USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0.949 (180deg=0.94) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0.857 (180deg=0.857) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 159:sc= 0.0245 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 43 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= 0.422 (180deg=0.0546) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.553 1.557 -0.300 1.00 0.00 N ATOM 71 CA TRP A 6 13.375 1.250 1.115 1.00 0.00 C ATOM 72 C TRP A 6 12.318 2.148 1.744 1.00 0.00 C ATOM 73 O TRP A 6 11.514 1.698 2.562 1.00 0.00 O ATOM 74 CB TRP A 6 14.702 1.397 1.862 1.00 0.00 C ATOM 75 CG TRP A 6 15.699 0.331 1.528 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.444 -0.863 0.920 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.109 0.360 1.780 1.00 0.00 C ATOM 78 NE1 TRP A 6 16.606 -1.580 0.780 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.644 -0.848 1.299 1.00 0.00 C ATOM 80 CE3 TRP A 6 17.971 1.295 2.367 1.00 0.00 C ATOM 81 CZ2 TRP A 6 18.993 -1.150 1.387 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.326 0.992 2.453 1.00 0.00 C ATOM 83 CH2 TRP A 6 19.822 -0.194 1.977 1.00 0.00 C ATOM 0 HA TRP A 6 13.035 0.217 1.194 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.133 2.371 1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.509 1.379 2.935 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.469 -1.196 0.596 1.00 0.00 H new ATOM 0 HE1 TRP A 6 16.685 -2.506 0.359 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.591 2.233 2.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.386 -2.085 1.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.000 1.705 2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 6 20.880 -0.394 2.060 1.00 0.00 H new ATOM 94 N LEU A 7 12.322 3.419 1.359 1.00 0.00 N ATOM 95 CA LEU A 7 11.262 4.341 1.747 1.00 0.00 C ATOM 96 C LEU A 7 9.920 3.914 1.166 1.00 0.00 C ATOM 97 O LEU A 7 8.902 3.922 1.859 1.00 0.00 O ATOM 98 CB LEU A 7 11.609 5.767 1.299 1.00 0.00 C ATOM 99 CG LEU A 7 12.913 6.334 1.873 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.371 7.529 1.049 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.698 6.731 3.326 1.00 0.00 C ATOM 0 H LEU A 7 13.049 3.835 0.777 1.00 0.00 H new ATOM 0 HA LEU A 7 11.178 4.322 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.673 5.783 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.789 6.428 1.580 1.00 0.00 H new ATOM 0 HG LEU A 7 13.691 5.572 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.298 7.924 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.540 7.217 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.604 8.303 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.625 7.134 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.916 7.488 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.399 5.855 3.902 1.00 0.00 H new ATOM 113 N LEU A 8 9.925 3.542 -0.109 1.00 0.00 N ATOM 114 CA LEU A 8 8.748 2.957 -0.740 1.00 0.00 C ATOM 115 C LEU A 8 8.288 1.709 -0.001 1.00 0.00 C ATOM 116 O LEU A 8 7.091 1.497 0.196 1.00 0.00 O ATOM 117 CB LEU A 8 9.043 2.629 -2.210 1.00 0.00 C ATOM 118 CG LEU A 8 7.834 2.158 -3.029 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.193 0.902 -3.813 1.00 0.00 C ATOM 120 CD2 LEU A 8 6.660 1.895 -2.098 1.00 0.00 C ATOM 0 H LEU A 8 10.732 3.635 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 8 7.942 3.689 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.462 3.515 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.810 1.855 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 8 7.551 2.935 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.329 0.575 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.021 1.119 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.486 0.113 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.802 1.560 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.933 1.124 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.404 2.812 -1.568 1.00 0.00 H new ATOM 132 N LYS A 9 9.245 0.883 0.410 1.00 0.00 N ATOM 133 CA LYS A 9 8.948 -0.299 1.211 1.00 0.00 C ATOM 134 C LYS A 9 8.267 0.080 2.519 1.00 0.00 C ATOM 135 O LYS A 9 7.380 -0.628 2.996 1.00 0.00 O ATOM 136 CB LYS A 9 10.225 -1.091 1.492 1.00 0.00 C ATOM 137 CG LYS A 9 9.997 -2.424 2.192 1.00 0.00 C ATOM 138 CD LYS A 9 10.268 -2.319 3.686 1.00 0.00 C ATOM 139 CE LYS A 9 11.697 -1.876 3.961 1.00 0.00 C ATOM 140 NZ LYS A 9 11.956 -1.703 5.416 1.00 0.00 N ATOM 0 H LYS A 9 10.235 1.011 0.201 1.00 0.00 H new ATOM 0 HA LYS A 9 8.263 -0.926 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.740 -1.273 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.889 -0.481 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.970 -2.752 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.647 -3.182 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.573 -1.609 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.087 -3.284 4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.390 -2.613 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.891 -0.936 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.925 -1.352 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.279 -1.019 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.845 -2.617 5.899 1.00 0.00 H new ATOM 154 N GLU A 10 8.686 1.202 3.096 1.00 0.00 N ATOM 155 CA GLU A 10 8.072 1.711 4.317 1.00 0.00 C ATOM 156 C GLU A 10 6.694 2.296 4.037 1.00 0.00 C ATOM 157 O GLU A 10 5.782 2.180 4.856 1.00 0.00 O ATOM 158 CB GLU A 10 8.969 2.766 4.968 1.00 0.00 C ATOM 159 CG GLU A 10 10.199 2.201 5.666 1.00 0.00 C ATOM 160 CD GLU A 10 9.814 1.293 6.800 1.00 0.00 C ATOM 161 OE1 GLU A 10 9.046 1.709 7.635 1.00 0.00 O ATOM 162 OE2 GLU A 10 10.197 0.148 6.773 1.00 0.00 O ATOM 0 H GLU A 10 9.449 1.776 2.737 1.00 0.00 H new ATOM 0 HA GLU A 10 7.954 0.874 