183 -3.997 -10.869 1.00 0.00 C ATOM 499 O ASP A 32 -5.741 -4.720 -11.692 1.00 0.00 O ATOM 500 CB ASP A 32 -3.227 -2.806 -11.863 1.00 0.00 C ATOM 501 CG ASP A 32 -3.232 -3.745 -13.063 1.00 0.00 C ATOM 502 OD1 ASP A 32 -2.973 -4.949 -12.845 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.400 -3.226 -14.188 1.00 0.00 O ATOM 0 H ASP A 32 -3.636 -1.629 -9.762 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.295 -2.220 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.835 -1.833 -12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.561 -3.197 -11.094 1.00 0.00 H new ATOM 508 N LYS A 33 -5.006 -4.353 -9.594 1.00 0.00 N ATOM 509 CA LYS A 33 -5.373 -5.670 -9.111 1.00 0.00 C ATOM 510 C LYS A 33 -6.784 -5.671 -8.536 1.00 0.00 C ATOM 511 O LYS A 33 -7.650 -6.396 -9.020 1.00 0.00 O ATOM 512 CB LYS A 33 -4.361 -6.104 -8.052 1.00 0.00 C ATOM 513 CG LYS A 33 -4.557 -7.575 -7.686 1.00 0.00 C ATOM 514 CD LYS A 33 -4.186 -8.456 -8.877 1.00 0.00 C ATOM 515 CE LYS A 33 -4.246 -9.924 -8.466 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.885 -10.801 -9.592 1.00 0.00 N ATOM 0 H LYS A 33 -4.609 -3.740 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.361 -6.374 -9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.348 -5.949 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.471 -5.485 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.939 -7.831 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.593 -7.753 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.870 -8.272 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.185 -8.207 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.568 -10.100 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.250 -10.167 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.933 -11.794 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.548 -10.647 -10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.918 -10.582 -9.907 1.00 0.00 H new ATOM 530 N GLU A 34 -7.013 -4.877 -7.487 1.00 0.00 N ATOM 531 CA GLU A 34 -8.295 -4.868 -6.807 1.00 0.00 C ATOM 532 C GLU A 34 -9.250 -3.896 -7.492 1.00 0.00 C ATOM 533 O GLU A 34 -10.455 -3.941 -7.256 1.00 0.00 O ATOM 534 CB GLU A 34 -8.082 -4.481 -5.343 1.00 0.00 C ATOM 535 CG GLU A 34 -9.322 -4.819 -4.514 1.00 0.00 C ATOM 536 CD GLU A 34 -9.659 -6.302 -4.608 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.821 -6.603 -4.956 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.758 -7.111 -4.296 1.00 0.00 O ATOM 0 H GLU A 34 -6.323 -4.235 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.741 -5.862 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.216 -5.008 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.868 -3.415 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.152 -4.547 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.169 -4.228 -4.863 1.00 0.00 H new ATOM 545 N GLY A 35 -8.717 -3.032 -8.360 1.00 0.00 N ATOM 546 CA GLY A 35 -9.534 -2.115 -9.133 1.00 0.00 C ATOM 547 C GLY A 35 -9.917 -0.883 -8.319 1.00 0.00 C ATOM 548 O GLY A 35 -10.595 0.003 -8.834 1.00 0.00 O ATOM 0 H GLY A 35 -7.716 -2.954 -8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.991 -1.807 -10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.437 -2.625 -9.469 1.00 0.00 H new ATOM 552 N ILE A 36 -9.502 -0.828 -7.050 1.00 0.00 N ATOM 553 CA ILE A 36 -9.843 0.285 -6.179 1.00 0.00 C ATOM 554 C ILE A 36 -9.108 1.543 -6.635 1.00 0.00 C ATOM 555 O ILE A 36 -7.880 1.592 -6.577 1.00 0.00 O ATOM 556 CB ILE A 36 -9.466 -0.062 -4.738 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.180 -1.351 -4.322 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.876 1.085 -3.814 1.00 0.00 C ATOM 559 CD1 ILE A 36 -9.737 -1.785 -2.926 1.00 0.00 C ATOM 0 H ILE A 36 -8.928 -1.546 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.916 0.473 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.389 -0.211 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.259 -1.196 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.963 -2.141 -5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.608 0.838 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.360 1.997 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.953 1.239 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.256 -2.703 -2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.661 -1.961 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.978 -1.001 -2.208 1.00 0.00 H new ATOM 571 N PRO A 37 -9.853 2.576 -7.048 1.00 0.00 N ATOM 572 CA PRO A 37 -9.293 3.834 -7.501 1.00 0.00 C ATOM 573 C PRO A 37 -8.482 4.503 -6.393 1.00 0.00 C ATOM 574 O PRO A 37 -8.625 4.156 -5.221 1.00 0.00 O ATOM 575 CB PRO A 37 -10.487 4.706 -7.896 1.00 0.00 C ATOM 576 CG PRO A 37 -11.648 3.728 -8.075 1.00 0.00 C ATOM 577 CD PRO A 37 -11.294 2.556 -7.165 1.00 0.00 C ATOM 0 HA PRO A 37 -8.611 3.684 -8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.708 