USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 25 TYR OH : rot 46:sc= 0.284 USER MOD Set 1.2: A 63 ASN : amide:sc= -10.3! C(o=-10!,f=-2.6!) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.0403 (180deg=-0.504) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0304) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -5.69! C(o=-5.7!,f=-17!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.162 USER MOD Single : A 33 HIS : no HE2:sc= -2.85! C(o=-2.9!,f=-4.7!) USER MOD Single : A 35 MET CE :methyl 167:sc= 0 (180deg=-0.161) USER MOD Single : A 37 ASN : amide:sc= -0.0421 K(o=-0.042,f=-1.1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.57) USER MOD Single : A 50 MET CE :methyl 179:sc= -0.723 (180deg=-0.747) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -115:sc= -1.53 (180deg=-3.59!) USER MOD Single : A 70 MET CE :methyl -147:sc= -0.366 (180deg=-1.49!) USER MOD Single : A 71 MET CE :methyl -145:sc= -0.179 (180deg=-2.44!) USER MOD Single : A 72 MET CE :methyl -120:sc= 0 (180deg=-0.0266) USER MOD Single : A 73 THR OG1 : rot 78:sc= 0.169 USER MOD Single : A 81 ASN : amide:sc= -1.31! C(o=-1.3!,f=-5.4!) USER MOD Single : A 84 SER OG : rot 70:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.447 -1.186 -2.744 1.00 0.00 N ATOM 108 CA GLU A 9 14.149 -0.468 -3.976 1.00 0.00 C ATOM 109 C GLU A 9 12.678 -0.634 -4.341 1.00 0.00 C ATOM 110 O GLU A 9 12.033 0.308 -4.794 1.00 0.00 O ATOM 111 CB GLU A 9 15.037 -0.999 -5.115 1.00 0.00 C ATOM 112 CG GLU A 9 16.446 -0.409 -4.999 1.00 0.00 C ATOM 113 CD GLU A 9 17.119 -0.918 -3.730 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.761 -0.446 -2.665 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.984 -1.773 -3.844 1.00 0.00 O ATOM 0 HA GLU A 9 14.354 0.592 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.085 -2.087 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.602 -0.736 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.038 -0.686 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.393 0.680 -4.982 1.00 0.00 H new ATOM 122 N GLU A 10 12.152 -1.835 -4.144 1.00 0.00 N ATOM 123 CA GLU A 10 10.758 -2.103 -4.464 1.00 0.00 C ATOM 124 C GLU A 10 9.846 -1.178 -3.673 1.00 0.00 C ATOM 125 O GLU A 10 8.957 -0.538 -4.234 1.00 0.00 O ATOM 126 CB GLU A 10 10.419 -3.561 -4.135 1.00 0.00 C ATOM 127 CG GLU A 10 8.965 -3.856 -4.518 1.00 0.00 C ATOM 128 CD GLU A 10 8.646 -5.323 -4.256 1.00 0.00 C ATOM 129 OE1 GLU A 10 9.577 -6.096 -4.123 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.472 -5.653 -4.193 1.00 0.00 O ATOM 0 H GLU A 10 12.665 -2.632 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 10 10.605 -1.926 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.089 -4.230 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.569 -3.748 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.292 -3.220 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.802 -3.622 -5.570 1.00 0.00 H new ATOM 137 N LEU A 11 10.067 -1.115 -2.365 1.00 0.00 N ATOM 138 CA LEU A 11 9.251 -0.273 -1.507 1.00 0.00 C ATOM 139 C LEU A 11 9.367 1.177 -1.931 1.00 0.00 C ATOM 140 O LEU A 11 8.371 1.896 -1.959 1.00 0.00 O ATOM 141 CB LEU A 11 9.713 -0.407 -0.057 1.00 0.00 C ATOM 142 CG LEU A 11 9.350 -1.800 0.481 1.00 0.00 C ATOM 143 CD1 LEU A 11 10.094 -2.053 1.799 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.825 -1.912 0.716 1.00 0.00 C ATOM 0 H LEU A 11 10.800 -1.634 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 11 8.213 -0.593 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.790 -0.252 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.244 0.363 0.556 1.00 0.00 H new ATOM 0 HG LEU A 11 9.645 -2.547 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.835 -3.041 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.169 -2.001 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.807 -1.297 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.588 -2.905 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.513 -1.161 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.299 -1.749 -0.225 1.00 0.00 H new ATOM 156 N LYS A 12 10.577 1.610 -2.256 1.00 0.00 N ATOM 157 CA LYS A 12 10.784 2.990 -2.673 1.00 0.00 C ATOM 158 C LYS A 12 10.102 3.281 -4.005 1.00 0.00 C ATOM 159 O LYS A 12 9.349 4.247 -4.126 1.00 0.00 O ATOM 160 CB LYS A 12 12.285 3.250 -2.802 1.00 0.00 C ATOM 161 CG LYS A 12 12.930 3.321 -1.403 1.00 0.00 C ATOM 162 CD LYS A 12 12.836 4.748 -0.855 1.00 0.00 C ATOM 163 CE LYS A 12 13.473 4.806 0.528 1.00 0.00 C ATOM 164 NZ LYS A 12 14.930 4.522 0.413 1.00 0.00 N ATOM 0 H LYS A 12 11.420 1.035 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 12 10.345 3.646 -1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.751 2.457 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.456 4.183 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.428 2.629 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.974 3.012 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.340 5.441 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.793 5.059 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.317 5.789 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.001 4.079 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.421 4.882 1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.079 3.495 0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.309 4.990 -0.435 1.00 0.00 H new ATOM 178 N GLU A 13 10.369 2.451 -5.000 1.00 0.00 N ATOM 179 CA GLU A 13 9.779 2.648 -6.316 1.00 0.00 C ATOM 180 C GLU A 13 8.258 2.708 -6.219 1.00 0.00 C ATOM 181 O GLU A 13 7.626 3.672 -6.662 1.00 0.00 O ATOM 182 CB GLU A 13 10.192 1.498 -7.242 1.00 0.00 C ATOM 183 CG GLU A 13 11.678 1.619 -7.593 1.00 0.00 C ATOM 184 CD GLU A 13 12.119 0.413 -8.418 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.291 -0.450 -8.660 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.280 0.369 -8.793 1.00 0.00 O ATOM 0 H GLU A 13 10.985 1.641 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 13 10.139 3.593 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.001 0.541 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.592 1.518 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.854 2.537 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.272 1.683 -6.681 1.00 0.00 H new ATOM 193 N ALA A 14 7.673 1.679 -5.620 1.00 0.00 N ATOM 194 CA ALA A 14 6.228 1.628 -5.467 1.00 0.00 C ATOM 195 C ALA A 14 5.731 2.861 -4.722 1.00 0.00 C ATOM 196 O ALA A 14 4.748 3.484 -5.121 1.00 0.00 O ATOM 197 CB ALA A 14 5.827 0.363 -4.700 1.00 0.00 C ATOM 0 H ALA A 14 8.172 0.877 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 14 5.773 1.607 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.743 0.333 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.161 -0.517 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.292 0.373 -3.714 1.00 0.00 H new ATOM 203 N PHE A 15 6.408 3.205 -3.633 1.00 0.00 N ATOM 204 CA PHE A 15 6.006 4.358 -2.835 1.00 0.00 C ATOM 205 C PHE A 15 5.880 5.597 -3.712 1.00 0.00 C ATOM 206 O PHE A 15 4.905 6.341 -3.616 1.00 0.00 O ATOM 207 CB PHE A 15 7.040 4.615 -1.738 1.00 0.00 C ATOM 208 CG PHE A 15 6.565 5.732 -0.840 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.456 5.529 -0.010 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.228 6.967 -0.834 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.010 6.557 0.826 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.780 7.994 0.005 1.00 0.00 C ATOM 213 CZ PHE A 15 5.671 7.789 0.834 1.00 0.00 C ATOM 0 H PHE A 15 7.228 2.709 -3.285 1.00 0.00 H new ATOM 0 HA PHE A 15 5.037 4.145 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.197 3.708 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.999 4.877 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.945 4.578 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.082 7.126 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.154 6.399 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.291 8.946 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.326 8.583 1.480 1.00 0.00 H new ATOM 223 N LYS A 16 6.868 5.810 -4.566 1.00 0.00 N ATOM 224 CA LYS A 16 6.855 6.960 -5.462 1.00 0.00 C ATOM 225 C LYS A 16 5.669 6.889 -6.401 1.00 0.00 C ATOM 226 O LYS A 16 5.087 7.912 -6.767 1.00 0.00 O ATOM 227 CB LYS A 16 8.127 6.982 -6.298 1.00 0.00 C ATOM 228 CG LYS A 16 9.308 7.233 -5.387 1.00 0.00 C ATOM 229 CD LYS A 16 10.633 7.061 -6.158 1.00 0.00 C ATOM 230 CE LYS A 16 10.922 8.314 -6.996 1.00 0.00 C ATOM 231 NZ LYS A 16 12.250 8.179 -7.654 1.00 0.00 N ATOM 0 H LYS A 16 7.685 5.207 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 16 6.788 7.862 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.250 6.034 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.065 7.761 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.249 8.240 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.278 6.542 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.450 6.886 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.575 6.186 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.144 8.448 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.908 9.200 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.444 9.029 