USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 428 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 26 GLN : amide:sc= -1.2 K(o=-8.2,f=-9.8!) USER MOD Set 1.2: A 55 GLN : amide:sc= -7.02! C(o=-8.2!,f=-12!) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -1.92 F(o=-6.4!,f=-2.6) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.729 K(o=-2.6,f=-9.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.564 K(o=-0.56,f=-2.4) USER MOD Single : A 7 LYS NZ :NH3+ -141:sc= -2.44! (180deg=-3!) USER MOD Single : A 17 MET CE :methyl 172:sc= -10.3! (180deg=-10.6!) USER MOD Single : A 23 ASN : amide:sc= -0.289 K(o=-0.29,f=-10!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.5) USER MOD Single : A 33 SER OG : rot 65:sc= 0.648 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 41 SER OG : rot 180:sc= -1.43 USER MOD Single : A 43 ASN : amide:sc= -0.012 K(o=-0.012,f=-3!) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 0.00851 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= -3.42! (180deg=-3.57!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -1.127 -13.176 9.229 1.00 0.00 N ATOM 46 CA LYS A 4 0.162 -12.710 8.705 1.00 0.00 C ATOM 47 C LYS A 4 0.011 -11.364 8.004 1.00 0.00 C ATOM 48 O LYS A 4 0.947 -10.878 7.362 1.00 0.00 O ATOM 49 CB LYS A 4 0.742 -13.732 7.720 1.00 0.00 C ATOM 50 CG LYS A 4 0.896 -15.095 8.412 1.00 0.00 C ATOM 51 CD LYS A 4 1.565 -16.090 7.453 1.00 0.00 C ATOM 52 CE LYS A 4 1.596 -17.484 8.092 1.00 0.00 C ATOM 53 NZ LYS A 4 2.071 -18.480 7.089 1.00 0.00 N ATOM 0 HA LYS A 4 0.841 -12.595 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.088 -13.826 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.710 -13.389 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.495 -14.989 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.080 -15.471 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.019 -16.124 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.579 -15.762 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.255 -17.483 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.602 -17.755 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.092 -19.425 7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.425 -18.487 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.027 -18.223 6.771 1.00 0.00 H new ATOM 67 N PHE A 5 -1.182 -10.789 8.109 1.00 0.00 N ATOM 68 CA PHE A 5 -1.483 -9.521 7.460 1.00 0.00 C ATOM 69 C PHE A 5 -0.466 -8.450 7.806 1.00 0.00 C ATOM 70 O PHE A 5 0.106 -7.828 6.925 1.00 0.00 O ATOM 71 CB PHE A 5 -2.810 -8.975 7.976 1.00 0.00 C ATOM 72 CG PHE A 5 -4.011 -9.635 7.351 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.024 -11.010 7.076 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.136 -8.849 7.069 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.169 -11.591 6.515 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.273 -9.429 6.509 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.293 -10.795 6.232 1.00 0.00 C ATOM 0 H PHE A 5 -1.958 -11.184 8.640 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.490 -9.725 6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.853 -9.107 9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.853 -7.903 7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.158 -11.617 7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.122 -7.791 7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.188 -12.649 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.138 -8.820 6.290 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.175 -11.243 5.799 1.00 0.00 H new ATOM 87 N ASN A 6 -0.293 -8.213 9.101 1.00 0.00 N ATOM 88 CA ASN A 6 0.596 -7.158 9.564 1.00 0.00 C ATOM 89 C ASN A 6 1.990 -7.279 8.982 1.00 0.00 C ATOM 90 O ASN A 6 2.528 -6.296 8.499 1.00 0.00 O ATOM 91 CB ASN A 6 0.701 -7.203 11.083 1.00 0.00 C ATOM 92 CG ASN A 6 -0.675 -7.041 11.726 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.448 -6.166 11.336 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.031 -7.841 12.691 1.00 0.00 N ATOM 0 H ASN A 6 -0.755 -8.735 9.845 1.00 0.00 H new ATOM 0 HA ASN A 6 0.168 -6.213 9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.144 -8.149 11.394 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.365 -6.411 11.430 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.950 -7.742 13.123 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.391 -8.566 13.015 1.00 0.00 H new ATOM 101 N LYS A 7 2.563 -8.478 9.012 1.00 0.00 N ATOM 102 CA LYS A 7 3.902 -8.679 8.481 1.00 0.00 C ATOM 103 C LYS A 7 3.963 -8.298 7.008 1.00 0.00 C ATOM 104 O LYS A 7 4.912 -7.648 6.571 1.00 0.00 O ATOM 105 CB LYS A 7 4.322 -10.135 8.686 1.00 0.00 C ATOM 106 CG LYS A 7 5.754 -10.373 8.169 1.00 0.00 C ATOM 107 CD LYS A 7 6.785 -9.773 9.147 1.00 0.00 C ATOM 108 CE LYS A 7 7.276 -8.409 8.640 1.00 0.00 C ATOM 109 NZ LYS A 7 7.892 -8.565 7.292 1.00 0.00 N ATOM 0 H LYS A 7 2.125 -9.316 9.395 1.00 0.00 H new ATOM 0 HA LYS A 7 4.597 -8.033 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.267 -10.388 9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.629 -10.795 8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.933 -11.442 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.872 -9.921 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.336 -9.661 10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.630 -10.453 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.443 -7.708 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.003 -7.992 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.731 -7.954 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.173 -9.556 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.203 -8.294 6.562 1.00 0.00 H new ATOM 123 N GLU A 8 2.936 -8.683 6.257 1.00 0.00 N ATOM 124 CA GLU A 8 2.871 -8.358 4.840 1.00 0.00 C ATOM 125 C GLU A 8 2.561 -6.873 4.666 1.00 0.00 C ATOM 126 O GLU A 8 3.069 -6.214 3.759 1.00 0.00 O ATOM 127 CB GLU A 8 1.779 -9.215 4.194 1.00 0.00 C ATOM 128 CG GLU A 8 1.777 -9.009 2.675 1.00 0.00 C ATOM 129 CD GLU A 8 3.064 -9.539 2.027 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.599 -10.528 2.506 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.485 -8.950 1.044 1.00 0.00 O ATOM 0 H GLU A 8 2.141 -9.218 6.606 1.00 0.00 H new ATOM 0 HA GLU A 8 3.827 -8.566 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.947 -10.267 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.806 -8.949 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.916 -9.516 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.668 -7.948 2.452 1.00 0.00 H new ATOM 138 N ARG A 9 1.722 -6.374 5.564 1.00 0.00 N ATOM 139 CA ARG A 9 1.305 -4.989 5.574 1.00 0.00 C ATOM 140 C ARG A 9 2.442 -4.061 5.956 1.00 0.00 C ATOM 141 O ARG A 9 2.486 -2.952 5.476 1.00 0.00 O ATOM 142 CB ARG A 9 0.106 -4.791 6.509 1.00 0.00 C ATOM 143 CG ARG A 9 -1.147 -5.384 5.844 1.00 0.00 C ATOM 144 CD ARG A 9 -2.389 -5.127 6.697 1.00 0.00 C ATOM 145 NE ARG A 9 -2.185 -5.621 8.055 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.951 -5.213 9.057 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.727 -4.057 9.616 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.925 -5.966 9.481 1.00 0.00 N ATOM 0 H ARG A 9 1.310 -6.931 6.313 1.00 0.00 H new ATOM 0 HA ARG A 9 1.001 -4.732 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.290 -5.277 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.042 -3.731 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.282 -4.944 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.015 -6.456 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.607 -4.059 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.253 -5.619 6.250 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.439 -6.293 8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.964 -3.468 9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.315 -3.741 10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.099 -6.870 9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.514 -5.652 10.252 1.00 0.00 H new ATOM 162 N VAL A 10 3.352 -4.511 6.826 1.00 0.00 N ATOM 163 CA VAL A 10 4.477 -3.664 7.246 1.00 0.00 C ATOM 164 C VAL A 10 5.299 -3.339 6.030 1.00 0.00 C ATOM 165 O VAL A 10 5.687 -2.198 5.772 1.00 0.00 O ATOM 166 CB VAL A 10 5.437 -4.367 8.223 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.480 -3.344 8.718 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.695 -4.973 9.417 1.00 0.00 C ATOM 0 H VAL A 10 3.335 -5.440 7.248 1.00 0.00 H new ATOM 0 HA VAL A 10 4.045 -2.792 7.737 1.00 0.00 H new ATOM 0 HB VAL A 10 5.926 -5.186 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.166 -3.830 9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.039 -2.954 7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.973 -2.524 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.410 -5.459 10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.174 -4.184 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.972 -5.708 9.062 1.00 0.00 H new ATOM 178 N ILE A 11 5.565 -4.396 5.304 1.00 0.00 N ATOM 179 CA ILE A 11 6.342 -4.326 4.106 1.00 0.00 C ATOM 180 C ILE A 11 5.634 -3.440 3.099 1.00 0.00 C ATOM 181 O ILE A 11 6.230 -2.560 2.493 1.00 0.00 O ATOM 182 CB ILE A 11 6.474 -5.746 3.553 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.144 -6.653 4.604 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.300 -5.736 2.268 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.981 -8.121 4.190 1.00 0.00 C ATOM 0 H ILE A 11 5.242 -5.335 5.536 1.00 0.00 H new ATOM 0 HA ILE A 11 7.328 -3.906 4.306 1.00 0.00 H new ATOM 0 HB ILE A 11 5.480 -6.133 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.201 -6.404 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.694 -6.488 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.387 -6.752 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.809 -5.108 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.294 -5.341 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.455 -8.763 4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.921 -8.365 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.452 -8.280 3.220 1.00 0.00 H new ATOM 197 N ALA A 12 4.353 -3.721 2.932 1.00 0.00 N ATOM 198 CA ALA A 12 3.513 -3.012 1.986 1.00 0.00 C ATOM 199 C ALA A 12 3.207 -1.576 2.391 1.00 0.00 C ATOM 200 O ALA A 12 3.342 -0.667 1.576 1.00 0.00 O ATOM 201 CB ALA A 12 2.227 -3.786 1.867 1.00 0.00 C ATOM 0 H ALA A 12 3.866 -4.451 3.452 1.00 0.00 H new ATOM 0 HA ALA A 12 4.050 -2.944 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.564 -3.284 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.440 -4.794 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.744 -3.841 2.843 1.00 0.00 H new ATOM 207 N ILE A 13 2.808 -1.366 3.642 1.00 0.00 N ATOM 208 CA ILE A 13 2.518 -0.028 4.110 1.00 0.00 C ATOM 209 C ILE A 13 3.792 0.782 3.999 1.00 0.00 C ATOM 210 O ILE A 13 3.782 1.939 3.615 1.00 0.00 O ATOM 211 CB ILE A 13 2.029 -0.055 5.572 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.488 1.341 5.944 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.182 -0.462 6.513 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.891 1.723 7.367 1.00 0.00 C ATOM 0 H ILE A 13 2.681 -2.101 4.338 1.00 0.00 H new ATOM 0 HA ILE A 13 1.726 0.417 3.508 1.00 0.00 H new ATOM 0 HB ILE A 13 1.232 -0.791 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.871 2.082 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.402 1.349 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.824 -0.477 7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.542 -1.454 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.996 0.257 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.497 2.711 7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.486 0.993 8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.978 1.737 7.446 1.00 0.00 H new ATOM 226 N GLY A 14 4.895 0.117 4.310 1.00 0.00 N ATOM 227 CA GLY A 14 6.194 0.722 4.236 1.00 0.00 C ATOM 228 C GLY A 14 6.509 1.059 2.785 1.00 0.00 C ATOM 229 O GLY A 14 7.119 2.092 2.499 1.00 0.00 O ATOM 0 H GLY A 14 4.903 -0.855 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.223 1.625 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.947 0.043 4.636 1.00 0.00 H new ATOM 233 N GLU A 15 6.068 0.182 1.862 1.00 0.00 N ATOM 234 CA GLU A 15 6.296 0.415 0.443 1.00 0.00 C ATOM 235 C GLU A 15 5.415 1.549 -0.066 1.00 0.00 C ATOM 236 O GLU A 15 5.867 2.430 -0.797 1.00 0.00 O ATOM 237 CB GLU A 15 5.913 -0.835 -0.359 1.00 0.00 C ATOM 238 CG GLU A 15 6.902 -1.979 -0.122 1.00 0.00 C ATOM 239 CD GLU A 15 7.853 -2.104 -1.315 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.426 -2.604 -2.344 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.992 -1.683 -1.185 1.00 0.00 O ATOM 0 H GLU A 15 5.562 -0.677 2.079 1.00 0.00 H new