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.292 3.472 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.381 3.328 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.807 1.651 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.813 3.018 6.044 1.00 0.00 H new ATOM 169 N ALA A 11 6.548 2.926 2.877 1.00 0.00 N ATOM 170 CA ALA A 11 5.273 3.508 2.475 1.00 0.00 C ATOM 171 C ALA A 11 4.214 2.430 2.277 1.00 0.00 C ATOM 172 O ALA A 11 3.039 2.637 2.580 1.00 0.00 O ATOM 173 CB ALA A 11 5.441 4.330 1.206 1.00 0.00 C ATOM 0 H ALA A 11 7.299 3.047 2.197 1.00 0.00 H new ATOM 0 HA ALA A 11 4.936 4.166 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.480 4.757 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.156 5.133 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.807 3.690 0.403 1.00 0.00 H new ATOM 179 N LYS A 12 4.637 1.279 1.766 1.00 0.00 N ATOM 180 CA LYS A 12 3.735 0.153 1.564 1.00 0.00 C ATOM 181 C LYS A 12 3.092 -0.280 2.875 1.00 0.00 C ATOM 182 O LYS A 12 1.879 -0.472 2.950 1.00 0.00 O ATOM 183 CB LYS A 12 4.478 -1.023 0.930 1.00 0.00 C ATOM 184 CG LYS A 12 4.904 -0.794 -0.515 1.00 0.00 C ATOM 185 CD LYS A 12 5.975 -1.786 -0.941 1.00 0.00 C ATOM 186 CE LYS A 12 6.339 -1.614 -2.409 1.00 0.00 C ATOM 187 NZ LYS A 12 7.412 -2.554 -2.831 1.00 0.00 N ATOM 0 H LYS A 12 5.601 1.102 1.484 1.00 0.00 H new ATOM 0 HA LYS A 12 2.945 0.478 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.364 -1.241 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.840 -1.905 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.038 -0.887 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.281 0.222 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.864 -1.650 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.621 -2.802 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.453 -1.775 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.666 -0.589 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.630 -2.404 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.266 -2.383 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.091 -3.533 -2.689 1.00 0.00 H new ATOM 201 N GLU A 13 3.914 -0.435 3.909 1.00 0.00 N ATOM 202 CA GLU A 13 3.429 -0.858 5.217 1.00 0.00 C ATOM 203 C GLU A 13 2.592 0.233 5.874 1.00 0.00 C ATOM 204 O GLU A 13 1.545 -0.043 6.459 1.00 0.00 O ATOM 205 CB GLU A 13 4.600 -1.240 6.124 1.00 0.00 C ATOM 206 CG GLU A 13 5.315 -2.522 5.721 1.00 0.00 C ATOM 207 CD GLU A 13 6.499 -2.789 6.609 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.779 -1.974 7.454 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.055 -3.858 6.517 1.00 0.00 O ATOM 0 H GLU A 13 4.920 -0.274 3.865 1.00 0.00 H new ATOM 0 HA GLU A 13 2.794 -1.732 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.321 -0.423 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.233 -1.348 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.621 -3.361 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.644 -2.447 4.685 1.00 0.00 H new ATOM 216 N LYS A 14 3.060 1.472 5.772 1.00 0.00 N ATOM 217 CA LYS A 14 2.423 2.590 6.457 1.00 0.00 C ATOM 218 C LYS A 14 1.043 2.876 5.881 1.00 0.00 C ATOM 219 O LYS A 14 0.122 3.253 6.605 1.00 0.00 O ATOM 220 CB LYS A 14 3.299 3.841 6.370 1.00 0.00 C ATOM 221 CG LYS A 14 4.524 3.816 7.276 1.00 0.00 C ATOM 222 CD LYS A 14 5.303 5.119 7.189 1.00 0.00 C ATOM 223 CE LYS A 14 4.414 6.318 7.487 1.00 0.00 C ATOM 224 NZ LYS A 14 4.170 6.481 8.945 1.00 0.00 N ATOM 0 H LYS A 14 3.879 1.727 5.221 1.00 0.00 H new ATOM 0 HA LYS A 14 2.304 2.314 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.628 3.969 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.694 4.712 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.213 3.644 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.170 2.984 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.134 5.096 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.733 5.222 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.880 7.222 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.461 6.200 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.561 7.308 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.702 5.630 9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.077 6.619 9.435 1.00 0.00 H new ATOM 238 N ALA A 15 0.905 2.694 4.572 1.00 0.00 N ATOM 239 CA ALA A 15 -0.318 3.067 3.870 1.00 0.00 C ATOM 240 C ALA A 15 -1.472 2.150 4.252 1.00 0.00 C ATOM 241 O ALA A 15 -2.588 2.609 4.497 1.00 0.00 O ATOM 242 CB ALA A 15 -0.094 3.045 2.365 1.00 0.00 C ATOM 0 H ALA A 15 1.626 2.290 3.975 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.583 4.081 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.016 3.326 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.694 3.751 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.201 2.042 2.056 1.00 0.00 H new ATOM 248 N ILE A 16 -1.199 0.851 4.299 1.00 0.00 N ATOM 249 CA ILE A 16 -2.242 -0.145 4.515 1.00 0.00 C ATOM 250 C ILE A 16 -2.729 -0.129 5.958 1.00 0.00 C ATOM 251 O ILE A 16 -3.852 -0.541 6.249 1.00 0.00 O ATOM 252 CB ILE A 16 -1.752 -1.563 4.164 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.196 -1.597 2.738 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.879 -2.570 4.325 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.053 -0.863 1.731 1.00 0.00 C ATOM 0 H ILE A 16 -0.262 0.462 4.190 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.068 0.117 3.854 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.951 -1.834 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.197 -1.161 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.091 -2.635 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.516 -3.566 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.229 -2.562 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.701 -2.305 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.594 -0.931 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.046 -1.312 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.137 0.185 2.020 1.00 0.00 H new ATOM 267 N GLU A 17 -1.877 0.350 6.860 1.00 0.00 N ATOM 268 CA GLU A 17 -2.239 0.471 8.267 1.00 0.00 C ATOM 269 C GLU A 17 -3.577 1.182 8.430 1.00 0.00 C ATOM 270 O GLU A 17 -4.363 0.849 9.319 1.00 0.00 O ATOM 271 CB GLU A 17 -1.150 1.220 9.037 1.00 0.00 C ATOM 272 CG GLU A 17 -1.381 1.294 10.539 1.00 0.00 C ATOM 273 CD GLU A 17 -0.224 1.954 11.238 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.710 2.330 10.573 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.323 2.183 12.421 1.00 0.00 O ATOM 0 H GLU A 17 -0.931 0.661 6.640 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.334 -0.535 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.192 0.734 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.075 2.233 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.296 1.850 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.524 0.289 10.937 1.00 0.00 H new ATOM 282 N GLU A 18 -3.832 2.161 7.570 1.00 0.00 N ATOM 283 CA GLU A 18 -5.114 2.856 7.556 1.00 0.00 C ATOM 284 C GLU A 18 -6.243 1.921 7.146 1.00 0.00 C ATOM 285 O GLU A 18 -7.348 1.993 7.683 1.00 0.00 O ATOM 286 CB GLU A 18 -5.060 4.061 6.615 1.00 0.00 C ATOM 287 CG GLU A 18 -4.100 5.159 7.051 1.00 0.00 C ATOM 288 CD GLU A 18 -4.461 5.689 8.412 1.00 0.00 C ATOM 289 OE1 GLU A 18 -5.593 6.065 8.602 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.637 5.615 9.293 1.00 0.00 O ATOM 0 H GLU A 18 -3.166 2.492 6.872 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.314 3.207 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.772 3.718 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.061 4.484 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.082 4.770 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.119 5.972 6.325 1.00 0.00 H new ATOM 297 N LEU A 19 -5.959 1.041 6.190 1.00 0.00 N ATOM 298 CA LEU A 19 -6.925 0.038 5.760 1.00 0.00 C ATOM 299 C LEU A 19 -7.245 -0.937 6.886 1.00 0.00 C ATOM 300 O LEU A 19 -8.386 -1.377 7.033 1.00 0.00 O ATOM 301 CB LEU A 19 -6.395 -0.718 4.534 1.00 0.00 C ATOM 302 CG LEU A 19 -6.841 -0.155 3.178 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.803 1.367 3.206 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.938 -0.698 2.081 1.00 0.00 C ATOM 0 H LEU A 19 -5.066 1.003 5.698 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.847 0.551 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.306 -0.717 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.716 -1.758 4.601 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.866 -0.466 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.121 1.757 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.473 1.733 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.787 1.702 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.255 -0.298 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.908 -0.400 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.003 -1.786 2.061 1.00 0.00 H new ATOM 316 N LYS A 20 -6.233 -1.272 7.677 1.00 0.00 N ATOM 317 CA LYS A 20 -6.428 -2.094 8.866 1.00 0.00 C ATOM 318 C LYS A 20 -7.349 -1.407 9.866 1.00 0.00 C ATOM 319 O LYS A 20 -8.171 -2.055 10.513 1.00 0.00 O ATOM 320 CB LYS A 20 -5.084 -2.415 9.522 1.00 0.00 C ATOM 321 CG LYS A 20 -4.133 -3.223 8.648 1.00 0.00 C ATOM 322 CD LYS A 20 -2.880 -3.619 9.414 1.00 0.00 C ATOM 323 CE LYS A 20 -1.885 -4.336 8.515 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.622 -4.666 9.231 1.00 0.00 N ATOM 0 H LYS A 20 -5.267 -0.987 7.517 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.900 -3.025 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.597 -1.480 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.266 -2.966 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.639 -4.118 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.856 -2.638 7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.414 -2.729 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.151 -4.266 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.336 -5.252 8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.659 -3.709 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.028 -5.154 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.178 -3.790 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.833 -5.285 10.040 1.00 0.00 H new ATOM 338 N LYS A 21 -7.206 -0.091 9.987 1.00 0.00 N ATOM 339 CA LYS A 21 -8.116 0.706 10.801 1.00 0.00 C ATOM 340 C LYS A 21 -9.523 0.704 10.217 1.00 0.00 C ATOM 341 O LYS A 21 -10.508 0.813 10.948 1.00 0.00 O ATOM 342 CB LYS A 21 -7.601 2.140 10.930 1.00 0.00 C ATOM 343 CG LYS A 21 -6.331 2.282 11.758 1.00 0.00 C ATOM 344 CD LYS A 21 -5.815 3.713 11.742 1.00 0.00 C ATOM 345 CE LYS A 21 -4.433 3.812 12.369 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.830 5.159 12.179 1.00 0.00 N ATOM 0 H LYS A 21 -6.468 0.446 9.531 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.159 0.255 11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.415 2.537 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.382 2.754 11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.529 1.976 12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.564 1.613 11.368 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.777 4.076 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.508 4.357 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.502 3.593 13.434 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.781 3.057 11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.889 5.184 12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.740 5.359 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.439 5.877 12.621 1.00 0.00 H new ATOM 360 N ALA A 22 -9.610 0.580 8.898 1.00 