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.987 8.071 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.248 7.343 -8.272 1.00 0.00 H new ATOM 245 N VAL A 17 5.313 5.672 -6.797 1.00 0.00 N ATOM 246 CA VAL A 17 4.194 5.498 -7.701 1.00 0.00 C ATOM 247 C VAL A 17 2.863 5.828 -7.008 1.00 0.00 C ATOM 248 O VAL A 17 1.990 6.480 -7.584 1.00 0.00 O ATOM 249 CB VAL A 17 4.160 4.065 -8.241 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.943 3.871 -9.160 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.448 3.794 -9.022 1.00 0.00 C ATOM 0 H VAL A 17 5.776 4.809 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 17 4.328 6.190 -8.533 1.00 0.00 H new ATOM 0 HB VAL A 17 4.080 3.367 -7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.931 2.848 -9.537 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.029 4.061 -8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.005 4.566 -9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.431 2.775 -9.410 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.525 4.497 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.307 3.917 -8.362 1.00 0.00 H new ATOM 261 N PHE A 18 2.721 5.357 -5.775 1.00 0.00 N ATOM 262 CA PHE A 18 1.507 5.602 -5.004 1.00 0.00 C ATOM 263 C PHE A 18 1.453 7.049 -4.537 1.00 0.00 C ATOM 264 O PHE A 18 0.396 7.683 -4.566 1.00 0.00 O ATOM 265 CB PHE A 18 1.448 4.647 -3.795 1.00 0.00 C ATOM 266 CG PHE A 18 0.845 3.325 -4.208 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.541 3.152 -4.154 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.666 2.282 -4.648 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.110 1.934 -4.539 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.098 1.064 -5.036 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.290 0.890 -4.981 1.00 0.00 C ATOM 0 H PHE A 18 3.428 4.805 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 18 0.644 5.416 -5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.450 4.490 -3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.854 5.093 -2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.173 3.960 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.737 2.417 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.181 1.799 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.730 0.258 -5.378 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.728 -0.051 -5.280 1.00 0.00 H new ATOM 281 N ASP A 19 2.595 7.562 -4.095 1.00 0.00 N ATOM 282 CA ASP A 19 2.661 8.930 -3.609 1.00 0.00 C ATOM 283 C ASP A 19 2.720 9.901 -4.775 1.00 0.00 C ATOM 284 O ASP A 19 3.720 10.592 -4.973 1.00 0.00 O ATOM 285 CB ASP A 19 3.895 9.111 -2.723 1.00 0.00 C ATOM 286 CG ASP A 19 3.785 10.408 -1.935 1.00 0.00 C ATOM 287 OD1 ASP A 19 3.051 11.278 -2.369 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.440 10.516 -0.910 1.00 0.00 O ATOM 0 H ASP A 19 3.479 7.055 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 19 1.765 9.136 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.989 8.267 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.795 9.125 -3.338 1.00 0.00 H new ATOM 293 N LYS A 20 1.649 9.941 -5.554 1.00 0.00 N ATOM 294 CA LYS A 20 1.604 10.818 -6.710 1.00 0.00 C ATOM 295 C LYS A 20 1.808 12.268 -6.293 1.00 0.00 C ATOM 296 O LYS A 20 2.563 13.006 -6.926 1.00 0.00 O ATOM 297 CB LYS A 20 0.253 10.679 -7.424 1.00 0.00 C ATOM 298 CG LYS A 20 0.190 11.595 -8.660 1.00 0.00 C ATOM 299 CD LYS A 20 1.225 11.143 -9.700 1.00 0.00 C ATOM 300 CE LYS A 20 0.900 11.756 -11.055 1.00 0.00 C ATOM 301 NZ LYS A 20 1.105 13.230 -10.985 1.00 0.00 N ATOM 0 H LYS A 20 0.809 9.382 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 20 2.407 10.529 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.101 9.643 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.554 10.932 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.810 11.567 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.382 12.628 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.224 11.443 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.228 10.056 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.538 11.324 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.130 11.532 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.034 13.636 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.378 13.653 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.047 13.431 -10.593 1.00 0.00 H new ATOM 315 N ASP A 21 1.126 12.671 -5.233 1.00 0.00 N ATOM 316 CA ASP A 21 1.234 14.042 -4.747 1.00 0.00 C ATOM 317 C ASP A 21 2.629 14.299 -4.187 1.00 0.00 C ATOM 318 O ASP A 21 3.064 15.444 -4.066 1.00 0.00 O ATOM 319 CB ASP A 21 0.177 14.298 -3.666 1.00 0.00 C ATOM 320 CG ASP A 21 0.402 13.371 -2.478 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.543 13.063 -2.210 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.573 12.976 -1.855 1.00 0.00 O ATOM 0 H ASP A 21 0.496 12.076 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 21 1.063 14.724 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.225 15.337 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.820 14.138 -4.077 1.00 0.00 H new ATOM 327 N GLN A 22 3.323 13.218 -3.846 1.00 0.00 N ATOM 328 CA GLN A 22 4.672 13.326 -3.295 1.00 0.00 C ATOM 329 C GLN A 22 4.652 14.117 -1.983 1.00 0.00 C ATOM 330 O GLN A 22 5.597 14.831 -1.658 1.00 0.00 O ATOM 331 CB GLN A 22 5.592 14.026 -4.303 1.00 0.00 C ATOM 332 CG GLN A 22 7.056 13.692 -3.989 1.00 0.00 C ATOM 333 CD GLN A 22 7.977 14.466 -4.919 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.983 15.696 -4.903 1.00 0.00 O ATOM 335 NE2 GLN A 22 8.760 13.816 -5.733 1.00 0.00 N ATOM 0 H GLN A 22 2.978 12.263 -3.940 1.00 0.00 H new ATOM 0 HA GLN A 22 5.048 12.322 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.346 13.708 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.438 15.104 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.280 13.941 -2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.226 12.621 -4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.752 12.796 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.381 14.327 -6.360 1.00 0.00 H new ATOM 344 N ASN A 23 3.566 13.990 -1.232 1.00 0.00 N ATOM 345 CA ASN A 23 3.434 14.697 0.039 1.00 0.00 C ATOM 346 C ASN A 23 3.923 13.821 1.185 1.00 0.00 C ATOM 347 O ASN A 23 3.929 14.242 2.339 1.00 0.00 O ATOM 348 CB ASN A 23 1.970 15.076 0.270 1.00 0.00 C ATOM 349 CG ASN A 23 1.101 13.823 0.315 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.602 12.712 0.136 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.178 13.935 0.547 1.00 0.00 N ATOM 0 H ASN A 23 2.766 13.407 -1.478 1.00 0.00 H new ATOM 0 HA ASN A 23 4.042 15.601 0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.873 15.628 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.628 15.736 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.765 13.102 0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.591 14.856 0.695 1.00 0.00 H new ATOM 358 N GLY A 24 4.333 12.601 0.857 1.00 0.00 N ATOM 359 CA GLY A 24 4.827 11.676 1.869 1.00 0.00 C ATOM 360 C GLY A 24 3.674 11.030 2.629 1.00 0.00 C ATOM 361 O GLY A 24 3.883 10.360 3.639 1.00 0.00 O ATOM 0 H GLY A 24 4.333 12.232 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.433 10.904 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.475 12.207 2.567 1.00 0.00 H new ATOM 365 N TYR A 25 2.456 11.239 2.138 1.00 0.00 N ATOM 366 CA TYR A 25 1.265 10.678 2.778 1.00 0.00 C ATOM 367 C TYR A 25 0.245 10.253 1.732 1.00 0.00 C ATOM 368 O TYR A 25 -0.267 11.082 0.981 1.00 0.00 O ATOM 369 CB TYR A 25 0.643 11.716 3.710 1.00 0.00 C ATOM 370 CG TYR A 25 1.523 11.896 4.924 1.00 0.00 C ATOM 371 CD1 TYR A 25 1.411 11.015 6.005 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.452 12.942 4.967 1.00 0.00 C ATOM 373 CE1 TYR A 25 2.226 11.180 7.131 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.267 13.107 6.094 1.00 0.00 C ATOM 375 CZ TYR A 25 3.154 12.226 7.174 1.00 0.00 C ATOM 376 OH TYR A 25 3.960 12.389 8.284 1.00 0.00 O ATOM 0 H TYR A 25 2.265 11.791 1.302 1.00 0.00 H new ATOM 0 HA TYR A 25 1.560 9.801 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.527 12.666 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.353 11.396 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.695 10.207 5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.540 13.621 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.138 10.500 7.966 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.983 13.915 6.129 1.00 0.00 H new ATOM 0 HH TYR A 25 4.336 11.523 8.545 1.00 0.00 H new ATOM 386 N ILE A 26 -0.050 8.957 1.698 1.00 0.00 N ATOM 387 CA ILE A 26 -1.018 8.424 0.739 1.00 0.00 C ATOM 388 C ILE A 26 -2.432 8.564 1.280 1.00 0.00 C ATOM 389 O ILE A 26 -2.677 8.326 2.463 1.00 0.00 O ATOM 390 CB ILE A 26 -0.721 6.957 0.451 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.685 6.831 -0.140 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.743 6.417 -0.552 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.103 5.360 -0.143 1.00 0.00 C ATOM 0 H ILE A 26 0.362 8.259 2.317 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.935 8.994 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.782 6.385 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.702 