ATOM 0 HA GLU A 15 7.350 0.662 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.910 -1.156 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.884 -0.592 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.471 -1.796 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.361 -2.914 0.022 1.00 0.00 H new ATOM 248 N ILE A 16 4.141 1.485 0.306 1.00 0.00 N ATOM 249 CA ILE A 16 3.164 2.470 -0.122 1.00 0.00 C ATOM 250 C ILE A 16 3.364 3.836 0.537 1.00 0.00 C ATOM 251 O ILE A 16 3.205 4.875 -0.102 1.00 0.00 O ATOM 252 CB ILE A 16 1.760 1.890 0.077 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.581 0.836 -1.019 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.644 2.953 -0.038 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.423 -0.081 -0.698 1.00 0.00 C ATOM 0 H ILE A 16 3.762 0.754 0.908 1.00 0.00 H new ATOM 0 HA ILE A 16 3.304 2.674 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 16 1.675 1.477 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.408 1.327 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.496 0.252 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.326 2.480 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.794 3.722 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.676 3.408 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.315 -0.822 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.611 -0.587 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.494 0.504 -0.620 1.00 0.00 H new ATOM 267 N MET A 17 3.712 3.828 1.815 1.00 0.00 N ATOM 268 CA MET A 17 3.937 5.068 2.552 1.00 0.00 C ATOM 269 C MET A 17 5.156 5.816 1.989 1.00 0.00 C ATOM 270 O MET A 17 5.293 7.026 2.180 1.00 0.00 O ATOM 271 CB MET A 17 4.120 4.761 4.048 1.00 0.00 C ATOM 272 CG MET A 17 2.768 4.356 4.663 1.00 0.00 C ATOM 273 SD MET A 17 1.636 5.766 4.726 1.00 0.00 S ATOM 274 CE MET A 17 0.090 4.809 4.673 1.00 0.00 C ATOM 0 H MET A 17 3.845 2.979 2.365 1.00 0.00 H new ATOM 0 HA MET A 17 3.067 5.714 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.845 3.958 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.517 5.636 4.563 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.323 3.554 4.075 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.924 3.965 5.669 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.756 5.475 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.012 4.337 3.696 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.110 4.042 5.447 1.00 0.00 H new ATOM 284 N ARG A 18 6.026 5.082 1.282 1.00 0.00 N ATOM 285 CA ARG A 18 7.225 5.654 0.671 1.00 0.00 C ATOM 286 C ARG A 18 6.854 6.553 -0.510 1.00 0.00 C ATOM 287 O ARG A 18 7.533 7.541 -0.792 1.00 0.00 O ATOM 288 CB ARG A 18 8.115 4.499 0.195 1.00 0.00 C ATOM 289 CG ARG A 18 9.365 5.020 -0.522 1.00 0.00 C ATOM 290 CD ARG A 18 10.116 3.835 -1.127 1.00 0.00 C ATOM 291 NE ARG A 18 10.601 2.942 -0.073 1.00 0.00 N ATOM 292 CZ ARG A 18 10.190 1.680 0.008 1.00 0.00 C ATOM 293 NH1 ARG A 18 10.467 0.840 -0.948 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.512 1.281 1.046 1.00 0.00 N ATOM 0 H ARG A 18 5.916 4.081 1.120 1.00 0.00 H new ATOM 0 HA ARG A 18 7.755 6.266 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.410 3.889 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.549 3.854 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.085 5.727 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.006 5.555 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.459 3.287 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.956 4.195 -1.722 1.00 0.00 H new ATOM 0 HE ARG A 18 11.268 3.295 0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.000 1.150 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.151 -0.128 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.296 1.937 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.197 0.313 1.108 1.00 0.00 H new ATOM 308 N LEU A 19 5.785 6.163 -1.201 1.00 0.00 N ATOM 309 CA LEU A 19 5.293 6.867 -2.382 1.00 0.00 C ATOM 310 C LEU A 19 5.214 8.389 -2.167 1.00 0.00 C ATOM 311 O LEU A 19 4.380 8.872 -1.399 1.00 0.00 O ATOM 312 CB LEU A 19 3.929 6.282 -2.742 1.00 0.00 C ATOM 313 CG LEU A 19 4.069 4.749 -2.847 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.717 4.085 -3.104 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.048 4.418 -3.971 1.00 0.00 C ATOM 0 H LEU A 19 5.232 5.342 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 19 5.994 6.724 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.192 6.544 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.576 6.696 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 19 4.447 4.362 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.849 3.005 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.037 4.316 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.299 4.460 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.154 3.336 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.671 4.819 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.019 4.862 -3.751 1.00 0.00 H new ATOM 327 N PRO A 20 6.096 9.139 -2.815 1.00 0.00 N ATOM 328 CA PRO A 20 6.165 10.628 -2.679 1.00 0.00 C ATOM 329 C PRO A 20 5.046 11.390 -3.395 1.00 0.00 C ATOM 330 O PRO A 20 4.882 12.588 -3.154 1.00 0.00 O ATOM 331 CB PRO A 20 7.508 11.022 -3.322 1.00 0.00 C ATOM 332 CG PRO A 20 8.147 9.771 -3.838 1.00 0.00 C ATOM 333 CD PRO A 20 7.127 8.643 -3.744 1.00 0.00 C ATOM 0 HA PRO A 20 6.062 10.889 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.350 11.734 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.154 11.509 -2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.470 9.907 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.036 9.530 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.701 8.413 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.585 7.726 -3.373 1.00 0.00 H new ATOM 341 N ASN A 21 4.309 10.735 -4.301 1.00 0.00 N ATOM 342 CA ASN A 21 3.264 11.453 -5.047 1.00 0.00 C ATOM 343 C ASN A 21 1.912 11.336 -4.372 1.00 0.00 C ATOM 344 O ASN A 21 1.357 12.336 -3.915 1.00 0.00 O ATOM 345 CB ASN A 21 3.193 10.955 -6.503 1.00 0.00 C ATOM 346 CG ASN A 21 4.574 11.094 -7.148 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.986 10.197 -7.989 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.294 12.056 -6.881 1.00 0.00 N flip ATOM 0 H ASN A 21 4.409 9.746 -4.531 1.00 0.00 H new ATOM 0 HA ASN A 21 3.535 12.509 -5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.869 9.915 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.457 11.532 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.975 12.764 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.210 12.145 -7.321 1.00 0.00 H new ATOM 355 N LEU A 22 1.394 10.116 -4.324 1.00 0.00 N ATOM 356 CA LEU A 22 0.087 9.828 -3.725 1.00 0.00 C ATOM 357 C LEU A 22 -0.232 10.711 -2.536 1.00 0.00 C ATOM 358 O LEU A 22 0.638 11.022 -1.716 1.00 0.00 O ATOM 359 CB LEU A 22 0.065 8.388 -3.242 1.00 0.00 C ATOM 360 CG LEU A 22 0.207 7.455 -4.431 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.727 6.120 -3.941 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.150 7.267 -5.097 1.00 0.00 C ATOM 0 H LEU A 22 1.865 9.293 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.656 10.016 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.876 8.218 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.867 8.184 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 22 0.902 7.878 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.834 5.439 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.696 6.260 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.025 5.698 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.047 6.597 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.850 6.837 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.525 8.232 -5.437 1.00 0.00 H new ATOM 374 N ASN A 23 -1.508 11.048 -2.413 1.00 0.00 N ATOM 375 CA ASN A 23 -1.966 11.831 -1.284 1.00 0.00 C ATOM 376 C ASN A 23 -2.168 10.865 -0.143 1.00 0.00 C ATOM 377 O ASN A 23 -2.279 9.658 -0.372 1.00 0.00 O ATOM 378 CB ASN A 23 -3.267 12.570 -1.625 1.00 0.00 C ATOM 379 CG ASN A 23 -4.206 11.658 -2.409 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.766 10.722 -1.851 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.402 11.873 -3.680 1.00 0.00 N ATOM 0 H ASN A 23 -2.237 10.792 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.238 12.596 -1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.754 12.903 -0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.044 13.462 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.022 11.262 -4.211 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.935 12.653 -4.143 1.00 0.00 H new ATOM 388 N SER A 24 -2.193 11.370 1.075 1.00 0.00 N ATOM 389 CA SER A 24 -2.350 10.494 2.221 1.00 0.00 C ATOM 390 C SER A 24 -3.534 9.565 2.042 1.00 0.00 C ATOM 391 O SER A 24 -3.480 8.428 2.452 1.00 0.00 O ATOM 392 CB SER A 24 -2.535 11.291 3.496 1.00 0.00 C ATOM 393 OG SER A 24 -3.633 12.183 3.351 1.00 0.00 O ATOM 0 H SER A 24 -2.109 12.362 1.295 1.00 0.00 H new ATOM 0 HA SER A 24 -1.438 9.901 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.710 10.617 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.627 11.851 3.721 1.00 0.00 H new ATOM 0 HG SER A 24 -3.750 12.695 4.178 1.00 0.00 H new ATOM 399 N LEU A 25 -4.594 10.050 1.421 1.00 0.00 N ATOM 400 CA LEU A 25 -5.773 9.229 1.214 1.00 0.00 C ATOM 401 C LEU A 25 -5.452 8.042 0.355 1.00 0.00 C ATOM 402 O LEU A 25 -5.801 6.936 0.712 1.00 0.00 O ATOM 403 CB LEU A 25 -6.862 10.028 0.527 1.00 0.00 C ATOM 404 CG LEU A 25 -7.158 11.325 1.286 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.152 12.426 0.913 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.548 11.784 0.884 1.00 0.00 C ATOM 0 H LEU A 25 -4.663 10.999 1.054 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.114 8.895 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.557 10.262 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.769 9.428 0.459 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.085 11.141 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.386 13.335 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.143 12.098 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.212 12.627 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.792 12.708 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.577 11.958 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.275 11.016 1.147 1.00 0.00 H new ATOM 418 N GLN A 26 -4.772 8.271 -0.764 1.00 0.00 N ATOM 419 CA GLN A 26 -4.398 7.179 -1.632 1.00 0.00 C ATOM 420 C GLN A 26 -3.424 6.290 -0.915 1.00 0.00 C ATOM 421 O GLN A 26 -3.552 5.076 -0.912 1.00 0.00 O ATOM 422 CB GLN A 26 -3.742 7.691 -2.887 1.00 0.00 C ATOM 423 CG GLN A 26 -4.798 8.294 -3.811 1.00 0.00 C ATOM 424 CD GLN A 26 -5.554 7.198 -4.570 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.588 6.040 -4.146 1.00 0.00 O ATOM 426 NE2 GLN A 26 -6.157 7.497 -5.683 1.00 0.00 N ATOM 0 H GLN A 26 -4.475 9.194 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.300 6.629 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.993 8.442 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.222 6.878 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.501 8.888 -3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.322 8.971 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.131 8.454 -6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.656 6.775 -6.203 1.00 0.00 H new ATOM 435 N VAL A 27 -2.476 6.939 -0.266 1.00 0.00 N ATOM 436 CA VAL A 27 -1.468 6.255 0.500 1.00 0.00 C ATOM 437 C VAL A 27 -2.170 5.382 1.528 1.00 0.00 C ATOM 438 O VAL A 27 -1.827 4.218 1.729 1.00 0.00 O ATOM 439 CB VAL A 27 -0.605 7.337 1.181 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.199 6.781 2.348 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.359 7.951 0.157 1.00 0.00 C ATOM 0 H VAL A 27 -2.389 7.955 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.833 5.620 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.284 8.095 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.791 7.580 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.480 6.370 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.863 5.994 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.967 8.715 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.007 7.172 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.212 8.403 -0.655 1.00 0.00 H new ATOM 451 N VAL A 28 -3.187 5.967 2.132 1.00 0.00 N ATOM 452 CA VAL A 28 -4.010 5.278 3.112 1.00 0.00 C ATOM 453 C VAL A 28 -4.925 4.267 2.447 1.00 0.00 C ATOM 454 O VAL A 28 -5.209 3.202 2.992 1.00 0.00 O ATOM 455 CB VAL A 28 -4.759 6.265 3.982 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.568 5.486 5.022 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.710 