0.00 N ATOM 361 CA ALA A 22 -10.889 0.669 8.203 1.00 0.00 C ATOM 362 C ALA A 22 -11.605 -0.675 8.193 1.00 0.00 C ATOM 363 O ALA A 22 -12.757 -0.772 7.768 1.00 0.00 O ATOM 364 CB ALA A 22 -10.686 1.177 6.783 1.00 0.00 C ATOM 0 H ALA A 22 -8.809 0.417 8.287 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.517 1.378 8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.650 1.238 6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.228 2.166 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.034 0.492 6.241 1.00 0.00 H new ATOM 370 N GLY A 23 -10.918 -1.709 8.662 1.00 0.00 N ATOM 371 CA GLY A 23 -11.510 -3.037 8.771 1.00 0.00 C ATOM 372 C GLY A 23 -11.320 -3.832 7.485 1.00 0.00 C ATOM 373 O GLY A 23 -12.034 -4.802 7.231 1.00 0.00 O ATOM 0 H GLY A 23 -9.948 -1.654 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.055 -3.573 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.573 -2.947 8.992 1.00 0.00 H new ATOM 377 N ILE A 24 -10.352 -3.416 6.676 1.00 0.00 N ATOM 378 CA ILE A 24 -10.045 -4.106 5.429 1.00 0.00 C ATOM 379 C ILE A 24 -9.153 -5.316 5.676 1.00 0.00 C ATOM 380 O ILE A 24 -8.089 -5.202 6.284 1.00 0.00 O ATOM 381 CB ILE A 24 -9.357 -3.171 4.419 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.238 -1.952 4.135 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.043 -3.917 3.131 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.569 -2.294 3.506 1.00 0.00 C ATOM 0 H ILE A 24 -9.765 -2.603 6.862 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.996 -4.438 5.011 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.418 -2.824 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.415 -1.418 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.699 -1.272 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.557 -3.241 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.379 -4.754 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.968 -4.292 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.136 -1.379 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.403 -2.801 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.129 -2.949 4.173 1.00 0.00 H new ATOM 396 N THR A 25 -9.593 -6.477 5.201 1.00 0.00 N ATOM 397 CA THR A 25 -8.895 -7.729 5.468 1.00 0.00 C ATOM 398 C THR A 25 -8.483 -8.417 4.173 1.00 0.00 C ATOM 399 O THR A 25 -7.970 -9.535 4.189 1.00 0.00 O ATOM 400 CB THR A 25 -9.762 -8.695 6.297 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.979 -8.974 5.591 1.00 0.00 O ATOM 402 CG2 THR A 25 -10.093 -8.085 7.651 1.00 0.00 C ATOM 0 H THR A 25 -10.431 -6.576 4.628 1.00 0.00 H new ATOM 0 HA THR A 25 -8.003 -7.474 6.041 1.00 0.00 H new ATOM 0 HB THR A 25 -9.205 -9.619 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.529 -9.590 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.706 -8.781 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.170 -7.883 8.194 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.640 -7.154 7.506 1.00 0.00 H new ATOM 410 N SER A 26 -8.712 -7.742 3.052 1.00 0.00 N ATOM 411 CA SER A 26 -8.425 -8.312 1.742 1.00 0.00 C ATOM 412 C SER A 26 -6.927 -8.338 1.467 1.00 0.00 C ATOM 413 O SER A 26 -6.316 -7.302 1.205 1.00 0.00 O ATOM 414 CB SER A 26 -9.146 -7.530 0.661 1.00 0.00 C ATOM 415 OG SER A 26 -8.828 -7.989 -0.624 1.00 0.00 O ATOM 0 H SER A 26 -9.096 -6.798 3.025 1.00 0.00 H new ATOM 0 HA SER A 26 -8.785 -9.341 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.222 -7.606 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.886 -6.475 0.743 1.00 0.00 H new ATOM 0 HG SER A 26 -9.529 -7.716 -1.252 1.00 0.00 H new ATOM 421 N ASP A 27 -6.339 -9.529 1.531 1.00 0.00 N ATOM 422 CA ASP A 27 -4.921 -9.699 1.239 1.00 0.00 C ATOM 423 C ASP A 27 -4.640 -9.534 -0.249 1.00 0.00 C ATOM 424 O ASP A 27 -3.526 -9.195 -0.646 1.00 0.00 O ATOM 425 CB ASP A 27 -4.436 -11.070 1.717 1.00 0.00 C ATOM 426 CG ASP A 27 -4.312 -11.202 3.230 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.363 -10.197 3.900 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.326 -12.308 3.712 1.00 0.00 O ATOM 0 H ASP A 27 -6.824 -10.391 1.783 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.376 -8.923 1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.125 -11.832 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.465 -11.276 1.266 1.00 0.00 H new ATOM 433 N TYR A 28 -5.658 -9.777 -1.067 1.00 0.00 N ATOM 434 CA TYR A 28 -5.534 -9.617 -2.512 1.00 0.00 C ATOM 435 C TYR A 28 -5.053 -8.218 -2.872 1.00 0.00 C ATOM 436 O TYR A 28 -4.030 -8.054 -3.538 1.00 0.00 O ATOM 437 CB TYR A 28 -6.870 -9.905 -3.199 1.00 0.00 C ATOM 438 CG TYR A 28 -6.858 -9.660 -4.692 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.336 -10.603 -5.564 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.370 -8.486 -5.223 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.322 -10.384 -6.928 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.362 -8.256 -6.585 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.836 -9.207 -7.435 1.00 0.00 C ATOM 444 OH TYR A 28 -6.827 -8.984 -8.793 1.00 0.00 O ATOM 0 H TYR A 28 -6.579 -10.086 -0.755 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.792 -10.334 -2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.146 -10.943 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.642 -9.284 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.933 -11.525 -5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.782 -7.739 -4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.912 -11.129 -7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.765 -7.336 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.226 -8.109 -8.984 1.00 0.00 H new ATOM 454 N TYR A 29 -5.795 -7.209 -2.427 1.00 0.00 N ATOM 455 CA TYR A 29 -5.477 -5.823 -2.747 1.00 0.00 C ATOM 456 C TYR A 29 -4.225 -5.362 -2.010 1.00 0.00 C ATOM 457 O TYR A 29 -3.495 -4.495 -2.492 1.00 