7.228 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.392 7.420 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.531 5.368 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.746 6.509 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.681 6.989 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.104 5.267 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.102 4.979 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.401 4.784 -0.746 1.00 0.00 H new ATOM 405 N SER A 27 -3.361 8.959 0.409 1.00 0.00 N ATOM 406 CA SER A 27 -4.763 9.138 0.804 1.00 0.00 C ATOM 407 C SER A 27 -5.672 8.277 -0.062 1.00 0.00 C ATOM 408 O SER A 27 -5.323 7.924 -1.189 1.00 0.00 O ATOM 409 CB SER A 27 -5.160 10.607 0.656 1.00 0.00 C ATOM 410 OG SER A 27 -4.472 11.375 1.635 1.00 0.00 O ATOM 0 H SER A 27 -3.171 9.161 -0.573 1.00 0.00 H new ATOM 0 HA SER A 27 -4.873 8.834 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.914 10.964 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.237 10.720 0.778 1.00 0.00 H new ATOM 0 HG SER A 27 -4.721 12.319 1.545 1.00 0.00 H new ATOM 416 N ALA A 28 -6.839 7.939 0.476 1.00 0.00 N ATOM 417 CA ALA A 28 -7.799 7.111 -0.248 1.00 0.00 C ATOM 418 C ALA A 28 -7.881 7.540 -1.710 1.00 0.00 C ATOM 419 O ALA A 28 -7.966 6.702 -2.608 1.00 0.00 O ATOM 420 CB ALA A 28 -9.184 7.235 0.395 1.00 0.00 C ATOM 0 H ALA A 28 -7.143 8.224 1.407 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.464 6.075 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.895 6.615 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.135 6.904 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.509 8.275 0.361 1.00 0.00 H new ATOM 426 N SER A 29 -7.863 8.850 -1.943 1.00 0.00 N ATOM 427 CA SER A 29 -7.947 9.370 -3.303 1.00 0.00 C ATOM 428 C SER A 29 -6.792 8.843 -4.150 1.00 0.00 C ATOM 429 O SER A 29 -6.996 8.358 -5.263 1.00 0.00 O ATOM 430 CB SER A 29 -7.896 10.898 -3.273 1.00 0.00 C ATOM 431 OG SER A 29 -6.684 11.317 -2.658 1.00 0.00 O ATOM 0 H SER A 29 -7.792 9.563 -1.217 1.00 0.00 H new ATOM 0 HA SER A 29 -8.888 9.040 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.959 11.295 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.751 11.291 -2.723 1.00 0.00 H new ATOM 0 HG SER A 29 -6.648 12.296 -2.639 1.00 0.00 H new ATOM 437 N GLU A 30 -5.583 8.926 -3.611 1.00 0.00 N ATOM 438 CA GLU A 30 -4.407 8.444 -4.328 1.00 0.00 C ATOM 439 C GLU A 30 -4.466 6.932 -4.491 1.00 0.00 C ATOM 440 O GLU A 30 -4.176 6.398 -5.564 1.00 0.00 O ATOM 441 CB GLU A 30 -3.136 8.834 -3.568 1.00 0.00 C ATOM 442 CG GLU A 30 -2.884 10.334 -3.729 1.00 0.00 C ATOM 443 CD GLU A 30 -1.704 10.753 -2.866 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.789 10.585 -1.663 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.723 11.219 -3.424 1.00 0.00 O ATOM 0 H GLU A 30 -5.390 9.318 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.390 8.903 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.240 8.583 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.285 8.269 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.683 10.568 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.774 10.895 -3.442 1.00 0.00 H new ATOM 452 N LEU A 31 -4.841 6.246 -3.425 1.00 0.00 N ATOM 453 CA LEU A 31 -4.924 4.797 -3.464 1.00 0.00 C ATOM 454 C LEU A 31 -5.967 4.346 -4.476 1.00 0.00 C ATOM 455 O LEU A 31 -5.729 3.429 -5.261 1.00 0.00 O ATOM 456 CB LEU A 31 -5.289 4.256 -2.075 1.00 0.00 C ATOM 457 CG LEU A 31 -4.904 2.761 -1.971 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.434 2.626 -1.546 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.792 2.071 -0.930 1.00 0.00 C ATOM 0 H LEU A 31 -5.091 6.665 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.952 4.405 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.771 4.828 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.358 4.378 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.045 2.292 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.171 1.571 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.796 3.110 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.291 3.101 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.519 1.018 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.653 2.548 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.837 2.155 -1.230 1.00 0.00 H new ATOM 471 N ARG A 32 -7.124 4.995 -4.451 1.00 0.00 N ATOM 472 CA ARG A 32 -8.191 4.649 -5.371 1.00 0.00 C ATOM 473 C ARG A 32 -7.748 4.882 -6.810 1.00 0.00 C ATOM 474 O ARG A 32 -7.986 4.049 -7.684 1.00 0.00 O ATOM 475 CB ARG A 32 -9.428 5.504 -5.075 1.00 0.00 C ATOM 476 CG ARG A 32 -10.548 5.158 -6.061 1.00 0.00 C ATOM 477 CD ARG A 32 -11.748 6.074 -5.820 1.00 0.00 C ATOM 478 NE ARG A 32 -12.348 5.794 -4.521 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.240 4.819 -4.373 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.593 4.096 -5.400 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.761 4.586 -3.200 1.00 0.00 N ATOM 0 H ARG A 32 -7.343 5.756 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.434 3.595 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.765 5.331 -4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.177 6.562 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.192 5.271 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.844 4.116 -5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.433 7.116 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.487 5.930 -6.608 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.079 6.355 -3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.185 4.279 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.277 3.348 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.484 5.151 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.445 3.838 -3.085 1.00 0.00 H new ATOM 495 N HIS A 33 -7.113 6.021 -7.051 1.00 0.00 N ATOM 496 CA HIS A 33 -6.663 6.355 -8.398 1.00 0.00 C ATOM 497 C HIS A 33 -5.712 5.287 -8.916 1.00 0.00 C ATOM 498 O HIS A 33 -5.777 4.890 -10.081 1.00 0.00 O ATOM 499 CB HIS A 33 -5.957 7.713 -8.388 1.00 0.00 C ATOM 500 CG HIS A 33 -6.970 8.802 -8.159 1.00 0.00 C ATOM 501 ND1 HIS A 33 -6.792 9.787 -7.201 1.00 0.00 N ATOM 502 CD2 HIS A 33 -8.178 9.073 -8.754 1.00 0.00 C ATOM 503 CE1 HIS A 33 -7.864 10.598 -7.246 1.00 0.00 C ATOM 504 NE2 HIS A 33 -8.740 10.208 -8.176 1.00 0.00 N ATOM 0 H HIS A 33 -6.899 6.722 -6.342 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.531 6.404 -9.055 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.199 7.735 -7.605 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.441 7.874 -9.335 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.992 9.880 -6.575 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.624 8.494 -9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.000 11.459 -6.608 1.00 0.00 H new ATOM 512 N VAL A 34 -4.830 4.830 -8.044 1.00 0.00 N ATOM 513 CA VAL A 34 -3.860 3.804 -8.418 1.00 0.00 C ATOM 514 C VAL A 34 -4.559 2.477 -8.700 1.00 0.00 C ATOM 515 O VAL A 34 -4.209 1.765 -9.647 1.00 0.00 O ATOM 516 CB VAL A 34 -2.826 3.615 -7.302 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.889 2.446 -7.651 1.00 0.00 C ATOM 518 CG2 VAL A 34 -2.007 4.903 -7.139 1.00 0.00 C ATOM 0 H VAL A 34 -4.762 5.148 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.352 4.133 -9.325 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.341 3.392 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.156 2.317 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.473 1.532 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.373 2.660 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.272 4.769 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.495 5.129 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.672 5.727 -6.881 1.00 0.00 H new ATOM 528 N MET A 35 -5.539 2.140 -7.866 1.00 0.00 N ATOM 529 CA MET A 35 -6.262 0.895 -8.029 1.00 0.00 C ATOM 530 C MET A 35 -6.985 0.871 -9.371 1.00 0.00 C ATOM 531 O MET A 35 -6.983 -0.141 -10.070 1.00 0.00 O ATOM 532 CB MET A 35 -7.280 0.745 -6.890 1.00 0.00 C ATOM 533 CG MET A 35 -6.549 0.384 -5.593 1.00 0.00 C ATOM 534 SD MET A 35 -5.908 -1.306 -5.707 1.00 0.00 S ATOM 535 CE MET A 35 -5.314 -1.438 -4.003 1.00 0.00 C ATOM 0 H MET A 35 -5.845 2.711 -7.078 1.00 0.00 H new ATOM 0 HA MET A 35 -5.553 0.067 -8.000 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.835 1.674 -6.760 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.007 -0.029 -7.137 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.731 1.083 -5.418 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.228 0.470 -4.745 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.085 -2.479 -3.777 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.414 -0.834 -3.883 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.085 -1.080 -3.320 1.00 0.00 H new ATOM 545 N ILE A 36 -7.596 1.990 -9.735 1.00 0.00 N ATOM 546 CA ILE A 36 -8.314 2.067 -10.999 1.00 0.00 C ATOM 547 C ILE A 36 -7.344 1.988 -12.171 1.00 0.00 C ATOM 548 O ILE A 36 -7.592 1.284 -13.149 1.00 0.00 O ATOM 549 CB ILE A 36 -9.112 3.378 -11.068 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.213 3.365 -9.992 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.753 