7.121 4.695 1.00 0.00 C ATOM 0 H VAL A 28 -3.467 6.932 1.958 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.355 4.712 3.775 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.433 6.887 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.113 6.185 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.274 4.828 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.893 4.889 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.208 7.849 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.070 6.481 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.103 7.644 3.956 1.00 0.00 H new ATOM 467 N ALA A 29 -5.383 4.634 1.262 1.00 0.00 N ATOM 468 CA ALA A 29 -6.266 3.802 0.475 1.00 0.00 C ATOM 469 C ALA A 29 -5.615 2.470 0.302 1.00 0.00 C ATOM 470 O ALA A 29 -6.253 1.418 0.356 1.00 0.00 O ATOM 471 CB ALA A 29 -6.427 4.427 -0.899 1.00 0.00 C ATOM 0 H ALA A 29 -5.149 5.523 0.820 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.234 3.705 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.091 3.810 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.852 5.425 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.453 4.495 -1.384 1.00 0.00 H new ATOM 477 N PHE A 30 -4.314 2.547 0.122 1.00 0.00 N ATOM 478 CA PHE A 30 -3.523 1.399 -0.028 1.00 0.00 C ATOM 479 C PHE A 30 -3.427 0.677 1.274 1.00 0.00 C ATOM 480 O PHE A 30 -3.494 -0.542 1.278 1.00 0.00 O ATOM 481 CB PHE A 30 -2.165 1.803 -0.506 1.00 0.00 C ATOM 482 CG PHE A 30 -2.228 1.936 -1.990 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.394 0.800 -2.780 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.190 3.194 -2.568 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.500 0.929 -4.157 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.310 3.334 -3.935 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.460 2.197 -4.743 1.00 0.00 C ATOM 0 H PHE A 30 -3.796 3.425 0.079 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.975 0.729 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.864 2.746 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.422 1.059 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.440 -0.177 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.066 4.068 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.613 0.051 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.289 4.317 -4.382 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.544 2.301 -5.815 1.00 0.00 H new ATOM 497 N ILE A 31 -3.320 1.423 2.391 1.00 0.00 N ATOM 498 CA ILE A 31 -3.264 0.744 3.681 1.00 0.00 C ATOM 499 C ILE A 31 -4.512 -0.116 3.782 1.00 0.00 C ATOM 500 O ILE A 31 -4.490 -1.244 4.281 1.00 0.00 O ATOM 501 CB ILE A 31 -3.294 1.710 4.874 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.142 2.704 4.823 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.181 0.909 6.181 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.348 3.733 5.945 1.00 0.00 C ATOM 0 H ILE A 31 -3.273 2.441 2.422 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.330 0.183 3.724 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.234 2.260 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.190 2.189 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.110 3.200 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.202 1.593 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.017 0.213 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.244 0.352 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.533 4.457 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.296 4.250 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.361 3.223 6.908 1.00 0.00 H new ATOM 516 N ASN A 32 -5.605 0.464 3.283 1.00 0.00 N ATOM 517 CA ASN A 32 -6.899 -0.195 3.287 1.00 0.00 C ATOM 518 C ASN A 32 -6.930 -1.395 2.347 1.00 0.00 C ATOM 519 O ASN A 32 -7.530 -2.419 2.668 1.00 0.00 O ATOM 520 CB ASN A 32 -7.969 0.819 2.878 1.00 0.00 C ATOM 521 CG ASN A 32 -8.651 1.396 4.116 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.773 1.015 4.444 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.033 2.298 4.827 1.00 0.00 N ATOM 0 H ASN A 32 -5.612 1.396 2.869 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.093 -0.569 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.516 1.622 2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.709 0.339 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.480 2.688 5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.102 2.613 4.554 1.00 0.00 H new ATOM 530 N SER A 33 -6.295 -1.272 1.187 1.00 0.00 N ATOM 531 CA SER A 33 -6.282 -2.362 0.233 1.00 0.00 C ATOM 532 C SER A 33 -5.550 -3.578 0.799 1.00 0.00 C ATOM 533 O SER A 33 -5.913 -4.717 0.505 1.00 0.00 O ATOM 534 CB SER A 33 -5.617 -1.907 -1.055 1.00 0.00 C ATOM 535 OG SER A 33 -6.221 -0.699 -1.499 1.00 0.00 O ATOM 0 H SER A 33 -5.790 -0.437 0.891 1.00 0.00 H new ATOM 0 HA SER A 33 -7.312 -2.653 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.550 -1.754 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.715 -2.678 -1.820 1.00 0.00 H new ATOM 0 HG SER A 33 -6.043 0.014 -0.850 1.00 0.00 H new ATOM 541 N LEU A 34 -4.506 -3.324 1.595 1.00 0.00 N ATOM 542 CA LEU A 34 -3.717 -4.430 2.177 1.00 0.00 C ATOM 543 C LEU A 34 -4.587 -5.322 3.061 1.00 0.00 C ATOM 544 O LEU A 34 -4.538 -6.541 2.960 1.00 0.00 O ATOM 545 CB LEU A 34 -2.545 -3.939 3.054 1.00 0.00 C ATOM 546 CG LEU A 34 -1.916 -2.642 2.537 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.652 -2.324 3.340 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.543 -2.775 1.062 1.00 0.00 C ATOM 0 H LEU A 34 -4.188 -2.389 1.850 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.325 -4.979 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.900 -3.784 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.781 -4.715 3.098 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.644 -1.839 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.208 -1.400 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.910 -2.205 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.063 -3.140 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.098 -1.843 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.827 -3.587 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.438 -2.990 0.478 1.00 0.00 H new ATOM 560 N ARG A 35 -5.380 -4.703 3.931 1.00 0.00 N ATOM 561 CA ARG A 35 -6.259 -5.465 4.825 1.00 0.00 C ATOM 562 C ARG A 35 -7.419 -6.061 4.050 