0.00 O ATOM 458 CB TYR A 29 -6.655 -4.909 -2.402 1.00 0.00 C ATOM 459 CG TYR A 29 -7.863 -5.105 -3.292 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.813 -4.779 -4.639 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.049 -5.612 -2.782 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.912 -4.955 -5.457 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.154 -5.792 -3.591 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.082 -5.462 -4.929 1.00 0.00 C ATOM 465 OH TYR A 29 -11.180 -5.638 -5.739 1.00 0.00 O ATOM 0 H TYR A 29 -6.623 -7.326 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.285 -5.764 -3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.947 -5.083 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.329 -3.871 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.899 -4.381 -5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.110 -5.870 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.856 -4.697 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.070 -6.189 -3.178 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.920 -6.004 -5.212 1.00 0.00 H new ATOM 475 N PHE A 30 -3.983 -5.945 -0.842 1.00 0.00 N ATOM 476 CA PHE A 30 -2.740 -5.719 -0.115 1.00 0.00 C ATOM 477 C PHE A 30 -1.538 -6.205 -0.916 1.00 0.00 C ATOM 478 O PHE A 30 -0.436 -5.675 -0.780 1.00 0.00 O ATOM 479 CB PHE A 30 -2.782 -6.416 1.246 1.00 0.00 C ATOM 480 CG PHE A 30 -3.789 -5.831 2.195 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.702 -4.882 1.763 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.824 -6.230 3.523 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.629 -4.342 2.634 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.751 -5.693 4.398 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.653 -4.749 3.953 1.00 0.00 C ATOM 0 H PHE A 30 -4.633 -6.579 -0.377 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.634 -4.645 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.008 -7.472 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.793 -6.363 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.689 -4.560 0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.120 -6.968 3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.334 -3.603 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.769 -6.013 5.429 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.377 -4.329 4.635 1.00 0.00 H new ATOM 495 N ASP A 31 -1.758 -7.215 -1.749 1.00 0.00 N ATOM 496 CA ASP A 31 -0.709 -7.732 -2.620 1.00 0.00 C ATOM 497 C ASP A 31 -0.364 -6.735 -3.718 1.00 0.00 C ATOM 498 O ASP A 31 0.791 -6.623 -4.128 1.00 0.00 O ATOM 499 CB ASP A 31 -1.134 -9.067 -3.237 1.00 0.00 C ATOM 500 CG ASP A 31 -0.016 -9.813 -3.953 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.954 -10.146 -3.313 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.206 -10.181 -5.088 1.00 0.00 O ATOM 0 H ASP A 31 -2.654 -7.693 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 31 0.181 -7.891 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.535 -9.706 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.944 -8.885 -3.944 1.00 0.00 H new ATOM 507 N LEU A 32 -1.373 -6.012 -4.193 1.00 0.00 N ATOM 508 CA LEU A 32 -1.229 -5.183 -5.383 1.00 0.00 C ATOM 509 C LEU A 32 -0.202 -4.078 -5.165 1.00 0.00 C ATOM 510 O LEU A 32 0.523 -3.701 -6.085 1.00 0.00 O ATOM 511 CB LEU A 32 -2.583 -4.581 -5.778 1.00 0.00 C ATOM 512 CG LEU A 32 -3.357 -5.362 -6.848 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.703 -6.752 -6.331 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.617 -4.596 -7.225 1.00 0.00 C ATOM 0 H LEU A 32 -2.301 -5.984 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.873 -5.817 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.204 -4.506 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.420 -3.565 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.737 -5.474 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.252 -7.299 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.786 -7.289 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.319 -6.664 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.167 -5.151 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.244 -4.471 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.344 -3.617 -7.618 1.00 0.00 H new ATOM 526 N ILE A 33 -0.145 -3.565 -3.940 1.00 0.00 N ATOM 527 CA ILE A 33 0.803 -2.513 -3.595 1.00 0.00 C ATOM 528 C ILE A 33 2.233 -3.038 -3.595 1.00 0.00 C ATOM 529 O ILE A 33 3.188 -2.267 -3.692 1.00 0.00 O ATOM 530 CB ILE A 33 0.491 -1.901 -2.217 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.540 -2.980 -1.131 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.868 -1.219 -2.234 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.007 -2.471 0.215 1.00 0.00 C ATOM 0 H ILE A 33 -0.745 -3.861 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 33 0.704 -1.739 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 33 1.248 -1.150 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.453 -3.416 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.204 -3.780 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.073 -0.792 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.868 -0.426 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.639 -1.950 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.015 -3.292 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.013 -2.062 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.330 -1.692 0.564 1.00 0.00 H new ATOM 545 N ASN A 34 2.375 -4.354 -3.485 1.00 0.00 N ATOM 546 CA ASN A 34 3.688 -4.988 -3.500 1.00 0.00 C ATOM 547 C ASN A 34 4.264 -5.027 -4.910 1.00 0.00 C ATOM 548 O ASN A 34 5.477 -4.923 -5.097 1.00 0.00 O ATOM 549 CB ASN A 34 3.636 -6.387 -2.916 1.00 0.00 C ATOM 550 CG ASN A 34 3.416 -6.415 -1.429 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.785 -5.479 -0.708 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.891 -7.515 -0.956 1.00 0.00 N ATOM 0 H ASN A 34 1.595 -5.004 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 34 4.345 -4.383 -2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.836 -6.945 -3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.569 -6.902 -3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.770 -7.631 0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.603 -8.258 -1.593 1.00 0.00 H new ATOM 559 N LYS A 35 3.390 -5.177 -5.898 1.00 0.00 N ATOM 560 CA LYS A 35 3.765 -4.972 -7.291 1.00 0.00 C ATOM 561 C LYS A 35 4.122 -3.515 -7.558 1.00 0.00 C ATOM 562 O LYS A 35 4.895 -3.212 -8.467 1.00 0.00 O ATOM 563 CB LYS A 35 2.634 -5.414 -8.222 1.00 0.00 C ATOM 564 CG LYS A 35 2.970 -5.332 -9.704 1.00 0.00 C ATOM 565 CD LYS A 35 1.840 -5.884 -10.559 1.00 0.00 C ATOM 566 CE LYS A 35 2.175 -5.803 -12.042 1.00 0.00 C ATOM 567 NZ LYS A 35 1.076 -6.337 -12.891 1.00 0.00 N ATOM 0 H LYS A 35 2.414 -5.441 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 35 4.647 -5.581 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.362 -6.441 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.757 -4.797 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.163 -4.295 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.885 -5.890 -9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.647 -6.921 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.925 -5.326 -10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.372 -4.766 -12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.090 -6.363 -12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.344 -6.263 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.905 -7.334 -12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.209 -5.787 -12.723 1.00 0.00 H new ATOM 581 N ALA A 36 3.557 -2.618 -6.759 1.00 0.00 N ATOM 582 CA ALA A 36 3.706 -1.186 -6.989 1.00 0.00 C ATOM 583 C ALA A 36 5.110 -0.714 -6.634 1.00 0.00 C ATOM 584 O ALA A 36 5.314 -0.050 -5.618 1.00 0.00 O ATOM 585 CB ALA A 36 2.666 -0.410 -6.194 1.00 0.00 C ATOM 0 H ALA A 36 2.991 -2.857 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 36 3.548 -0.997 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.791 0.657 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.667 -0.717 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.794 -0.614 -5.131 1.00 0.00 H new ATOM 591 N LYS A 37 6.076 -1.059 -7.478 1.00 0.00 N ATOM 592 CA LYS A 37 7.467 -0.691 -7.244 1.00 0.00 C ATOM 593 C LYS A 37 7.640 0.823 -7.221 1.00 0.00 C ATOM 594 O LYS A 37 8.733 1.328 -6.967 1.00 0.00 O ATOM 595 CB LYS A 37 8.372 -1.307 -8.312 1.00 0.00 C ATOM 596 CG LYS A 37 9.857 -1.266 -7.978 1.00 0.00 C ATOM 597 CD LYS A 37 10.676 -2.038 -9.002 1.00 0.00 C ATOM 598 CE LYS A 37 12.139 -2.122 -8.592 1.00 0.00 C ATOM 599 NZ LYS A 37 12.939 -2.936 -9.547 1.00 0.00 N ATOM 0 H LYS A 37 5.921 -1.594 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 37 7.755 -1.082 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.076 -2.344 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.209 -0.784 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.196 -0.231 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.021 -1.687 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.269 -3.043 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.596 -1.553 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.557 -1.117 -8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.212 -2.557 -7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.929 -2.968 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.556 -3.902 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.891 -2.507 -10.493 1.00 0.00 H new ATOM 613 N THR A 38 6.554 1.541 -7.487 1.00 0.00 N ATOM 614 CA THR A 38 6.523 2.984 -7.285 1.00 0.00 C ATOM 615 C THR A 38 5.675 3.352 -6.075 1.00 0.00 C ATOM 616 O THR A 38 4.743 2.633 -5.715 1.00 0.00 O ATOM 617 CB THR A 38 5.974 3.717 -8.524 1.00 0.00 C ATOM 618 OG1 THR A 38 4.585 3.406 -8.692 1.00 0.00 O ATOM 619 CG2 THR A 38 6.738 3.298 -9.772 1.00 0.00 C ATOM 0 H THR A 38 5.683 1.146 -7.843 1.00 0.00 H new ATOM 0 HA THR A 38 7.552 3.299 -7.114 1.00 0.00 H new ATOM 0 HB THR A 38 6.097 4.790 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.238 3.875 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.337 3.825 -10.638 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.793 3.545 -9.653 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.631 2.223 -9.920 1.00 0.00 H new ATOM 627 N VAL A 39 6.004 4.478 -5.448 1.00 0.00 N ATOM 628 CA VAL A 39 5.207 5.000 -4.343 1.00 0.00 C ATOM 629 C VAL A 39 3.829 5.441 -4.819 1.00 0.00 C ATOM 630 O VAL A 39 2.831 5.245 -4.125 1.00 0.00 O ATOM 631 CB VAL A 39 5.907 6.187 -3.656 1.00 0.00 C ATOM 632 CG1 VAL A 39 4.980 6.832 -2.636 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.197 5.732 -2.989 1.00 0.00 C ATOM 0 H VAL A 39 6.817 5.046 -5.686 1.00 0.00 H new ATOM 0 HA VAL A 39 5.096 4.189 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 39 6.155 6.928 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.490 7.669 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.082 7.192 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.704 6.097 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.678 6.584 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.971 4.973 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.867 5.313 -3.740 1.00 0.00 H new ATOM 643 N GLU A 40 3.780 6.037 -6.005 1.00 0.00 N ATOM 644 CA GLU A 40 2.527 6.528 -6.565 1.00 0.00 C ATOM 645 C GLU A 40 1.558 5.383 -6.836 1.00 0.00 C ATOM 646 O GLU A 40 0.347 5.530 -6.669 1.00 0.00 O ATOM 647 CB GLU A 40 2.786 7.313 -7.853 1.00 0.00 C ATOM 648 CG GLU A 40 3.474 8.654 -7.644 1.00 0.00 C ATOM 649 CD GLU A 40 3.792 9.315 -8.957 