3.533 -12.447 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.199 2.193 -10.202 1.00 0.00 C ATOM 0 H ILE A 36 -7.609 2.846 -9.181 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.002 1.224 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.435 4.215 -10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.757 3.286 -9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.758 4.309 -10.017 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.316 4.466 -12.484 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.975 3.548 -13.210 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.426 2.696 -12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.962 2.216 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.674 2.287 -11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.657 1.248 -10.151 1.00 0.00 H new ATOM 564 N ASN A 37 -6.243 2.714 -12.057 1.00 0.00 N ATOM 565 CA ASN A 37 -5.238 2.728 -13.110 1.00 0.00 C ATOM 566 C ASN A 37 -4.708 1.319 -13.340 1.00 0.00 C ATOM 567 O ASN A 37 -4.310 0.966 -14.450 1.00 0.00 O ATOM 568 CB ASN A 37 -4.090 3.665 -12.734 1.00 0.00 C ATOM 569 CG ASN A 37 -3.001 3.604 -13.798 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.294 3.451 -14.984 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.749 3.715 -13.444 1.00 0.00 N ATOM 0 H ASN A 37 -6.023 3.299 -11.251 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.697 3.090 -14.030 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.459 4.686 -12.637 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.680 3.381 -11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.014 3.675 -14.150 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.506 3.842 -12.461 1.00 0.00 H new ATOM 578 N LEU A 38 -4.709 0.520 -12.281 1.00 0.00 N ATOM 579 CA LEU A 38 -4.228 -0.854 -12.375 1.00 0.00 C ATOM 580 C LEU A 38 -5.279 -1.748 -13.017 1.00 0.00 C ATOM 581 O LEU A 38 -5.103 -2.963 -13.106 1.00 0.00 O ATOM 582 CB LEU A 38 -3.888 -1.377 -10.976 1.00 0.00 C ATOM 583 CG LEU A 38 -2.552 -0.768 -10.500 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.466 -0.847 -8.973 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.360 -1.538 -11.107 1.00 0.00 C ATOM 0 H LEU A 38 -5.034 0.795 -11.354 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.334 -0.869 -12.998 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.685 -1.119 -10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.817 -2.465 -10.992 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.511 0.272 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.522 -0.417 -8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.294 -0.292 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.521 -1.889 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.426 -1.095 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.404 -2.581 -10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.407 -1.482 -12.195 1.00 0.00 H new ATOM 597 N GLY A 39 -6.363 -1.142 -13.472 1.00 0.00 N ATOM 598 CA GLY A 39 -7.430 -1.898 -14.111 1.00 0.00 C ATOM 599 C GLY A 39 -8.246 -2.662 -13.079 1.00 0.00 C ATOM 600 O GLY A 39 -8.930 -3.627 -13.412 1.00 0.00 O ATOM 0 H GLY A 39 -6.528 -0.137 -13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.080 -1.221 -14.665 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.005 -2.595 -14.833 1.00 0.00 H new ATOM 604 N GLU A 40 -8.171 -2.224 -11.824 1.00 0.00 N ATOM 605 CA GLU A 40 -8.909 -2.873 -10.736 1.00 0.00 C ATOM 606 C GLU A 40 -10.009 -1.953 -10.225 1.00 0.00 C ATOM 607 O GLU A 40 -9.778 -0.768 -9.993 1.00 0.00 O ATOM 608 CB GLU A 40 -7.954 -3.205 -9.591 1.00 0.00 C ATOM 609 CG GLU A 40 -6.954 -4.270 -10.050 1.00 0.00 C ATOM 610 CD GLU A 40 -7.676 -5.590 -10.307 1.00 0.00 C ATOM 611 OE1 GLU A 40 -8.412 -6.019 -9.435 1.00 0.00 O ATOM 612 OE2 GLU A 40 -7.484 -6.149 -11.373 1.00 0.00 O ATOM 0 H GLU A 40 -7.609 -1.424 -11.533 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.358 -3.791 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.424 -2.307 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.515 -3.566 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.450 -3.939 -10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.185 -4.409 -9.291 1.00 0.00 H new ATOM 619 N LYS A 41 -11.204 -2.512 -10.050 1.00 0.00 N ATOM 620 CA LYS A 41 -12.350 -1.742 -9.562 1.00 0.00 C ATOM 621 C LYS A 41 -12.762 -2.242 -8.185 1.00 0.00 C ATOM 622 O LYS A 41 -13.473 -3.237 -8.063 1.00 0.00 O ATOM 623 CB LYS A 41 -13.525 -1.889 -10.529 1.00 0.00 C ATOM 624 CG LYS A 41 -14.626 -0.907 -10.133 1.00 0.00 C ATOM 625 CD LYS A 41 -15.771 -0.989 -11.141 1.00 0.00 C ATOM 626 CE LYS A 41 -16.865 0.007 -10.754 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.962 -0.044 -11.761 1.00 0.00 N ATOM 0 H LYS A 41 -11.406 -3.494 -10.238 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.066 -0.692 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.198 -1.695 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.906 -2.910 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.991 -1.138 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.228 0.107 -10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.403 -0.770 -12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.177 -2.000 -11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.254 -0.231 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.452 1.014 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.706 0.633 -11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.585 0.203 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.362 -1.004 -11.790 1.00 0.00 H new ATOM 641 N LEU A 42 -12.293 -1.553 -7.148 1.00 0.00 N ATOM 642 CA LEU A 42 -12.597 -1.938 -5.770 1.00 0.00 C ATOM 643 C LEU A 42 -13.627 -0.992 -5.187 1.00 0.00 C ATOM 644 O LEU A 42 -14.144 -0.123 -5.887 1.00 0.00 O ATOM 645 CB LEU A 42 -11.322 -1.887 -4.922 1.00 0.00 C ATOM 646 CG LEU A 42 -10.210 -2.701 -5.604 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.875 -2.405 -4.928 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.512 -4.203 -5.500 1.00 0.00 C ATOM 0 H LEU A 42 -11.702 -0.726 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.994 -2.953 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.001 -0.853 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.520 -2.286 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.161 -2.420 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.087 -2.982 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.651 -1.342 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.932 -2.680 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.717 -4.768 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.571 -4.490 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.462 -4.418 -5.989 1.00 0.00 H new ATOM 660 N THR A 43 -13.931 -1.175 -3.906 1.00 0.00 N ATOM 661 CA THR A 43 -14.918 -0.333 -3.226 1.00 0.00 C ATOM 662 C THR A 43 -14.245 0.552 -2.184 1.00 0.00 C ATOM 663 O THR A 43 -13.201 0.207 -1.633 1.00 0.00 O ATOM 664 CB THR A 43 -15.983 -1.219 -2.550 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.102 -2.439 -3.269 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.335 -0.502 -2.538 1.00 0.00 C ATOM 0 H THR A 43 -13.512 -1.895 -3.317 1.00 0.00 H new ATOM 0 HA THR A 43 -15.396 0.308 -3.967 1.00 0.00 H new ATOM 0 HB THR A 43 -15.680 -1.422 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.777 -3.006 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.079 -1.137 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.246 0.433 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.644 -0.291 -3.562 1.00 0.00 H new ATOM 674 N ASP A 44 -14.855 1.694 -1.927 1.00 0.00 N ATOM 675 CA ASP A 44 -14.315 2.638 -0.956 1.00 0.00 C ATOM 676 C ASP A 44 -14.096 1.947 0.384 1.00 0.00 C ATOM 677 O ASP A 44 -13.074 2.143 1.038 1.00 0.00 O ATOM 678 CB ASP A 44 -15.278 3.813 -0.765 1.00 0.00 C ATOM 679 CG ASP A 44 -14.581 4.941 -0.013 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.477 5.291 -0.395 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.162 5.441 0.937 1.00 0.00 O ATOM 0 H ASP A 44 -15.722 1.993 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.362 3.010 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.625 4.171 -1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.159 3.486 -0.212 1.00 0.00 H new ATOM 686 N GLU A 45 -15.065 1.138 0.793 1.00 0.00 N ATOM 687 CA GLU A 45 -14.961 0.428 2.063 1.00 0.00 C ATOM 688 C GLU A 45 -13.604 -0.259 2.180 1.00 0.00 C ATOM 689 O GLU A 45 -12.958 -0.199 3.225 1.00 0.00 O ATOM 690 CB GLU A 45 -16.071 -0.622 2.163 1.00 0.00 C ATOM 691 CG GLU A 45 -16.095 -1.214 3.576 1.00 0.00 C ATOM 692 CD GLU A 45 -16.588 -0.166 4.567 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.053 0.870 4.119 1.00 0.00 O ATOM 694 OE2 GLU A 45 -16.487 -0.409 5.757 1.00 0.00 O ATOM 0 H GLU A 45 -15.923 0.958 0.271 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.065 1.150 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.035 -0.169 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.905 -1.412 1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.746 -2.088 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.097 -1.551 3.856 1.00 0.00 H new ATOM 701 N GLU A 46 -13.175 -0.910 1.106 1.00 0.00 N ATOM 702 CA GLU A 46 -11.891 -1.601 1.115 1.00 0.00 C ATOM 703 C GLU A 46 -10.746 -0.611 1.324 1.00 0.00 C ATOM 704 O GLU A 46 -9.796 -0.888 2.059 1.00 0.00 O ATOM 705 CB GLU A 46 -11.690 -2.346 -0.208 1.00 0.00 C ATOM 706 CG GLU A 46 -12.678 -3.512 -0.294 1.00 0.00 C ATOM 707 CD GLU A 46 -12.477 -4.271 -1.600 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.519 -3.971 -2.292 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.276 -5.148 -1.885 1.00 0.00 O ATOM 0 H GLU A 46 -13.690 -0.974 0.228 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.891 -2.315 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.840 -1.666 -1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.667 -2.717 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.535 -4.184 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.700 -3.138 -0.235 1.00 0.00 H new ATOM 716 N VAL A 47 -10.847 0.548 0.686 1.00 0.00 N ATOM 717 CA VAL A 47 -9.810 1.562 0.816 1.00 0.00 C ATOM 718 C VAL A 47 -9.680 2.014 2.270 1.00 0.00 C ATOM 719 O VAL A 47 -8.576 2.092 2.811 1.00 0.00 O ATOM 720 CB VAL A 47 -10.149 2.766 -0.071 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.138 3.884 0.169 1.00 0.00 C ATOM 722 CG2 VAL A 47 -10.103 2.346 -1.540 1.00 0.00 C ATOM 0 H VAL A 47 -11.626 0.807 0.081 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.860 1.131 0.498 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.148 3.124 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.383 4.738 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.171 4.186 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.137 3.528 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.344 3.202 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.104 1.985 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.828 1.551 -1.714 1.00 0.00 H new ATOM 732 N GLU A 48 -10.813 2.304 2.896 1.00 0.00 N ATOM 733 CA GLU A 48 -10.812 2.747 4.286 1.00 0.00 C ATOM 734 C GLU A 48 -10.219 1.668 5.182 1.00 0.00 C ATOM 735 O GLU A 48 -9.379 1.951 6.034 1.00 0.00 O ATOM 736 CB GLU A 48 -12.239 3.061 4.736 1.00 0.00 C ATOM 737 CG GLU A 48 -12.772 4.271 3.963 1.00 0.00 C ATOM 738 CD GLU A 48 -11.988 5.521 4.346 1.00 0.00 C ATOM 739 OE1 GLU A 48 -11.374 5.512 5.401 1.00 0.00 O ATOM 740 OE2 GLU A 48 -12.013 6.472 3.581 1.00 0.00 O ATOM 0 H GLU A 48 -11.737 2.242 2.469 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.204 3.648 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.882 2.197 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.256 3.265 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.688 4.094 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.830 4.415 4.181 1.00 0.00 H new ATOM 747 N GLN A 49 -10.657 0.431 4.978 1.00 0.00 N ATOM 748 CA GLN A 49 -10.160 -0.685 5.772 1.00 0.00 C ATOM 749 C GLN A 49 -8.644 -0.773 5.678 1.00 0.00 C ATOM 750 O GLN A 49 -7.977 -1.130 6.644 1.00 0.00 O ATOM 751 CB GLN A 49 -10.782 -1.996 5.283 1.00 0.00 C ATOM 752 CG GLN A 49 -12.260 -2.051 5.680 1.00 0.00 C ATOM 753 CD GLN A 49 -12.388 -2.194 7.193 1.00 0.00 C ATOM 754 OE1 GLN A 49 -11.707 -3.022 7.798 1.00 0.00 O ATOM 755 NE2 GLN A 49 -13.226 -1.435 7.842 1.00 0.00 N ATOM 0 H GLN A 49 -11.350 0.177 4.274 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.440 -0.519 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.684 -2.074 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.249 -2.844 5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.768 -1.146 5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.747 -2.891 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.789 -0.750 7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.319 -1.526 8.854 1.00 0.00 H new ATOM 764 N MET A 50 -8.103 -0.447 4.516 1.00 0.00 N ATOM 765 CA MET A 50 -6.653 -0.478 4.326 1.00 0.00 C ATOM 766 C MET A 50 -5.980 0.687 5.059 1.00 0.00 C ATOM 767 O MET A 50 -4.934 0.515 5.687 1.00 0.00 O ATOM 768 CB MET A 50 -6.342 -0.372 2.841 1.00 0.00 C ATOM 769 CG MET A 50 -6.754 -1.660 2.137 1.00 0.00 C ATOM 770 SD MET A 50 -6.672 -1.413 0.345 1.00 0.00 S ATOM 771 CE MET A 50 -4.872 -1.454 0.175 1.00 0.00 C ATOM 0 H MET A 50 -8.635 -0.160 3.695 1.00 0.00 H new ATOM 0 HA MET A 50 -6.270 -1.415 4.731 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.872 0.476 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.277 -0.191 2.695 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.096 -2.477 2.434 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.765 -1.942 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.603 -1.335 -0.875 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.433 -0.643 0.756 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.494 -2.408 0.541 1.00 0.00 H new ATOM 781 N ILE A 51 -6.584 1.876 4.968 1.00 0.00 N ATOM 782 CA ILE A 51 -6.022 3.056 5.622 1.00 0.00 C ATOM 783 C ILE A 51 -6.076 2.923 7.138 1.00 0.00 C ATOM 784 O ILE A 51 -5.090 3.176 7.820 1.00 0.00 O ATOM 785 CB ILE A 51 -6.788 4.309 5.189 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.493 4.600 3.716 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.358 5.508 6.044 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.482 5.635 3.194 1.00 0.00 C ATOM 0 H ILE A 51 -7.450 2.044 4.455 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.978 3.143 5.321 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.856 4.141 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.473 4.968 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.567 3.683 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.908 6.395 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.571 5.302 7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.289 5.680 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.272 5.842 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.497 5.250 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.386 6.554 3.772 1.00 0.00 H new ATOM 800 N LYS A 52 -7.228 2.527 7.654 1.00 0.00 N ATOM 801 CA LYS A 52 -7.385 2.369 9.088 1.00 0.00 C ATOM 802 C LYS A 52 -6.528 1.210 9.591 1.00 0.00 C ATOM 803 O LYS A 52 -5.838 1.337 10.603 1.00 0.00 O ATOM 804 CB LYS A 52 -8.861 2.122 9.409 1.00 0.00 C ATOM 805 CG LYS A 52 -9.352 0.847 8.713 1.00 0.00 C ATOM 806 CD LYS A 52 -9.332 -0.357 9.676 1.00 0.00 C ATOM 807 CE LYS A 52 -10.628 -0.376 10.480 1.00 0.00 C ATOM 808 NZ LYS A 52 -10.588 -1.500 11.445 1.00 0.00 N ATOM 0 H LYS A 52 -8.061 2.311 7.106 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.055 3.278 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.995 2.031 10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.458 2.974 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.364 1.000 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.722 0.636 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.224 -1.285 9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.475 -0.288 10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.755 0.568 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.482 -0.485 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.470 -1.517 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.485 -2.397 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.781 -1.376 12.089 1.00 0.00 H new ATOM 822 N GLU A 53 -6.576 0.075 8.882 1.00 0.00 N ATOM 823 CA GLU A 53 -5.812 -1.082 9.273 1.00 0.00 C ATOM 824 C GLU A 53 -4.333 -0.749 9.257 1.00 0.00 C ATOM 825 O GLU A 53 -3.567 -1.257 10.072 1.00 0.00 O ATOM 826 CB GLU A 53 -6.106 -2.234 8.306 1.00 0.00 C ATOM 827 CG GLU A 53 -5.240 -3.434 8.644 1.00 0.00 C ATOM 828 CD GLU A 53 -5.561 -3.935 10.052 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.657 -3.670 10.518 1.00 0.00 O ATOM 830 OE2 GLU A 53 -4.703 -4.569 10.648 1.00 0.00 O ATOM 0 H GLU A 53 -7.138 -0.051 8.040 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.092 -1.382 10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.159 -2.508 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.916 -1.916 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.410 -4.230 7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.187 -3.162 8.578 1.00 0.00 H new ATOM 837 N ALA A 54 -3.936 0.098 8.315 1.00 0.00 N ATOM 838 CA ALA A 54 -2.534 0.483 8.198 1.00 0.00 C ATOM 839 C ALA A 54 -2.206 1.622 9.154 1.00 0.00 C ATOM 840 O ALA A 54 -1.170 1.608 9.818 1.00 0.00 O ATOM 841 CB ALA A 54 -2.232 0.919 6.761 1.00 0.00 C ATOM 0 H ALA A 54 -4.556 0.527 7.628 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.919 -0.379 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.183 1.205 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.436 0.093 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.861 1.769 6.499 1.00 0.00 H new ATOM 847 N ASP A 55 -3.093 2.604 9.215 1.00 0.00 N ATOM 848 CA ASP A 55 -2.891 3.752 10.090 1.00 0.00 C ATOM 849 C ASP A 55 -3.078 3.354 11.546 1.00 0.00 C ATOM 850 O ASP A 55 -4.091 2.758 11.908 1.00 0.00 O ATOM 851 CB ASP A 55 -3.885 4.857 9.741 1.00 0.00 C ATOM 852 CG ASP A 55 -3.590 5.406 8.354 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.211 4.627 7.496 1.00 0.00 O ATOM 854 OD2 ASP A 55 -3.737 6.602 8.175 1.00 0.00 O ATOM 0 H ASP A 55 -3.956 2.631 8.672 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.873 4.115 9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.902 4.467 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.824 5.658 10.478 1.00 0.00 H new ATOM 859 N LEU A 56 -2.097 3.689 12.380 1.00 0.00 N ATOM 860 CA LEU A 56 -2.164 3.366 13.807 1.00 0.00 C ATOM 861 C LEU A 56 -2.692 4.555 14.598 1.00 0.00 C ATOM 862 O LEU A 56 -2.958 4.439 15.791 1.00 0.00 O ATOM 863 CB LEU A 56 -0.767 2.984 14.321 1.00 0.00 C ATOM 864 CG LEU A 56 -0.461 1.535 13.941 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.542 1.370 12.420 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.943 1.172 14.427 1.00 0.00 C ATOM 0 H LEU A 56 -1.250 4.181 12.097 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.844 2.524 13.941 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.017 3.649 13.894 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.721 3.105 15.403 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.190 0.874 14.409 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.323 0.336 12.154 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.545 1.628 12.079 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.184 2.029 11.943 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.165 0.139 14.