5.445 -7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.288 5.255 -8.816 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.598 4.181 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.745 3.411 -9.113 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.768 2.660 -6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.640 1.613 -7.588 1.00 0.00 H new ATOM 585 N PRO A 38 -7.701 5.528 -6.750 1.00 0.00 N ATOM 586 CA PRO A 38 -6.906 6.297 -5.815 1.00 0.00 C ATOM 587 C PRO A 38 -7.797 7.017 -4.808 1.00 0.00 C ATOM 588 O PRO A 38 -9.003 7.133 -5.016 1.00 0.00 O ATOM 589 CB PRO A 38 -6.130 7.310 -6.660 1.00 0.00 C ATOM 590 CG PRO A 38 -6.207 6.779 -8.092 1.00 0.00 C ATOM 591 CD PRO A 38 -7.481 5.942 -8.117 1.00 0.00 C ATOM 0 HA PRO A 38 -6.238 5.654 -5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.569 8.305 -6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.096 7.392 -6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.252 7.593 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.332 6.179 -8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.324 6.523 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.371 5.080 -8.775 1.00 0.00 H new ATOM 599 N ASP A 39 -7.180 7.553 -3.750 1.00 0.00 N ATOM 600 CA ASP A 39 -7.841 8.364 -2.735 1.00 0.00 C ATOM 601 C ASP A 39 -8.749 7.527 -1.841 1.00 0.00 C ATOM 602 O ASP A 39 -8.805 7.750 -0.633 1.00 0.00 O ATOM 603 CB ASP A 39 -8.622 9.498 -3.396 1.00 0.00 C ATOM 604 CG ASP A 39 -9.044 10.528 -2.358 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.216 10.455 -1.929 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.148 11.275 -1.908 1.00 0.00 O ATOM 0 H ASP A 39 -6.183 7.429 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.070 8.792 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.008 9.974 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.502 9.097 -3.898 1.00 0.00 H new ATOM 611 N GLN A 40 -9.458 6.560 -2.426 1.00 0.00 N ATOM 612 CA GLN A 40 -10.349 5.702 -1.669 1.00 0.00 C ATOM 613 C GLN A 40 -9.531 4.780 -0.774 1.00 0.00 C ATOM 614 O GLN A 40 -10.069 4.175 0.151 1.00 0.00 O ATOM 615 CB GLN A 40 -11.217 4.892 -2.631 1.00 0.00 C ATOM 616 CG GLN A 40 -12.207 5.826 -3.326 1.00 0.00 C ATOM 617 CD GLN A 40 -13.076 5.065 -4.319 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.726 4.087 -3.957 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.114 5.535 -5.566 1.00 0.00 N ATOM 0 H GLN A 40 -9.427 6.357 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.000 6.309 -1.040 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.591 4.391 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.753 4.114 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.839 6.310 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.664 6.616 -3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.557 6.350 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.700 5.079 -6.265 1.00 0.00 H new ATOM 628 N GLN A 41 -8.230 4.673 -1.055 1.00 0.00 N ATOM 629 CA GLN A 41 -7.336 3.824 -0.295 1.00 0.00 C ATOM 630 C GLN A 41 -6.304 4.672 0.441 1.00 0.00 C ATOM 631 O GLN A 41 -5.916 5.735 -0.038 1.00 0.00 O ATOM 632 CB GLN A 41 -6.671 2.831 -1.248 1.00 0.00 C ATOM 633 CG GLN A 41 -5.768 3.573 -2.234 1.00 0.00 C ATOM 634 CD GLN A 41 -5.266 2.636 -3.323 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.192 2.053 -3.197 1.00 0.00 O ATOM 636 NE2 GLN A 41 -6.046 2.491 -4.395 1.00 0.00 N ATOM 0 H GLN A 41 -7.776 5.176 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.895 3.267 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.086 2.107 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.432 2.271 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.317 4.400 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.921 4.006 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.930 2.996 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.759 1.875 -5.155 1.00 0.00 H new ATOM 645 N ARG A 42 -5.819 4.166 1.579 1.00 0.00 N ATOM 646 CA ARG A 42 -4.847 4.859 2.411 1.00 0.00 C ATOM 647 C ARG A 42 -3.919 3.835 3.050 1.00 0.00 C ATOM 648 O ARG A 42 -4.370 2.768 3.461 1.00 0.00 O ATOM 649 CB ARG A 42 -5.588 5.654 3.485 1.00 0.00 C ATOM 650 CG ARG A 42 -6.140 6.953 2.898 1.00 0.00 C ATOM 651 CD ARG A 42 -7.270 7.478 3.779 1.00 0.00 C ATOM 652 NE ARG A 42 -8.506 6.727 3.541 1.00 0.00 N ATOM 653 CZ ARG A 42 -9.136 6.001 4.475 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.614 5.888 5.704 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.274 5.364 4.169 1.00 0.00 N ATOM 0 H ARG A 42 -6.096 3.256 1.946 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.253 5.546 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.403 5.056 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.913 5.878 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.346 7.697 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.506 