1.00 0.00 C ATOM 563 O ARG A 35 -7.851 -7.183 4.324 1.00 0.00 O ATOM 564 CB ARG A 35 -6.750 -4.589 5.979 1.00 0.00 C ATOM 565 CG ARG A 35 -7.554 -3.392 5.460 1.00 0.00 C ATOM 566 CD ARG A 35 -7.933 -2.476 6.630 1.00 0.00 C ATOM 567 NE ARG A 35 -8.785 -1.385 6.162 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.078 -1.570 5.932 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.927 -1.534 6.920 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.498 -1.789 4.721 1.00 0.00 N ATOM 0 H ARG A 35 -5.435 -3.690 4.039 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.687 -6.287 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.369 -5.182 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.898 -4.235 6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.967 -2.838 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.453 -3.739 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.453 -3.050 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.032 -2.071 7.091 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.377 -0.463 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.597 -1.364 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.921 -1.676 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.833 -1.819 3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.492 -1.931 4.544 1.00 0.00 H new ATOM 584 N ASP A 36 -7.884 -5.318 3.051 1.00 0.00 N ATOM 585 CA ASP A 36 -8.958 -5.782 2.195 1.00 0.00 C ATOM 586 C ASP A 36 -8.448 -6.964 1.383 1.00 0.00 C ATOM 587 O ASP A 36 -9.231 -7.766 0.866 1.00 0.00 O ATOM 588 CB ASP A 36 -9.423 -4.648 1.262 1.00 0.00 C ATOM 589 CG ASP A 36 -10.188 -3.570 2.045 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.888 -3.918 2.985 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.066 -2.409 1.689 1.00 0.00 O ATOM 0 H ASP A 36 -7.530 -4.390 2.818 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.811 -6.090 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.560 -4.201 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.062 -5.056 0.479 1.00 0.00 H new ATOM 596 N ASP A 37 -7.117 -7.052 1.285 1.00 0.00 N ATOM 597 CA ASP A 37 -6.471 -8.126 0.537 1.00 0.00 C ATOM 598 C ASP A 37 -4.957 -8.141 0.804 1.00 0.00 C ATOM 599 O ASP A 37 -4.195 -7.442 0.127 1.00 0.00 O ATOM 600 CB ASP A 37 -6.736 -7.933 -0.962 1.00 0.00 C ATOM 601 CG ASP A 37 -6.470 -9.236 -1.724 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.433 -9.839 -1.495 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.307 -9.610 -2.528 1.00 0.00 O ATOM 0 H ASP A 37 -6.470 -6.391 1.715 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.885 -9.080 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.768 -7.617 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.098 -7.140 -1.351 1.00 0.00 H new ATOM 608 N PRO A 38 -4.503 -8.916 1.771 1.00 0.00 N ATOM 609 CA PRO A 38 -3.054 -9.002 2.109 1.00 0.00 C ATOM 610 C PRO A 38 -2.255 -9.695 1.011 1.00 0.00 C ATOM 611 O PRO A 38 -1.080 -9.398 0.806 1.00 0.00 O ATOM 612 CB PRO A 38 -2.986 -9.791 3.420 1.00 0.00 C ATOM 613 CG PRO A 38 -4.391 -10.120 3.806 1.00 0.00 C ATOM 614 CD PRO A 38 -5.311 -9.788 2.630 1.00 0.00 C ATOM 0 HA PRO A 38 -2.615 -8.009 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.398 -10.700 3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.500 -9.203 4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.475 -11.175 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.684 -9.551 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.622 -10.689 2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.219 -9.286 2.965 1.00 0.00 H new ATOM 622 N SER A 39 -2.914 -10.607 0.293 1.00 0.00 N ATOM 623 CA SER A 39 -2.270 -11.318 -0.802 1.00 0.00 C ATOM 624 C SER A 39 -1.874 -10.314 -1.870 1.00 0.00 C ATOM 625 O SER A 39 -0.857 -10.471 -2.549 1.00 0.00 O ATOM 626 CB SER A 39 -3.219 -12.366 -1.390 1.00 0.00 C ATOM 627 OG SER A 39 -3.707 -13.202 -0.346 1.00 0.00 O ATOM 0 H SER A 39 -3.888 -10.866 0.452 1.00 0.00 H new ATOM 0 HA SER A 39 -1.384 -11.833 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.050 -11.876 -1.897 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.699 -12.965 -2.137 1.00 0.00 H new ATOM 0 HG SER A 39 -4.316 -13.872 -0.721 1.00 0.00 H new ATOM 633 N GLN A 40 -2.696 -9.271 -1.993 1.00 0.00 N ATOM 634 CA GLN A 40 -2.454 -8.217 -2.960 1.00 0.00 C ATOM 635 C GLN A 40 -1.579 -7.109 -2.377 1.00 0.00 C ATOM 636 O GLN A 40 -1.293 -6.138 -3.061 1.00 0.00 O ATOM 637 CB GLN A 40 -3.779 -7.628 -3.451 1.00 0.00 C ATOM 638 CG GLN A 40 -4.483 -8.643 -4.358 1.00 0.00 C ATOM 639 CD GLN A 40 -5.814 -8.086 -4.854 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.452 -7.278 -4.179 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.267 -8.473 -6.011 1.00 0.00 N ATOM 0 H GLN A 40 -3.536 -9.140 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.922 -8.661 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.416 -7.380 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.598 -6.701 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.844 -8.884 -5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.652 -9.571 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.737 -9.143 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.153 -8.107 -6.360 1.00 0.00 H new ATOM 650 N SER A 41 -1.121 -7.266 -1.129 1.00 0.00 N ATOM 651 CA SER A 41 -0.251 -6.259 -0.514 1.00 0.00 C ATOM 652 C SER A 41 0.920 -6.008 -1.446 1.00 0.00 C ATOM 653 O SER A 41 1.414 -4.900 -1.552 1.00 0.00 O ATOM 654 CB SER A 41 0.242 -6.729 0.862 1.00 0.00 C ATOM 655 OG SER A 41 -0.861 -6.824 1.745 1.00 0.00 O ATOM 0 H SER A 41 -1.334 -8.067 -0.534 1.00 0.00 H new ATOM 0 HA SER A 41 -0.808 -5.335 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.736 -7.696 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.979 -6.029 1.256 1.00 0.00 H new ATOM 0 HG SER A 41 -0.551 -7.125 2.624 1.00 0.00 H new ATOM 661 N ALA A 42 1.311 -7.076 -2.132 1.00 0.00 N ATOM 662 CA ALA A 42 2.391 -7.065 -3.107 1.00 0.00 C ATOM 663 C ALA A 42 2.002 -6.299 -4.370 1.00 0.00 C ATOM 664 O ALA A 42 2.801 -5.579 -4.966 1.00 0.00 O ATOM 665 CB ALA A 42 2.668 -8.502 -3.519 1.00 0.00 C ATOM 0 H ALA A 42 0.876 -7.992 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 42 3.257 -6.585 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.475 -8.521 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.958 -9.082 