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.672 1.834 13.960 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.993 1.284 15.510 1.00 0.00 H new ATOM 878 N ASP A 57 -2.846 5.694 13.924 1.00 0.00 N ATOM 879 CA ASP A 57 -3.351 6.908 14.573 1.00 0.00 C ATOM 880 C ASP A 57 -4.692 7.313 13.977 1.00 0.00 C ATOM 881 O ASP A 57 -5.236 8.365 14.310 1.00 0.00 O ATOM 882 CB ASP A 57 -2.347 8.046 14.395 1.00 0.00 C ATOM 883 CG ASP A 57 -2.017 8.231 12.917 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.451 7.412 12.122 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.329 9.188 12.601 1.00 0.00 O ATOM 0 H ASP A 57 -2.630 5.804 12.933 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.486 6.704 15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.758 8.970 14.802 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.437 7.828 14.954 1.00 0.00 H new ATOM 890 N GLY A 58 -5.227 6.469 13.098 1.00 0.00 N ATOM 891 CA GLY A 58 -6.512 6.752 12.470 1.00 0.00 C ATOM 892 C GLY A 58 -6.581 8.202 12.003 1.00 0.00 C ATOM 893 O GLY A 58 -7.589 8.880 12.200 1.00 0.00 O ATOM 0 H GLY A 58 -4.795 5.592 12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.661 6.085 11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.318 6.554 13.177 1.00 0.00 H new ATOM 897 N ASP A 59 -5.500 8.673 11.385 1.00 0.00 N ATOM 898 CA ASP A 59 -5.449 10.047 10.893 1.00 0.00 C ATOM 899 C ASP A 59 -6.120 10.156 9.530 1.00 0.00 C ATOM 900 O ASP A 59 -6.449 11.251 9.077 1.00 0.00 O ATOM 901 CB ASP A 59 -3.995 10.508 10.790 1.00 0.00 C ATOM 902 CG ASP A 59 -3.176 9.481 10.018 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.774 8.656 9.350 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.960 9.535 10.110 1.00 0.00 O ATOM 0 H ASP A 59 -4.655 8.129 11.214 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.984 10.685 11.596 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.946 11.475 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.576 10.644 11.787 1.00 0.00 H new ATOM 909 N GLY A 60 -6.322 9.013 8.879 1.00 0.00 N ATOM 910 CA GLY A 60 -6.959 8.986 7.562 1.00 0.00 C ATOM 911 C GLY A 60 -5.918 9.032 6.450 1.00 0.00 C ATOM 912 O GLY A 60 -6.261 9.025 5.271 1.00 0.00 O ATOM 0 H GLY A 60 -6.056 8.096 9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.561 8.083 7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.638 9.834 7.465 1.00 0.00 H new ATOM 916 N GLN A 61 -4.644 9.081 6.835 1.00 0.00 N ATOM 917 CA GLN A 61 -3.547 9.130 5.861 1.00 0.00 C ATOM 918 C GLN A 61 -2.486 8.095 6.204 1.00 0.00 C ATOM 919 O GLN A 61 -2.048 7.995 7.349 1.00 0.00 O ATOM 920 CB GLN A 61 -2.926 10.526 5.853 1.00 0.00 C ATOM 921 CG GLN A 61 -2.705 11.004 7.289 1.00 0.00 C ATOM 922 CD GLN A 61 -2.081 12.395 7.281 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.615 13.312 6.656 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.976 12.609 7.941 1.00 0.00 N ATOM 0 H GLN A 61 -4.343 9.088 7.810 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.946 8.906 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.978 10.509 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.579 11.221 5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.654 11.024 7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.055 10.307 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.535 11.848 8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.553 13.537 7.940 1.00 0.00 H new ATOM 933 N VAL A 62 -2.075 7.323 5.203 1.00 0.00 N ATOM 934 CA VAL A 62 -1.064 6.292 5.417 1.00 0.00 C ATOM 935 C VAL A 62 0.335 6.891 5.298 1.00 0.00 C ATOM 936 O VAL A 62 0.678 7.503 4.280 1.00 0.00 O ATOM 937 CB VAL A 62 -1.232 5.178 4.380 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.509 3.917 4.850 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.719 4.882 4.183 1.00 0.00 C ATOM 0 H VAL A 62 -2.421 7.389 4.246 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.191 5.880 6.418 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.801 5.501 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.633 3.129 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.552 4.132 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.930 3.589 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.837 4.089 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.155 4.564 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.226 5.782 3.834 1.00 0.00 H new ATOM 949 N ASN A 63 1.134 6.707 6.346 1.00 0.00 N ATOM 950 CA ASN A 63 2.499 7.228 6.365 1.00 0.00 C ATOM 951 C ASN A 63 3.461 6.212 5.756 1.00 0.00 C ATOM 952 O ASN A 63 3.158 5.021 5.685 1.00 0.00 O ATOM 953 CB ASN A 63 2.919 7.537 7.804 1.00 0.00 C ATOM 954 CG ASN A 63 4.251 8.283 7.805 1.00 0.00 C ATOM 955 OD1 ASN A 63 4.276 9.509 7.913 1.00 0.00 O ATOM 956 ND2 ASN A 63 5.364 7.617 7.679 1.00 0.00 N ATOM 0 H ASN A 63 0.862 6.203 7.190 1.00 0.00 H new ATOM 0 HA ASN A 63 2.532 8.144 5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.154 8.139 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.010 6.612 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.256 8.112 7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.343 6.601 7.590 1.00 0.00 H new ATOM 963 N TYR A 64 4.612 6.693 5.304 1.00 0.00 N ATOM 964 CA TYR A 64 5.604 5.819 4.687 1.00 0.00 C ATOM 965 C TYR A 64 5.932 4.644 5.606 1.00 0.00 C ATOM 966 O TYR A 64 5.953 3.494 5.169 1.00 0.00 O ATOM 967 CB TYR A 64 6.884 6.608 4.402 1.00 0.00 C ATOM 968 CG TYR A 64 7.958 5.672 3.897 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.998 5.313 2.546 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.911 5.160 4.787 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.993 4.441 2.081 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.903 4.287 4.323 1.00 0.00 C ATOM 973 CZ TYR A 64 9.944 3.929 2.972 1.00 0.00 C ATOM 974 OH TYR A 64 10.921 3.069 2.515 1.00 0.00 O ATOM 0 H TYR A 64 4.881 7.676 5.352 1.00 0.00 H new ATOM 0 HA TYR A 64 5.191 5.435 3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.687 7.384 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.223 7.110 5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.262 5.707 1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.881 5.438 5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.026 4.165 1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.637 3.890 5.009 1.00 0.00 H new ATOM 0 HH TYR A 64 11.501 2.807 3.260 1.00 0.00 H new ATOM 984 N GLU A 65 6.193 4.936 6.874 1.00 0.00 N ATOM 985 CA GLU A 65 6.522 3.890 7.832 1.00 0.00 C ATOM 986 C GLU A 65 5.376 2.888 7.946 1.00 0.00 C ATOM 987 O GLU A 65 5.600 1.677 8.018 1.00 0.00 O ATOM 988 CB GLU A 65 6.804 4.517 9.202 1.00 0.00 C ATOM 989 CG GLU A 65 5.506 5.073 9.790 1.00 0.00 C ATOM 990 CD GLU A 65 5.809 5.957 10.994 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.570 5.526 11.844 1.00 0.00 O ATOM 992 OE2 GLU A 65 5.274 7.052 11.049 1.00 0.00 O ATOM 0 H GLU A 65 6.183 5.880 7.260 1.00 0.00 H new ATOM 0 HA GLU A 65 7.410 3.362 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.229 3.771 9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.541 5.314 9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.972 5.648 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.852 4.253 10.087 1.00 0.00 H new ATOM 999 N GLU A 66 4.149 3.399 7.960 1.00 0.00 N ATOM 1000 CA GLU A 66 2.977 2.540 8.066 1.00 0.00 C ATOM 1001 C GLU A 66 2.880 1.623 6.844 1.00 0.00 C ATOM 1002 O GLU A 66 2.464 0.467 6.939 1.00 0.00 O ATOM 1003 CB GLU A 66 1.711 3.395 8.177 1.00 0.00 C ATOM 1004 CG GLU A 66 1.706 4.128 9.521 1.00 0.00 C ATOM 1005 CD GLU A 66 0.518 5.082 9.594 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.220 5.158 8.624 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.363 5.724 10.618 1.00 0.00 O ATOM 0 H GLU A 66 3.942 4.396 7.900 1.00 0.00 H new ATOM 0 HA GLU A 66 3.073 1.925 8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.672 