6.779 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.987 7.398 4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.436 8.536 3.574 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.912 6.759 2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.736 6.355 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.095 5.335 6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.659 5.432 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.755 4.811 4.878 1.00 0.00 H new ATOM 669 N LEU A 43 -2.633 4.174 3.177 1.00 0.00 N ATOM 670 CA LEU A 43 -1.636 3.238 3.672 1.00 0.00 C ATOM 671 C LEU A 43 -1.055 3.711 5.000 1.00 0.00 C ATOM 672 O LEU A 43 -1.061 4.903 5.300 1.00 0.00 O ATOM 673 CB LEU A 43 -0.523 3.105 2.632 1.00 0.00 C ATOM 674 CG LEU A 43 -0.926 2.136 1.521 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.101 2.213 0.395 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.965 0.705 2.057 1.00 0.00 C ATOM 0 H LEU A 43 -2.263 5.095 2.941 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.109 2.270 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.301 4.083 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.389 2.753 3.113 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.915 2.409 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.180 1.524 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.134 3.229 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.084 1.941 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.253 0.024 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.021 0.429 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.691 0.640 2.868 1.00 0.00 H new ATOM 688 N ALA A 44 -0.518 2.763 5.775 1.00 0.00 N ATOM 689 CA ALA A 44 0.137 3.037 7.042 1.00 0.00 C ATOM 690 C ALA A 44 1.040 1.861 7.405 1.00 0.00 C ATOM 691 O ALA A 44 0.974 0.809 6.771 1.00 0.00 O ATOM 692 CB ALA A 44 -0.918 3.248 8.125 1.00 0.00 C ATOM 0 H ALA A 44 -0.530 1.773 5.530 1.00 0.00 H new ATOM 0 HA ALA A 44 0.742 3.940 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.427 3.454 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.553 4.092 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.528 2.350 8.218 1.00 0.00 H new ATOM 698 N PHE A 45 1.864 2.031 8.442 1.00 0.00 N ATOM 699 CA PHE A 45 2.751 0.983 8.918 1.00 0.00 C ATOM 700 C PHE A 45 2.859 1.049 10.435 1.00 0.00 C ATOM 701 O PHE A 45 3.473 1.967 10.971 1.00 0.00 O ATOM 702 CB PHE A 45 4.123 1.139 8.260 1.00 0.00 C ATOM 703 CG PHE A 45 5.044 -0.043 8.475 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.606 -0.277 9.737 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.331 -0.911 7.414 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.467 -1.364 9.931 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.190 -2.001 7.609 1.00 0.00 C ATOM 708 CZ PHE A 45 6.762 -2.225 8.867 1.00 0.00 C ATOM 0 H PHE A 45 1.930 2.901 8.971 1.00 0.00 H new ATOM 0 HA PHE A 45 2.348 0.007 8.649 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.986 1.291 7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.603 2.037 8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.375 0.382 10.561 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.889 -0.740 6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.904 -1.539 10.903 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.411 -2.668 6.789 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.430 -3.061 9.017 1.00 0.00 H new ATOM 718 N ALA A 46 2.279 0.063 11.126 1.00 0.00 N ATOM 719 CA ALA A 46 2.286 0.016 12.579 1.00 0.00 C ATOM 720 C ALA A 46 1.733 1.312 13.170 1.00 0.00 C ATOM 721 O ALA A 46 2.003 1.630 14.326 1.00 0.00 O ATOM 722 CB ALA A 46 3.703 -0.266 13.076 1.00 0.00 C ATOM 0 H ALA A 46 1.794 -0.721 10.689 1.00 0.00 H new ATOM 0 HA ALA A 46 1.635 -0.792 12.913 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.706 -0.301 14.165 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.043 -1.223 12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.372 0.525 12.736 1.00 0.00 H new ATOM 728 N GLY A 47 0.975 2.065 12.369 1.00 0.00 N ATOM 729 CA GLY A 47 0.348 3.296 12.817 1.00 0.00 C ATOM 730 C GLY A 47 1.087 4.513 12.277 1.00 0.00 C ATOM 731 O GLY A 47 0.584 5.631 12.366 1.00 0.00 O ATOM 0 H GLY A 47 0.783 1.833 11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.690 3.321 12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.337 3.327 13.907 1.00 0.00 H new ATOM 735 N LYS A 48 2.262 4.296 11.682 1.00 0.00 N ATOM 736 CA LYS A 48 3.019 5.374 11.078 1.00 0.00 C ATOM 737 C LYS A 48 2.406 5.705 9.726 1.00 0.00 C ATOM 738 O LYS A 48 2.289 4.831 8.869 1.00 0.00 O ATOM 739 CB LYS A 48 4.479 4.947 10.920 1.00 0.00 C ATOM 740 CG LYS A 48 5.051 4.548 12.279 1.00 0.00 C ATOM 741 CD LYS A 48 6.507 4.118 12.127 1.00 0.00 C ATOM 742 CE LYS A 48 7.073 3.762 13.500 1.00 0.00 C ATOM 743 NZ LYS A 48 8.478 3.336 13.401 1.00 0.00 