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.769 -8.934 -3.959 1.00 0.00 H new ATOM 671 N ASN A 43 0.767 -6.507 -4.782 1.00 0.00 N ATOM 672 CA ASN A 43 0.212 -5.885 -5.966 1.00 0.00 C ATOM 673 C ASN A 43 -0.065 -4.421 -5.736 1.00 0.00 C ATOM 674 O ASN A 43 0.034 -3.588 -6.625 1.00 0.00 O ATOM 675 CB ASN A 43 -1.115 -6.548 -6.235 1.00 0.00 C ATOM 676 CG ASN A 43 -0.919 -7.931 -6.849 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.211 -8.942 -6.212 1.00 0.00 O ATOM 678 ND2 ASN A 43 -0.440 -8.035 -8.058 1.00 0.00 N ATOM 0 H ASN A 43 0.113 -7.121 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 43 0.919 -5.991 -6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.677 -6.635 -5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.706 -5.927 -6.908 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.307 -8.956 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.198 -7.196 -8.585 1.00 0.00 H new ATOM 685 N LEU A 44 -0.518 -4.165 -4.538 1.00 0.00 N ATOM 686 CA LEU A 44 -0.948 -2.850 -4.136 1.00 0.00 C ATOM 687 C LEU A 44 0.137 -1.814 -4.204 1.00 0.00 C ATOM 688 O LEU A 44 -0.120 -0.730 -4.696 1.00 0.00 O ATOM 689 CB LEU A 44 -1.566 -2.960 -2.763 1.00 0.00 C ATOM 690 CG LEU A 44 -2.878 -3.738 -2.931 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.363 -4.314 -1.605 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.922 -2.804 -3.516 1.00 0.00 C ATOM 0 H LEU A 44 -0.600 -4.870 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.692 -2.491 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.895 -3.477 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.753 -1.972 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.708 -4.580 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.294 -4.858 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.609 -4.993 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.533 -3.503 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.862 -3.342 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.074 -1.961 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.581 -2.438 -4.484 1.00 0.00 H new ATOM 704 N LEU A 45 1.354 -2.134 -3.787 1.00 0.00 N ATOM 705 CA LEU A 45 2.416 -1.128 -3.939 1.00 0.00 C ATOM 706 C LEU A 45 2.652 -0.999 -5.417 1.00 0.00 C ATOM 707 O LEU A 45 2.988 0.051 -5.905 1.00 0.00 O ATOM 708 CB LEU A 45 3.790 -1.361 -3.251 1.00 0.00 C ATOM 709 CG LEU A 45 3.837 -2.575 -2.346 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.762 -2.475 -1.271 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.688 -3.820 -3.207 1.00 0.00 C ATOM 0 H LEU A 45 1.629 -3.021 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 45 2.039 -0.245 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.555 -1.466 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.045 -0.477 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 45 4.791 -2.630 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.807 -3.354 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.928 -1.579 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.780 -2.420 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.719 -4.706 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.735 -3.785 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.503 -3.862 -3.930 1.00 0.00 H new ATOM 723 N ALA A 46 2.457 -2.107 -6.123 1.00 0.00 N ATOM 724 CA ALA A 46 2.628 -2.121 -7.565 1.00 0.00 C ATOM 725 C ALA A 46 1.655 -1.128 -8.157 1.00 0.00 C ATOM 726 O ALA A 46 2.003 -0.314 -9.005 1.00 0.00 O ATOM 727 CB ALA A 46 2.301 -3.507 -8.117 1.00 0.00 C ATOM 0 H ALA A 46 2.182 -3.002 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 46 3.657 -1.867 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.432 -3.508 -9.199 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.969 -4.243 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.268 -3.760 -7.876 1.00 0.00 H new ATOM 733 N GLU A 47 0.434 -1.194 -7.644 1.00 0.00 N ATOM 734 CA GLU A 47 -0.625 -0.312 -8.041 1.00 0.00 C ATOM 735 C GLU A 47 -0.315 1.083 -7.560 1.00 0.00 C ATOM 736 O GLU A 47 -0.438 2.053 -8.285 1.00 0.00 O ATOM 737 CB GLU A 47 -1.901 -0.804 -7.370 1.00 0.00 C ATOM 738 CG GLU A 47 -2.658 -1.734 -8.325 1.00 0.00 C ATOM 739 CD GLU A 47 -2.499 -3.195 -7.895 1.00 0.00 C ATOM 740 OE1 GLU A 47 -2.998 -3.546 -6.837 1.00 0.00 O ATOM 741 OE2 GLU A 47 -1.877 -3.944 -8.634 1.00 0.00 O ATOM 0 H GLU A 47 0.161 -1.873 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.736 -0.299 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.659 -1.332 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.530 0.043 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.715 -1.467 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.282 -1.605 -9.340 1.00 0.00 H new ATOM 748 N ALA A 48 0.103 1.143 -6.319 1.00 0.00 N ATOM 749 CA ALA A 48 0.455 2.390 -5.679 1.00 0.00 C ATOM 750 C ALA A 48 1.593 3.051 -6.418 1.00 0.00 C ATOM 751 O ALA A 48 1.530 4.229 -6.732 1.00 0.00 O ATOM 752 CB ALA A 48 0.858 2.111 -4.249 1.00 0.00 C ATOM 0 H ALA A 48 0.210 0.324 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.403 3.063 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.126 3.046 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.025 1.648 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.715 1.437 -4.237 1.00 0.00 H new ATOM 758 N LYS A 49 2.608 2.263 -6.725 1.00 0.00 N ATOM 759 CA LYS A 49 3.746 2.759 -7.484 1.00 0.00 C ATOM 760 C LYS A 49 3.237 3.222 -8.842 1.00 0.00 C ATOM 761 O LYS A 49 3.697 4.232 -9.375 1.00 0.00 O ATOM 762 CB LYS A 49 4.814 1.665 -7.640 1.00 0.00 C ATOM 763 CG LYS A 49 5.537 1.447 -6.298 1.00 0.00 C ATOM 764 CD LYS A 49 6.519 0.271 -6.414 1.00 0.00 C ATOM 765 CE LYS A 49 7.038 -0.112 -5.020 1.00 0.00 C ATOM 766 NZ LYS A 49 8.210 -1.022 -5.155 1.00 0.00 N ATOM 0 H LYS A 49 2.669 1.279 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 49 4.215 3.591 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.350 0.735 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.532 1.952 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.073 2.352 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.809 1.247 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.024 -0.584 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.353 0.544 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.322 0.784 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.249 -0.601 