4.114 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.825 2.765 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.654 3.407 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.636 4.683 9.645 1.00 0.00 H new ATOM 1014 N PHE A 67 3.267 2.145 5.697 1.00 0.00 N ATOM 1015 CA PHE A 67 3.230 1.362 4.471 1.00 0.00 C ATOM 1016 C PHE A 67 4.271 0.246 4.504 1.00 0.00 C ATOM 1017 O PHE A 67 3.981 -0.892 4.132 1.00 0.00 O ATOM 1018 CB PHE A 67 3.490 2.261 3.267 1.00 0.00 C ATOM 1019 CG PHE A 67 3.532 1.423 2.008 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.354 0.866 1.498 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.750 1.201 1.350 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.393 0.094 0.331 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.786 0.427 0.185 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.607 -0.126 -0.324 1.00 0.00 C ATOM 0 H PHE A 67 3.608 3.100 5.585 1.00 0.00 H new ATOM 0 HA PHE A 67 2.240 0.915 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.707 3.015 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.433 2.792 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.415 1.032 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.661 1.628 1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.483 -0.332 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.725 0.257 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.635 -0.723 -1.223 1.00 0.00 H new ATOM 1034 N VAL A 68 5.485 0.583 4.928 1.00 0.00 N ATOM 1035 CA VAL A 68 6.565 -0.400 4.975 1.00 0.00 C ATOM 1036 C VAL A 68 6.235 -1.549 5.934 1.00 0.00 C ATOM 1037 O VAL A 68 6.321 -2.731 5.570 1.00 0.00 O ATOM 1038 CB VAL A 68 7.855 0.284 5.443 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.945 -0.770 5.670 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.323 1.287 4.387 1.00 0.00 C ATOM 0 H VAL A 68 5.745 1.518 5.241 1.00 0.00 H new ATOM 0 HA VAL A 68 6.691 -0.811 3.973 1.00 0.00 H new ATOM 0 HB VAL A 68 7.661 0.811 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.861 -0.281 6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.615 -1.477 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.136 -1.302 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.240 1.770 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.512 0.766 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.551 2.041 4.234 1.00 0.00 H new ATOM 1050 N LYS A 69 5.862 -1.202 7.162 1.00 0.00 N ATOM 1051 CA LYS A 69 5.544 -2.216 8.151 1.00 0.00 C ATOM 1052 C LYS A 69 4.383 -3.073 7.674 1.00 0.00 C ATOM 1053 O LYS A 69 4.381 -4.291 7.856 1.00 0.00 O ATOM 1054 CB LYS A 69 5.202 -1.546 9.487 1.00 0.00 C ATOM 1055 CG LYS A 69 3.838 -0.861 9.397 1.00 0.00 C ATOM 1056 CD LYS A 69 3.576 -0.052 10.664 1.00 0.00 C ATOM 1057 CE LYS A 69 3.631 -0.979 11.886 1.00 0.00 C ATOM 1058 NZ LYS A 69 5.038 -1.075 12.356 1.00 0.00 N ATOM 0 H LYS A 69 5.774 -0.240 7.489 1.00 0.00 H new ATOM 0 HA LYS A 69 6.411 -2.861 8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.192 -2.290 10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.969 -0.815 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.807 -0.207 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.055 -1.607 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.318 0.740 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.601 0.431 10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.994 -0.592 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.252 -1.968 11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.379 -2.050 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.634 -0.428 11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.087 -0.814 13.362 1.00 0.00 H new ATOM 1072 N MET A 70 3.392 -2.435 7.065 1.00 0.00 N ATOM 1073 CA MET A 70 2.239 -3.163 6.578 1.00 0.00 C ATOM 1074 C MET A 70 2.639 -4.131 5.479 1.00 0.00 C ATOM 1075 O MET A 70 2.156 -5.258 5.435 1.00 0.00 O ATOM 1076 CB MET A 70 1.178 -2.174 6.060 1.00 0.00 C ATOM 1077 CG MET A 70 0.351 -1.591 7.215 1.00 0.00 C ATOM 1078 SD MET A 70 -0.537 -2.902 8.107 1.00 0.00 S ATOM 1079 CE MET A 70 -1.521 -3.509 6.719 1.00 0.00 C ATOM 0 H MET A 70 3.367 -1.429 6.900 1.00 0.00 H new ATOM 0 HA MET A 70 1.817 -3.740 7.401 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.666 -1.366 5.515 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.518 -2.681 5.356 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.007 -1.058 7.903 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.362 -0.864 6.826 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.488 -3.857 7.083 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.672 -2.703 6.000 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.997 -4.333 6.235 1.00 0.00 H new ATOM 1089 N MET A 71 3.524 -3.693 4.603 1.00 0.00 N ATOM 1090 CA MET A 71 3.972 -4.533 3.516 1.00 0.00 C ATOM 1091 C MET A 71 4.676 -5.765 4.061 1.00 0.00 C ATOM 1092 O MET A 71 4.639 -6.834 3.450 1.00 0.00 O ATOM 1093 CB MET A 71 4.925 -3.749 2.617 1.00 0.00 C ATOM 1094 CG MET A 71 5.231 -4.566 1.367 1.00 0.00 C ATOM 1095 SD MET A 71 3.734 -4.681 0.359 1.00 0.00 S ATOM 1096 CE MET A 71 4.149 -3.408 -0.851 1.00 0.00 C ATOM 0 H MET A 71 3.944 -2.764 4.625 1.00 0.00 H new ATOM 0 HA MET A 71 3.106 -4.850 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.478 -2.794 2.340 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.847 -3.526 3.153 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.033 -4.097 0.798 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.576 -5.562 1.643 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.243 -2.882 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.850 -2.700 -0.409 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.605 -3.872 -1.725 1.00 0.00 H new ATOM 1106 N MET A 72 5.300 -5.611 5.220 1.00 0.00 N ATOM 1107 CA MET A 72 6.003 -6.732 5.854 1.00 0.00 C ATOM 1108 C MET A 72 5.039 -7.581 6.690 1.00 0.00 C ATOM 1109 O MET A 72 4.865 -8.776 6.442 1.00 0.00 O ATOM 1110 CB MET A 72 7.123 -6.214 6.746 1.00 0.00 C ATOM 1111 CG MET A 72 8.219 -5.617 5.868 1.00 0.00 C ATOM 1112 SD MET A 72 9.547 -4.977 6.917 1.00 0.00 S ATOM 1113 CE MET A 72 10.507 -4.182 5.605 1.00 0.00 C ATOM 0 H MET A 72 5.338 -4.735 5.740 1.00 0.00 H new ATOM 0 HA MET A 72 6.424 -7.354 5.064 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.739 -5.461 7.434 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.526 -7.024 7.353 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.610 -6.375 5.189 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.810 -4.817 5.251 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.504 -4.620 5.567 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.008 -4.332 4.647 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.588 -3.114 5.809 1.00 0.00 H new ATOM 1123 N THR A 73 4.417 -6.954 7.690 1.00 0.00 N ATOM 1124 CA THR A 73 3.481 -7.658 8.564 1.00 0.00 C ATOM 1125 C THR A 73 2.505 -8.494 7.746 1.00 0.00 C ATOM 1126 O THR A 73 2.048 -9.546 8.193 1.00 0.00 O ATOM 1127 CB THR A 73 2.706 -6.650 9.419 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.612 -5.970 10.281 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.653 -7.386 10.251 1.00 0.00 C ATOM 0 H THR A 73 4.544 -5.967 7.913 1.00 0.00 H new ATOM 0 HA THR A 73 4.050 -8.323 9.213 1.00 0.00 H new ATOM 0 HB THR A 73 2.209 -5.927 8.772 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.089 -5.279 9.775 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.102 -6.668 10.859 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.962 -7.905 9.587 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.144 -8.110 10.901 1.00 0.00 H new ATOM 1137 N VAL A 74 2.192 -8.024 6.550 1.00 0.00 N ATOM 1138 CA VAL A 74 1.273 -8.741 5.674 1.00 0.00 C ATOM 1139 C VAL A 74 1.758 -10.168 5.452 1.00 0.00 C ATOM 1140 O VAL A 74 1.047 -10.980 4.861 1.00 0.00 O ATOM 1141 CB VAL A 74 1.128 -7.994 4.333 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.542 -8.933 3.261 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.183 -6.774 4.517 1.00 0.00 C ATOM 0 H VAL A 74 2.557 -7.154 6.163 1.00 0.00 H new ATOM 0 HA VAL A 74 0.293 -8.786 6.149 1.00 0.00 H new ATOM 0 HB VAL A 74 2.112 -7.654 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.445 -8.394 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.205 -9.787 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.439 -9.284 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.081 -6.246 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.797 -7.119 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.601 -6.099 5.264 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.193 -7.611 6.339 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.008 -6.820 5.136 1.00 0.00 C ATOM 1207 C GLY A 80 -5.675 -7.482 3.937 1.00 0.00 C ATOM 1208 O GLY A 80 -5.021 -8.172 3.154 1.00 0.00 O ATOM 0 HA2 GLY A 80 -5.425 -5.824 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.943 -6.694 4.940 1.00 0.00 H new ATOM 1212 N ASN A 81 -6.979 -7.264 3.789 1.00 0.00 N ATOM 1213 CA ASN A 81 -7.710 -7.850 2.678 1.00 0.00 C ATOM 1214 C ASN A 81 -7.352 -7.119 1.381 1.00 0.00 C ATOM 1215 O ASN A 81 -7.050 -7.737 0.355 