N ATOM 0 H LYS A 48 2.703 3.379 11.610 1.00 0.00 H new ATOM 0 HA LYS A 48 2.987 6.261 11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.550 4.110 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.062 5.764 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.981 5.386 12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.465 3.733 12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.577 3.260 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.091 4.921 11.677 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.997 4.624 14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.479 2.964 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.837 3.100 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.545 2.499 12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.047 4.107 12.997 1.00 0.00 H new ATOM 757 N GLN A 49 1.984 6.957 9.546 1.00 0.00 N ATOM 758 CA GLN A 49 1.372 7.377 8.302 1.00 0.00 C ATOM 759 C GLN A 49 2.421 7.394 7.198 1.00 0.00 C ATOM 760 O GLN A 49 3.551 7.824 7.420 1.00 0.00 O ATOM 761 CB GLN A 49 0.746 8.762 8.482 1.00 0.00 C ATOM 762 CG GLN A 49 1.806 9.787 8.888 1.00 0.00 C ATOM 763 CD GLN A 49 1.177 11.148 9.160 1.00 0.00 C ATOM 764 OE1 GLN A 49 0.055 11.229 9.653 1.00 0.00 O ATOM 765 NE2 GLN A 49 1.904 12.220 8.842 1.00 0.00 N ATOM 0 H GLN A 49 2.058 7.691 10.250 1.00 0.00 H new ATOM 0 HA GLN A 49 0.586 6.676 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.269 9.074 7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.034 8.718 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.329 9.440 9.779 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.550 9.878 8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.832 12.104 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.532 13.155 9.007 1.00 0.00 H new ATOM 774 N LEU A 50 2.043 6.935 6.002 1.00 0.00 N ATOM 775 CA LEU A 50 2.939 6.966 4.862 1.00 0.00 C ATOM 776 C LEU A 50 2.617 8.188 4.016 1.00 0.00 C ATOM 777 O LEU A 50 1.488 8.675 4.033 1.00 0.00 O ATOM 778 CB LEU A 50 2.782 5.684 4.044 1.00 0.00 C ATOM 779 CG LEU A 50 3.091 4.460 4.906 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.006 3.208 4.033 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.490 4.559 5.513 1.00 0.00 C ATOM 0 H LEU A 50 1.123 6.540 5.807 1.00 0.00 H new ATOM 0 HA LEU A 50 3.973 7.029 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.766 5.616 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.451 5.709 3.184 1.00 0.00 H new ATOM 0 HG LEU A 50 2.366 4.409 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.225 2.328 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.002 3.122 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.730 3.280 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.686 3.676 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.230 4.620 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.554 5.451 6.136 1.00 0.00 H new ATOM 793 N GLU A 51 3.608 8.683 3.271 1.00 0.00 N ATOM 794 CA GLU A 51 3.424 9.853 2.436 1.00 0.00 C ATOM 795 C GLU A 51 4.302 9.739 1.194 1.00 0.00 C ATOM 796 O GLU A 51 5.317 9.044 1.211 1.00 0.00 O ATOM 797 CB GLU A 51 3.778 11.092 3.257 1.00 0.00 C ATOM 798 CG GLU A 51 3.431 12.368 2.496 1.00 0.00 C ATOM 799 CD GLU A 51 3.622 13.585 3.392 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.799 13.925 3.641 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.600 14.054 3.935 1.00 0.00 O ATOM 0 H GLU A 51 4.546 8.284 3.235 1.00 0.00 H new ATOM 0 HA GLU A 51 2.389 9.932 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.239 11.071 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.842 11.084 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.063 12.456 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.399 12.323 2.147 1.00 0.00 H new ATOM 808 N ASP A 52 3.894 10.405 0.111 1.00 0.00 N ATOM 809 CA ASP A 52 4.630 10.393 -1.141 1.00 0.00 C ATOM 810 C ASP A 52 5.707 11.472 -1.136 1.00 0.00 C ATOM 811 O ASP A 52 5.715 12.345 -0.270 1.00 0.00 O ATOM 812 CB ASP A 52 3.665 10.609 -2.305 1.00 0.00 C ATOM 813 CG ASP A 52 2.958 11.954 -2.196 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.845 11.965 -1.625 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.520 12.936 -2.726 1.00 0.00 O ATOM 0 H ASP A 52 3.043 10.966 0.085 1.00 0.00 H new ATOM 0 HA ASP A 52 5.118 9.425 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.211 10.558 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.926 9.808 -2.321 1.00 0.00 H new ATOM 820 N GLY A 53 6.638 11.386 -2.090 1.00 0.00 N ATOM 821 CA GLY A 53 7.690 12.374 -2.242 1.00 0.00 C ATOM 822 C GLY A 53 9.027 11.823 -1.765 1.00 0.00 C ATOM 823 O GLY A 53 10.037 12.521 -1.814 1.00 0.00 O ATOM 0 H GLY A 53 6.677 10.629 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.767 12.671 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.438 13.270 -1.674 1.00 0.00 H new