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.544 8.718 -9.976 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.179 10.460 -8.944 1.00 0.00 O ATOM 0 H GLU A 40 4.595 6.192 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 40 2.072 7.193 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.398 6.704 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.835 7.481 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.832 9.306 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.393 8.509 -7.075 1.00 0.00 H new ATOM 658 N GLY A 41 2.099 4.244 -7.253 1.00 0.00 N ATOM 659 CA GLY A 41 1.295 3.046 -7.464 1.00 0.00 C ATOM 660 C GLY A 41 0.615 2.605 -6.174 1.00 0.00 C ATOM 661 O GLY A 41 -0.584 2.330 -6.156 1.00 0.00 O ATOM 0 H GLY A 41 3.092 4.125 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.542 3.240 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.928 2.241 -7.838 1.00 0.00 H new ATOM 665 N VAL A 42 1.388 2.541 -5.095 1.00 0.00 N ATOM 666 CA VAL A 42 0.877 2.068 -3.813 1.00 0.00 C ATOM 667 C VAL A 42 -0.277 2.934 -3.328 1.00 0.00 C ATOM 668 O VAL A 42 -1.273 2.425 -2.812 1.00 0.00 O ATOM 669 CB VAL A 42 1.980 2.050 -2.738 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.387 1.732 -1.373 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.058 1.039 -3.098 1.00 0.00 C ATOM 0 H VAL A 42 2.372 2.811 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 42 0.521 1.050 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 42 2.436 3.039 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.180 1.723 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.649 2.491 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.906 0.754 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.829 1.040 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.616 0.045 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.502 1.307 -4.057 1.00 0.00 H new ATOM 681 N ASN A 43 -0.140 4.245 -3.496 1.00 0.00 N ATOM 682 CA ASN A 43 -1.186 5.182 -3.108 1.00 0.00 C ATOM 683 C ASN A 43 -2.382 5.093 -4.047 1.00 0.00 C ATOM 684 O ASN A 43 -3.532 5.114 -3.608 1.00 0.00 O ATOM 685 CB ASN A 43 -0.666 6.607 -3.055 1.00 0.00 C ATOM 686 CG ASN A 43 -1.663 7.597 -2.519 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.089 7.513 -1.362 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.096 8.483 -3.379 1.00 0.00 N ATOM 0 H ASN A 43 0.688 4.683 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.511 4.902 -2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.229 6.634 -2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.368 6.913 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.820 9.148 -3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.710 8.509 -4.323 1.00 0.00 H new ATOM 695 N ALA A 44 -2.103 4.992 -5.342 1.00 0.00 N ATOM 696 CA ALA A 44 -3.155 4.929 -6.350 1.00 0.00 C ATOM 697 C ALA A 44 -3.991 3.665 -6.196 1.00 0.00 C ATOM 698 O ALA A 44 -5.220 3.712 -6.230 1.00 0.00 O ATOM 699 CB ALA A 44 -2.557 5.007 -7.747 1.00 0.00 C ATOM 0 H ALA A 44 -1.156 4.952 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.813 5.785 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.355 4.959 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.015 5.946 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.872 4.172 -7.897 1.00 0.00 H new ATOM 705 N LEU A 45 -3.315 2.533 -6.029 1.00 0.00 N ATOM 706 CA LEU A 45 -3.994 1.260 -5.815 1.00 0.00 C ATOM 707 C LEU A 45 -4.851 1.297 -4.555 1.00 0.00 C ATOM 708 O LEU A 45 -6.046 1.006 -4.597 1.00 0.00 O ATOM 709 CB LEU A 45 -2.970 0.120 -5.731 1.00 0.00 C ATOM 710 CG LEU A 45 -2.110 -0.078 -6.985 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.739 -0.617 -6.599 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.815 -1.029 -7.940 1.00 0.00 C ATOM 0 H LEU A 45 -2.297 2.471 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.654 1.082 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.311 0.307 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.501 -0.809 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.970 0.880 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.136 -0.754 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.244 0.091 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.854 -1.574 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.203 -1.169 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.968 -1.990 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.780 -0.610 -8.225 1.00 0.00 H new ATOM 724 N LYS A 46 -4.231 1.657 -3.436 1.00 0.00 N ATOM 725 CA LYS A 46 -4.921 1.673 -2.151 1.00 0.00 C ATOM 726 C LYS A 46 -6.092 2.647 -2.168 1.00 0.00 C ATOM 727 O LYS A 46 -7.116 2.412 -1.525 1.00 0.00 O ATOM 728 CB LYS A 46 -3.949 2.038 -1.027 1.00 0.00 C ATOM 729 CG LYS A 46 -4.412 1.625 0.363 1.00 0.00 C ATOM 730 CD LYS A 46 -3.713 2.436 1.443 1.00 0.00 C ATOM 731 CE LYS A 46 -4.236 3.864 1.490 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.549 4.674 2.532 1.00 0.00 N ATOM 0 H LYS A 46 -3.252 1.941 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.313 0.672 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.986 1.570 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.788 3.116 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.490 1.761 0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.212 0.564 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.863 1.960 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.639 2.446 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.098 4.333 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.308 3.851 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.253 5.222 3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.037 4.043 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.876 5.324 2.078 1.00 0.00 H new ATOM 746 N ASP A 47 -5.936 3.740 -2.905 1.00 0.00 N