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.230 -1.684 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.134 -1.557 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.086 -0.461 -5.163 1.00 0.00 H new ATOM 780 N LYS A 50 2.233 2.500 -9.367 1.00 0.00 N ATOM 781 CA LYS A 50 1.622 2.874 -10.629 1.00 0.00 C ATOM 782 C LYS A 50 0.832 4.160 -10.439 1.00 0.00 C ATOM 783 O LYS A 50 0.858 5.024 -11.296 1.00 0.00 O ATOM 784 CB LYS A 50 0.704 1.756 -11.140 1.00 0.00 C ATOM 785 CG LYS A 50 1.542 0.642 -11.775 1.00 0.00 C ATOM 786 CD LYS A 50 0.635 -0.549 -12.117 1.00 0.00 C ATOM 787 CE LYS A 50 1.456 -1.843 -12.134 1.00 0.00 C ATOM 788 NZ LYS A 50 1.090 -2.677 -10.953 1.00 0.00 N ATOM 0 H LYS A 50 1.839 1.665 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 50 2.404 3.032 -11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.113 1.354 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.002 2.156 -11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.032 1.010 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.329 0.328 -11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.168 -0.627 -11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.166 -0.393 -13.089 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.267 -2.394 -13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.521 -1.611 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.501 -3.627 -11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.459 -2.234 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.055 -2.753 -10.889 1.00 0.00 H new ATOM 802 N LEU A 51 0.150 4.275 -9.292 1.00 0.00 N ATOM 803 CA LEU A 51 -0.637 5.465 -8.966 1.00 0.00 C ATOM 804 C LEU A 51 0.264 6.636 -8.692 1.00 0.00 C ATOM 805 O LEU A 51 -0.027 7.764 -9.067 1.00 0.00 O ATOM 806 CB LEU A 51 -1.482 5.227 -7.725 1.00 0.00 C ATOM 807 CG LEU A 51 -2.883 4.800 -8.118 1.00 0.00 C ATOM 808 CD1 LEU A 51 -2.826 3.388 -8.713 1.00 0.00 C ATOM 809 CD2 LEU A 51 -3.782 4.868 -6.878 1.00 0.00 C ATOM 0 H LEU A 51 0.130 3.552 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.278 5.675 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.021 4.459 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.526 6.137 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.301 5.463 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.830 3.073 -8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.182 3.390 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.426 2.697 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.794 4.563 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.393 4.200 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.799 5.889 -6.497 1.00 0.00 H new ATOM 821 N ASN A 52 1.361 6.346 -8.024 1.00 0.00 N ATOM 822 CA ASN A 52 2.324 7.358 -7.683 1.00 0.00 C ATOM 823 C ASN A 52 2.789 7.992 -8.978 1.00 0.00 C ATOM 824 O ASN A 52 2.788 9.215 -9.136 1.00 0.00 O ATOM 825 CB ASN A 52 3.477 6.673 -6.939 1.00 0.00 C ATOM 826 CG ASN A 52 4.504 7.678 -6.441 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.279 8.352 -5.440 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.634 7.804 -7.079 1.00 0.00 N ATOM 0 H ASN A 52 1.604 5.408 -7.707 1.00 0.00 H new ATOM 0 HA ASN A 52 1.911 8.135 -7.039 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.081 6.109 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.962 5.956 -7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.336 8.465 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.816 7.241 -7.910 1.00 0.00 H new ATOM 835 N ASP A 53 3.127 7.121 -9.912 1.00 0.00 N ATOM 836 CA ASP A 53 3.547 7.522 -11.231 1.00 0.00 C ATOM 837 C ASP A 53 2.374 8.047 -12.076 1.00 0.00 C ATOM 838 O ASP A 53 2.534 8.981 -12.864 1.00 0.00 O ATOM 839 CB ASP A 53 4.196 6.322 -11.930 1.00 0.00 C ATOM 840 CG ASP A 53 5.430 5.827 -11.158 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.010 6.603 -10.408 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.780 4.671 -11.331 1.00 0.00 O ATOM 0 H ASP A 53 3.116 6.111 -9.770 1.00 0.00 H new ATOM 0 HA ASP A 53 4.262 8.338 -11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.471 5.513 -12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.486 6.601 -12.943 1.00 0.00 H new ATOM 847 N ALA A 54 1.217 7.387 -11.942 1.00 0.00 N ATOM 848 CA ALA A 54 0.023 7.720 -12.735 1.00 0.00 C ATOM 849 C ALA A 54 -0.652 9.011 -12.316 1.00 0.00 C ATOM 850 O ALA A 54 -1.139 9.765 -13.162 1.00 0.00 O ATOM 851 CB ALA A 54 -1.008 6.609 -12.562 1.00 0.00 C ATOM 0 H ALA A 54 1.080 6.615 -11.289 1.00 0.00 H new ATOM 0 HA ALA A 54 0.366 7.834 -13.763 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.898 6.845 -13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.587 5.665 -12.908 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.277 6.523 -11.509 1.00 0.00 H new ATOM 857 N GLN A 55 -0.713 9.244 -11.018 1.00 0.00 N ATOM 858 CA GLN A 55 -1.369 10.426 -10.502 1.00 0.00 C ATOM 859 C GLN A 55 -0.439 11.602 -10.547 1.00 0.00 C ATOM 860 O GLN A 55 -0.827 12.702 -10.948 1.00 0.00 O ATOM 861 CB GLN A 55 -1.767 10.189 -9.053 1.00 0.00 C ATOM 862 CG GLN A 55 -2.832 9.096 -8.956 1.00 0.00 C ATOM 863 CD GLN A 55 -3.179 8.856 -7.494 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.981 7.980 -7.188 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.634 9.596 -6.563 1.00 0.00 N ATOM 0 H GLN A 55 -0.317 8.631 -10.305 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.247 10.630 -11.114 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.890 9.902 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.148 11.114 -8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.724 9.392 -9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.466 8.175 -9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.967 10.325 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.876 9.444 -5.584 1.00 0.00 H new ATOM 874 N ALA A 56 0.785 11.348 -10.088 1.00 0.00 N ATOM 875 CA ALA A 56 1.813 12.385 -10.004 1.00 0.00 C ATOM 876 C ALA A 56 1.173 13.726 -9.593 1.00 0.00 C ATOM 877 O ALA A 56 1.348 14.739 -10.271 1.00 0.00 O ATOM 878 CB ALA A 56 2.537 12.511 -11.347 1.00 0.00 C ATOM 0 H ALA A 56 1.090 10.429 -9.767 1.00 0.00 H new ATOM 0 HA ALA A 56 2.545 12.109 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.301 13.285 -11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.006 11.560 -11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.820 12.778 -12.123 1.00 0.00 H new