ATOM 827 N ARG A 54 9.032 10.580 -1.275 1.00 0.00 N ATOM 828 CA ARG A 54 10.243 9.966 -0.767 1.00 0.00 C ATOM 829 C ARG A 54 10.316 8.510 -1.212 1.00 0.00 C ATOM 830 O ARG A 54 9.289 7.877 -1.447 1.00 0.00 O ATOM 831 CB ARG A 54 10.244 10.094 0.756 1.00 0.00 C ATOM 832 CG ARG A 54 11.453 9.402 1.380 1.00 0.00 C ATOM 833 CD ARG A 54 11.455 9.693 2.879 1.00 0.00 C ATOM 834 NE ARG A 54 12.494 8.929 3.571 1.00 0.00 N ATOM 835 CZ ARG A 54 12.546 8.801 4.904 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.630 9.407 5.670 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.499 8.050 5.468 1.00 0.00 N ATOM 0 H ARG A 54 8.205 9.985 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 54 11.125 10.468 -1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.245 11.148 1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.329 9.660 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.408 8.327 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.374 9.763 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.614 10.759 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.480 9.448 3.300 1.00 0.00 H new ATOM 0 HE ARG A 54 13.214 8.472 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.893 9.965 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.669 9.310 6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.186 7.575 4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.538 7.953 6.483 1.00 0.00 H new ATOM 851 N THR A 55 11.536 7.970 -1.273 1.00 0.00 N ATOM 852 CA THR A 55 11.772 6.585 -1.635 1.00 0.00 C ATOM 853 C THR A 55 11.067 5.683 -0.630 1.00 0.00 C ATOM 854 O THR A 55 11.348 5.748 0.565 1.00 0.00 O ATOM 855 CB THR A 55 13.281 6.334 -1.633 1.00 0.00 C ATOM 856 OG1 THR A 55 13.923 7.326 -2.403 1.00 0.00 O ATOM 857 CG2 THR A 55 13.595 4.964 -2.222 1.00 0.00 C ATOM 0 H THR A 55 12.388 8.492 -1.070 1.00 0.00 H new ATOM 0 HA THR A 55 11.378 6.369 -2.628 1.00 0.00 H new ATOM 0 HB THR A 55 13.639 6.369 -0.604 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.890 7.167 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.673 4.802 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.107 4.192 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.230 4.917 -3.248 1.00 0.00 H new ATOM 865 N LEU A 56 10.120 4.871 -1.105 1.00 0.00 N ATOM 866 CA LEU A 56 9.304 4.058 -0.222 1.00 0.00 C ATOM 867 C LEU A 56 10.154 3.051 0.546 1.00 0.00 C ATOM 868 O LEU A 56 9.843 2.737 1.693 1.00 0.00 O ATOM 869 CB LEU A 56 8.212 3.356 -1.036 1.00 0.00 C ATOM 870 CG LEU A 56 8.796 2.386 -2.066 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.897 0.979 -1.477 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.867 2.331 -3.275 1.00 0.00 C ATOM 0 H LEU A 56 9.905 4.764 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 56 8.832 4.706 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.550 2.813 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.604 4.103 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 56 9.789 2.733 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.314 0.302 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.545 0.997 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.904 0.634 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.274 1.642 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.882 1.986 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.781 3.325 -3.713 1.00 0.00 H new ATOM 884 N SER A 57 11.249 2.578 -0.055 1.00 0.00 N ATOM 885 CA SER A 57 12.087 1.581 0.589 1.00 0.00 C ATOM 886 C SER A 57 12.898 2.220 1.709 1.00 0.00 C ATOM 887 O SER A 57 13.305 1.538 2.649 1.00 0.00 O ATOM 888 CB SER A 57 13.015 0.954 -0.448 1.00 0.00 C ATOM 889 OG SER A 57 13.817 1.956 -1.033 1.00 0.00 O ATOM 0 H SER A 57 11.568 2.870 -0.979 1.00 0.00 H new ATOM 0 HA SER A 57 11.457 0.804 1.022 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.645 0.199 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.430 0.448 -1.216 1.00 0.00 H new ATOM 0 HG SER A 57 14.413 1.551 -1.697 1.00 0.00 H new ATOM 895 N ASP A 58 13.100 3.536 1.631 1.00 0.00 N ATOM 896 CA ASP A 58 13.846 4.259 2.641 1.00 0.00 C ATOM 897 C ASP A 58 12.895 4.791 3.706 1.00 0.00 C ATOM 898 O ASP A 58 13.329 5.180 4.788 1.00 0.00 O ATOM 899 CB ASP A 58 14.599 5.409 1.975 1.00 0.00 C ATOM 900 CG ASP A 58 15.506 6.119 2.970 1.00 0.00 C ATOM 901 OD1 ASP A 58 15.111 7.219 3.415 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.605 5.579 3.219 1.00 0.00 O ATOM 0 H ASP A 58 12.751 4.119 0.870 1.00 0.00 H new ATOM 0 HA ASP A 58 14.561 3.591 3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.193 5.026 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.887 6.120 1.556 1.00 0.00 H new ATOM 907 N TYR A 59 11.594 4.788 3.404 1.00 0.00 N ATOM 908 CA TYR A 59 10.595 5.336 4.300 1.00 0.00 C ATOM 909 C TYR A 59 10.254 4.348 5.411 1.00 0.00 C ATOM 910 O TYR A 59 10.615 4.570 6.565 1.00 