ATOM 747 CA ASP A 47 -6.915 4.821 -2.889 1.00 0.00 C ATOM 748 C ASP A 47 -8.331 4.285 -3.055 1.00 0.00 C ATOM 749 O ASP A 47 -9.263 4.757 -2.403 1.00 0.00 O ATOM 750 CB ASP A 47 -6.607 5.840 -3.990 1.00 0.00 C ATOM 751 CG ASP A 47 -7.365 7.154 -3.861 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.169 7.837 -2.884 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.011 7.540 -4.806 1.00 0.00 O ATOM 0 H ASP A 47 -5.140 3.902 -3.522 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.849 5.315 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.537 6.050 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.840 5.394 -4.957 1.00 0.00 H new ATOM 758 N GLU A 48 -8.486 3.296 -3.928 1.00 0.00 N ATOM 759 CA GLU A 48 -9.785 2.677 -4.162 1.00 0.00 C ATOM 760 C GLU A 48 -10.281 1.954 -2.916 1.00 0.00 C ATOM 761 O GLU A 48 -11.474 1.972 -2.612 1.00 0.00 O ATOM 762 CB GLU A 48 -9.709 1.702 -5.340 1.00 0.00 C ATOM 763 CG GLU A 48 -9.526 2.369 -6.696 1.00 0.00 C ATOM 764 CD GLU A 48 -9.351 1.349 -7.786 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.306 0.182 -7.480 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.376 1.727 -8.935 1.00 0.00 O ATOM 0 H GLU A 48 -7.727 2.905 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.494 3.469 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.881 1.013 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.621 1.106 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.391 2.995 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.657 3.026 -6.666 1.00 0.00 H new ATOM 773 N ILE A 49 -9.360 1.320 -2.199 1.00 0.00 N ATOM 774 CA ILE A 49 -9.709 0.560 -1.004 1.00 0.00 C ATOM 775 C ILE A 49 -9.977 1.484 0.177 1.00 0.00 C ATOM 776 O ILE A 49 -10.915 1.270 0.944 1.00 0.00 O ATOM 777 CB ILE A 49 -8.598 -0.436 -0.624 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.301 -1.377 -1.795 1.00 0.00 C ATOM 779 CG2 ILE A 49 -8.995 -1.227 0.613 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.469 -2.253 -2.185 1.00 0.00 C ATOM 0 H ILE A 49 -8.365 1.317 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.617 0.004 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.691 0.125 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.000 -0.784 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.454 -2.012 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.199 -1.927 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.158 -0.543 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.913 -1.779 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.182 -2.891 -3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.757 -2.874 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.311 -1.627 -2.479 1.00 0.00 H new ATOM 792 N LEU A 50 -9.146 2.512 0.318 1.00 0.00 N ATOM 793 CA LEU A 50 -9.302 3.480 1.396 1.00 0.00 C ATOM 794 C LEU A 50 -10.611 4.247 1.263 1.00 0.00 C ATOM 795 O LEU A 50 -11.244 4.594 2.261 1.00 0.00 O ATOM 796 CB LEU A 50 -8.115 4.451 1.412 1.00 0.00 C ATOM 797 CG LEU A 50 -8.128 5.479 2.552 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.006 4.772 3.895 1.00 0.00 C ATOM 799 CD2 LEU A 50 -6.988 6.468 2.357 1.00 0.00 C ATOM 0 H LEU A 50 -8.357 2.696 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.327 2.934 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.193 3.872 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.090 4.985 0.462 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.072 6.024 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.016 5.510 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.843 4.086 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.071 4.213 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.997 7.198 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.038 5.934 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.111 6.982 1.404 1.00 0.00 H new ATOM 811 N LYS A 51 -11.014 4.508 0.024 1.00 0.00 N ATOM 812 CA LYS A 51 -12.250 5.235 -0.242 1.00 0.00 C ATOM 813 C LYS A 51 -13.395 4.278 -0.555 1.00 0.00 C ATOM 814 O LYS A 51 -14.433 4.685 -1.075 1.00 0.00 O ATOM 815 CB LYS A 51 -12.057 6.218 -1.398 1.00 0.00 C ATOM 816 CG LYS A 51 -11.084 7.352 -1.103 1.00 0.00 C ATOM 817 CD LYS A 51 -10.963 8.298 -2.287 1.00 0.00 C ATOM 818 CE LYS A 51 -10.012 9.447 -1.983 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.839 10.351 -3.153 1.00 0.00 N ATOM 0 H LYS A 51 -10.502 4.227 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.507 5.794 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.703 5.669 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.025 6.645 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.421 7.905 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.104 6.940 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.606 7.749 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.946 8.694 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.392 10.018 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.042 9.047 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.184 11.120 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.452 9.812 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.760 10.754 -3.420 1.00 0.00 H new ATOM 833 N ALA A 52 -13.196 3.003 -0.235 1.00 0.00 N ATOM 834 CA ALA A 52 -14.213 1.986 -0.478 1.00 0.00 C ATOM 835 C ALA A 52 -15.462 2.246 0.356 1.00 0.00 C ATOM 836 O ALA A 52 -16.264 3.063 -0.003 1.00 0.00 O ATOM 837 CB ALA A 52 -13.656 0.601 -0.187 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.643 1.633 1.372 1.00 0.00 O ATOM 0 H ALA A 52 -12.340 2.650 0.193 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.496 2.036 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.426 -0.147 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.800 0.410 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.342 0.547 0.855 1.00 0.00 H new