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.221 -7.738 2.942 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.002 -8.357 1.788 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.435 -8.631 0.733 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.279 -8.591 1.927 1.00 0.00 N ATOM 0 H ASN A 81 -7.543 -6.692 4.418 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.439 -8.901 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.474 -8.243 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.501 -6.691 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.809 -9.002 1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.747 -8.362 2.804 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.342 -5.793 1.444 1.00 0.00 N ATOM 1227 CA GLY A 82 -6.990 -4.998 0.278 1.00 0.00 C ATOM 1228 C GLY A 82 -5.488 -5.053 0.015 1.00 0.00 C ATOM 1229 O GLY A 82 -5.044 -5.141 -1.132 1.00 0.00 O ATOM 0 H GLY A 82 -7.570 -5.253 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.530 -5.366 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.299 -3.964 0.431 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.710 -5.009 1.092 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.258 -5.056 0.968 1.00 0.00 C ATOM 1235 C TRP A 83 -2.845 -6.372 0.319 1.00 0.00 C ATOM 1236 O TRP A 83 -1.984 -6.401 -0.561 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.607 -4.913 2.348 1.00 0.00 C ATOM 1238 CG TRP A 83 -2.884 -3.553 2.895 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.624 -3.301 3.997 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.450 -2.258 2.388 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.667 -1.934 4.204 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -2.961 -1.248 3.239 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.671 -1.867 1.284 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.708 0.104 3.004 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.417 -0.508 1.044 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.934 0.475 1.900 1.00 0.00 C ATOM 0 H TRP A 83 -5.055 -4.942 2.049 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.922 -4.230 0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.995 -5.674 3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.531 -5.073 2.272 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.104 -4.045 4.615 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.161 -1.488 4.977 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.267 -2.616 0.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.106 0.857 3.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.819 -0.217 0.193 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.734 1.519 1.707 1.00 0.00 H new ATOM 1257 N SER A 84 -3.479 -7.461 0.752 1.00 0.00 N ATOM 1258 CA SER A 84 -3.188 -8.778 0.200 1.00 0.00 C ATOM 1259 C SER A 84 -3.529 -8.806 -1.291 1.00 0.00 C ATOM 1260 O SER A 84 -2.793 -9.380 -2.106 1.00 0.00 O ATOM 1261 CB SER A 84 -3.990 -9.850 0.944 1.00 0.00 C ATOM 1262 OG SER A 84 -3.543 -9.918 2.293 1.00 0.00 O ATOM 0 H SER A 84 -4.194 -7.455 1.480 1.00 0.00 H new ATOM 0 HA SER A 84 -2.125 -8.986 0.324 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.053 -9.613 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.865 -10.817 0.458 1.00 0.00 H new ATOM 0 HG SER A 84 -3.818 -9.107 2.770 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.637 -8.153 -1.648 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.037 -8.095 -3.050 1.00 0.00 C ATOM 1270 C ARG A 85 -3.972 -7.392 -3.878 1.00 0.00 C ATOM 1271 O ARG A 85 -3.630 -7.834 -4.976 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.384 -7.368 -3.179 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.511 -8.303 -2.739 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.840 -7.554 -2.788 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.926 -8.429 -2.362 1.00 0.00 N ATOM 1276 CZ ARG A 85 -10.508 -9.269 -3.212 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -10.106 -9.323 -4.452 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -11.478 -10.041 -2.807 1.00 0.00 N ATOM 0 H ARG A 85 -5.259 -7.668 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.147 -9.112 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.384 -6.467 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.541 -7.051 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.549 -9.176 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.323 -8.667 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.796 -6.677 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.027 -7.196 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.245 -8.396 -1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.346 -8.721 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.552 -9.967 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.791 -10.001 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.924 -10.685 -3.460 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.443 -6.301 -3.346 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.409 -5.559 -4.051 1.00 0.00 C ATOM 1294 C LEU A 86 -1.114 -6.362 -4.090 1.00 0.00 C ATOM 1295 O LEU A 86 -0.431 -6.417 -5.113 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.166 -4.205 -3.369 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.056 -3.431 -4.102 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -1.451 -3.209 -5.579 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.843 -2.083 -3.412 1.00 0.00 C ATOM 0 H LEU A 86 -3.708 -5.913 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.745 -5.384 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.086 -3.621 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.884 -4.360 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.131 -4.007 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.659 -2.660 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.596 -4.173 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.377 -2.636 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.057 -1.531 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.769 -1.509 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.550 -2.247 -2.375 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.783 -6.971 -2.960 1.00 0.00 N ATOM 1312 CA ARG A 87 0.438 -7.755 -2.851 1.00 0.00 C ATOM 1313 C ARG A 87 0.369 -8.971 -3.763 1.00 0.00 C ATOM 1314 O ARG A 87 1.388 -9.602 -4.054 1.00 0.00 O ATOM 1315 CB ARG A 87 0.647 -8.218 -1.400 1.00 0.00 C ATOM 1316 CG ARG A 87 2.137 -8.569 -1.179 1.00 0.00 C ATOM 1317 CD ARG A 87 2.954 -7.295 -0.859 1.00 0.00 C ATOM 1318 NE ARG A 87 4.192 -7.285 -1.642 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.310 -6.568 -2.766 1.00 0.00 C ATOM 1320 NH1 ARG A 87 3.308 -5.856 -3.209 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.434 -6.572 -3.431 1.00 0.00 N ATOM 0 H ARG A 87 -1.342 -6.937 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 87 1.276 -7.126 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.341 -7.432 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.023 -9.087 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.231 -9.283 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.539 -9.051 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.363 -6.407 -1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.187 -7.260 0.205 1.00 0.00 H new ATOM 0 HE ARG A 87 4.986 -7.840 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.426 -5.843 -2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.408 -5.313 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.224 -7.122 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.522 -6.025 -4.287 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.835 -9.287 -4.217 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.030 -10.424 -5.113 1.00 0.00 C ATOM 1337 C ARG A 88 -0.821 -10.012 -6.570 1.00 0.00 C ATOM 1338 O ARG A 88 -0.239 -10.757 -7.360 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.437 -10.984 -4.935 1.00 0.00 C ATOM 1340 CG ARG A 88 -2.597 -12.241 -5.793 1.00 0.00 C ATOM 1341 CD ARG A 88 -3.979 -12.843 -5.553 1.00 0.00 C ATOM 1342 NE ARG A 88 -5.014 -11.934 -6.030 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.301 -12.186 -5.815 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -6.655 -13.260 -5.164 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -7.210 -11.358 -6.253 1.00 0.00 N ATOM 0 H ARG A 88 -1.688 -8.778 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.296 -11.190 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.616 -11.221 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.177 -10.237 -5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.474 -11.994 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.823 -12.967 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.061 -13.801 -6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.119 -13.039 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.746 -11.091 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.944 -13.906 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.643 -13.454 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.932 -10.518 -6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.198 -11.551 -6.088 1.00 0.00 H new