0.00 O ATOM 911 CB TYR A 59 9.351 5.716 3.497 1.00 0.00 C ATOM 912 CG TYR A 59 8.664 6.959 4.010 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.353 7.997 3.121 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.341 7.076 5.369 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.718 9.155 3.587 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.703 8.230 5.842 1.00 0.00 C ATOM 917 CZ TYR A 59 7.390 9.276 4.951 1.00 0.00 C ATOM 918 OH TYR A 59 6.769 10.400 5.406 1.00 0.00 O ATOM 0 H TYR A 59 11.215 4.407 2.537 1.00 0.00 H new ATOM 0 HA TYR A 59 10.996 6.230 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.633 5.869 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.646 4.885 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.604 7.904 2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.584 6.276 6.052 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.480 9.954 2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.451 8.318 6.889 1.00 0.00 H new ATOM 0 HH TYR A 59 6.614 10.320 6.370 1.00 0.00 H new ATOM 928 N ASN A 60 9.512 3.286 5.079 1.00 0.00 N ATOM 929 CA ASN A 60 9.073 2.322 6.074 1.00 0.00 C ATOM 930 C ASN A 60 8.943 0.930 5.462 1.00 0.00 C ATOM 931 O ASN A 60 8.964 -0.060 6.189 1.00 0.00 O ATOM 932 CB ASN A 60 7.726 2.758 6.650 1.00 0.00 C ATOM 933 CG ASN A 60 7.903 3.783 7.762 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.648 3.549 8.712 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.172 4.896 7.676 1.00 0.00 N ATOM 0 H ASN A 60 9.207 3.079 4.128 1.00 0.00 H new ATOM 0 HA ASN A 60 9.818 2.281 6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.110 3.182 5.857 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.195 1.888 7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.218 5.595 8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.567 5.048 6.869 1.00 0.00 H new ATOM 942 N ILE A 61 8.732 0.850 4.145 1.00 0.00 N ATOM 943 CA ILE A 61 8.549 -0.432 3.485 1.00 0.00 C ATOM 944 C ILE A 61 9.741 -1.331 3.792 1.00 0.00 C ATOM 945 O ILE A 61 10.885 -0.879 3.775 1.00 0.00 O ATOM 946 CB ILE A 61 8.382 -0.225 1.976 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.936 0.163 1.661 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.688 -1.530 1.241 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.667 1.610 2.069 1.00 0.00 C ATOM 0 H ILE A 61 8.685 1.657 3.523 1.00 0.00 H new ATOM 0 HA ILE A 61 7.646 -0.915 3.857 1.00 0.00 H new ATOM 0 HB ILE A 61 9.064 0.563 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.744 0.038 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.252 -0.502 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.568 -1.380 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.713 -1.835 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.001 -2.307 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.634 1.867 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.838 1.724 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.337 2.273 1.522 1.00 0.00 H new ATOM 961 N GLN A 62 9.469 -2.608 4.074 1.00 0.00 N ATOM 962 CA GLN A 62 10.507 -3.567 4.396 1.00 0.00 C ATOM 963 C GLN A 62 10.290 -4.843 3.592 1.00 0.00 C ATOM 964 O GLN A 62 9.231 -5.034 2.997 1.00 0.00 O ATOM 965 CB GLN A 62 10.474 -3.862 5.894 1.00 0.00 C ATOM 966 CG GLN A 62 11.105 -2.708 6.672 1.00 0.00 C ATOM 967 CD GLN A 62 10.947 -2.916 8.172 1.00 0.00 C ATOM 968 OE1 GLN A 62 10.520 -3.980 8.613 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.255 -1.882 8.956 1.00 0.00 N ATOM 0 H GLN A 62 8.526 -2.996 4.083 1.00 0.00 H new ATOM 0 HA GLN A 62 11.484 -3.157 4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.445 -4.011 6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.011 -4.787 6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.163 -2.630 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.637 -1.768 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.607 -1.017 8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.139 -1.956 9.967 1.00 0.00 H new ATOM 978 N LYS A 63 11.304 -5.710 3.575 1.00 0.00 N ATOM 979 CA LYS A 63 11.270 -6.949 2.821 1.00 0.00 C ATOM 980 C LYS A 63 10.220 -7.902 3.382 1.00 0.00 C ATOM 981 O LYS A 63 10.277 -8.281 4.550 1.00 0.00 O ATOM 982 CB LYS A 63 12.661 -7.586 2.824 1.00 0.00 C ATOM 983 CG LYS A 63 13.191 -7.750 4.249 1.00 0.00 C ATOM 984 CD LYS A 63 14.589 -8.360 4.196 1.00 0.00 C ATOM 985 CE LYS A 63 15.116 -8.546 5.615 1.00 0.00 C ATOM 986 NZ LYS A 63 16.484 -9.089 5.606 1.00 0.00 N ATOM 0 H LYS A 63 12.173 -5.565 4.089 1.00 0.00 H new ATOM 0 HA LYS A 63 10.987 -6.732 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.619 -8.559 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.348 -6.968 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.222 -6.784 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.524 -8.389 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.560 -9.319 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.259 -7.713 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.104 -7.590 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.458 -9.219 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.818 -9.205 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.488 -10.012 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.114 -8.434 5.101 1.00 0.00 H new ATOM 1000 N GLU A 64 9.270 -8.298 2.531 1.00 0.00 N ATOM 1001 CA GLU A 64 8.223 -9.244 2.880 1.00 0.00 C ATOM 1002 C GLU A 64 7.614 -8.919 4.243 1.00 0.00 C ATOM 1003 O GLU A 64 7.340 -9.822 5.031 1.00 0.00 O ATOM 1004 CB GLU A 64 8.787 -10.667 2.849 1.00 0.00 C ATOM 1005 CG GLU A 64 9.253 -11.037 1.439 1.00 0.00 C ATOM 1006 CD GLU A 64 10.628 -10.453 1.141 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.691 -9.566 0.263 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.601 -10.941 1.759 1.00 0.00 O ATOM 0 H GLU A 64 9.211 -7.963 1.570 1.00 0.00 H new ATOM 0 HA GLU A 64 7.421 -9.167 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.622 -10.747 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.025 -11.372 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.286 -12.122 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.533 -10.670 0.707 1.00 0.00 H new ATOM 1015 N SER A 65 7.371 -7.632 4.510 1.00 0.00 N ATOM 1016 CA SER A 65 6.755 -7.215 5.758 1.00 0.00 C ATOM 1017 C SER A 65 5.281 -6.903 5.523 1.00 0.00 C ATOM 1018 O SER A 65 4.835 -6.814 4.380 1.00 0.00 O ATOM 1019 CB SER A 65 7.485 -5.990 6.306 1.00 0.00 C ATOM 1020 OG SER A 65 8.799 -6.348 6.672 1.00 0.00 O ATOM 0 H SER A 65 7.594 -6.867 3.874 1.00 0.00 H new ATOM 0 HA SER A 65 6.827 -8.020 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.508 -5.201 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.952 -5.592 7.169 1.00 0.00 H new ATOM 0 HG SER A 65 9.237 -6.798 5.919 1.00 0.00 H new ATOM 1026 N THR A 66 4.530 -6.707 6.610 1.00 0.00 N ATOM 1027 CA THR A 66 3.104 -6.450 6.533 1.00 0.00 C ATOM 1028 C THR A 66 2.826 -4.957 6.655 1.00 0.00 C ATOM 1029 O THR A 66 3.357 -4.295 7.544 1.00 0.00 O ATOM 1030 CB THR A 66 2.393 -7.219 7.646 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.735 -8.586 7.568 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.880 -7.065 7.503 1.00 0.00 C ATOM 0 H THR A 66 4.899 -6.723 7.561 1.00 0.00 H new ATOM 0 HA THR A 66 2.728 -6.786 5.567 1.00 0.00 H new ATOM 0 HB THR A 66 2.704 -6.818 8.611 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.280 -9.078 8.283 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.381 -7.616 8.300 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.614 -6.010 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.564 -7.459 6.537 1.00 0.00 H new ATOM 1040 N LEU A 67 1.939 -4.446 5.797 1.00 0.00 N ATOM 1041 CA LEU A 67 1.520 -3.056 5.843 1.00 0.00 C ATOM 1042 C LEU A 67 0.050 -2.982 6.239 1.00 0.00 C ATOM 1043 O LEU A 67 -0.615 -4.008 6.374 1.00 0.00 O ATOM 1044 CB LEU A 67 1.753 -2.398 4.482 1.00 0.00 C ATOM 1045 CG LEU A 67 3.098 -1.669 4.465 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.259 -2.662 4.436 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.173 -0.791 3.218 1.00 0.00 C ATOM 0 H LEU A 67 1.496 -4.988 5.055 1.00 0.00 H new ATOM 0 HA LEU A 67 2.108 -2.519 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.732 -3.154 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.948 -1.695 4.269 1.00 0.00 H new ATOM 0 HG LEU A 67 3.175 -1.065 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.203 -2.118 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.217 -3.297 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.186 -3.281 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.129 -0.268 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.082 -1.414 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.362 -0.063 3.236 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.455 -1.760 6.415 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.825 -1.524 6.830 1.00 0.00 C ATOM 1061 C HIS A 68 -2.530 -0.683 5.776 1.00 0.00 C ATOM 1062 O HIS A 68 -2.012 0.349 5.355 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.823 -0.816 8.185 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.197 -0.397 8.638 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.372 -1.060 8.387 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.487 0.705 9.391 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.359 -0.363 8.981 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -4.870 0.726 9.607 1.00 0.00 N ATOM 0 H HIS A 68 0.084 -0.906 6.271 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.359 -2.469 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.387 -1.478 8.933 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.183 0.064 8.127 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.776 1.431 9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.403 -0.639 8.959 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.399 1.423 10.131 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.709 -1.134 5.341 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.468 -0.443 4.317 1.00 0.00 C ATOM 1078 C LEU A 69 -5.857 -0.114 4.848 1.00 0.00 C ATOM 1079 O LEU A 69 -6.428 -0.887 5.615 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.560 -1.338 3.080 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.207 -0.594 1.911 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.213 0.392 1.302 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.625 -1.601 0.844 1.00 0.00 C ATOM 0 H LEU A 69 -4.155 -1.982 5.691 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.973 0.490 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.563 -1.674 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.141 -2.230 3.314 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.078 -0.049 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.684 0.916 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.906 1.114 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.338 -0.149 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.087 -1.075 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.747 -2.143 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.340 -2.306 1.269 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.407 1.024 4.420 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.750 1.422 4.794 1.00 0.00 C ATOM 1097 C ALA A 70 -8.520 1.792 3.534 1.00 0.00 C ATOM 1098 O ALA A 70 -7.957 2.394 2.622 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.683 2.606 5.756 1.00 0.00 C ATOM 0 H ALA A 70 -5.931 1.687 3.808 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.262 0.602 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.693 2.904 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.128 2.318 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.180 3.442 5.270 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.806 1.435 3.487 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.645 1.721 2.336 1.00 0.00 C ATOM 1107 C LEU A 71 -11.799 2.619 2.764 1.00 0.00 C ATOM 1108 O LEU A 71 -11.966 2.899 3.950 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.189 0.418 1.739 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.120 -0.428 1.035 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.288 0.431 0.085 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.202 -1.114 2.047 1.00 0.00 C ATOM 0 H LEU A 71 -10.285 0.944 4.242 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.051 2.229 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.644 -0.174 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.979 0.656 1.027 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.637 -1.196 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.537 -0.190 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.938 0.874 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.794 1.223 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.455 -1.706 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.703 -0.360 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.793 -1.766 2.690 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.598 3.068 1.793 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.751 3.904 2.067 1.00 0.00 C ATOM 1126 C ARG A 72 -14.857 3.078 2.710 1.00 0.00 C ATOM 1127 O ARG A 72 -14.810 1.849 2.695 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.256 4.520 0.762 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.621 3.414 -0.231 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.432 4.004 -1.380 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.736 4.472 -0.907 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.602 5.152 -1.670 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -17.285 5.458 -2.934 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.786 5.522 -1.168 1.00 0.00 N ATOM 0 H ARG A 72 -12.459 2.860 0.804 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.461 4.698 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.127 5.146 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.489 5.166 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.716 2.944 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.196 2.636 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.885 4.832 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.570 3.253 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.000 4.269 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.383 5.173 -3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.945 5.976 -3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.028 5.286 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.446 6.040 -1.748 1.00 0.00 H new