USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 743 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 130 THR OG1 : rot 130:sc= -0.0628 USER MOD Set 1.2: A 143 GLN : amide:sc= 0 X(o=-0.063,f=-0.063) USER MOD Set 2.1: A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 125 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 98 THR OG1 : rot 90:sc= -1.17 USER MOD Set 3.2: A 112 THR OG1 : rot 180:sc= -3.23! USER MOD Set 4.1: A 64 THR OG1 : rot -59:sc= 1.74 USER MOD Set 4.2: A 71 THR OG1 : rot -122:sc= 0.911 USER MOD Single : A 32 GLN : amide:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -145:sc= -0.272 (180deg=-1.82!) USER MOD Single : A 38 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.277 (180deg=-0.476) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= -0.425 (180deg=-2.17!) USER MOD Single : A 48 SER OG : rot 87:sc= 0.332 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -7.58! C(o=-7.6!,f=-9.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 60 ASN : amide:sc= -4.93 K(o=-4.9,f=-10!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.43) USER MOD Single : A 76 LYS NZ :NH3+ -130:sc= -0.201 (180deg=-0.255) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -26:sc= 0.214 USER MOD Single : A 83 THR OG1 : rot -98:sc= 0.152 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0897 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 99 MET CE :methyl -156:sc= -0.0549 (180deg=-0.505) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= -0.0415 (180deg=-0.26) USER MOD Single : A 102 SER OG : rot 180:sc= -1.03 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 111 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.768) USER MOD Single : A 114 THR OG1 : rot 170:sc= -4.1! USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 119 ASN : amide:sc= -14.4! C(o=-14!,f=-20!) USER MOD Single : A 124 SER OG : rot -48:sc= 0.396 USER MOD Single : A 126 THR OG1 : rot 106:sc= 0.617 USER MOD Single : A 131 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 132 ASN : amide:sc= -0.895 X(o=-0.9,f=-0.76) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 137 N ALA A 31 -12.508 -14.166 -4.454 1.00 0.00 N ATOM 138 CA ALA A 31 -12.853 -12.865 -3.886 1.00 0.00 C ATOM 139 C ALA A 31 -12.142 -11.741 -4.643 1.00 0.00 C ATOM 140 O ALA A 31 -11.324 -11.007 -4.082 1.00 0.00 O ATOM 141 CB ALA A 31 -12.462 -12.811 -2.405 1.00 0.00 C ATOM 0 HA ALA A 31 -13.930 -12.729 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.725 -11.836 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.995 -13.590 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.388 -12.969 -2.306 1.00 0.00 H new ATOM 147 N GLN A 32 -12.470 -11.608 -5.924 1.00 0.00 N ATOM 148 CA GLN A 32 -11.865 -10.566 -6.749 1.00 0.00 C ATOM 149 C GLN A 32 -12.466 -9.205 -6.408 1.00 0.00 C ATOM 150 O GLN A 32 -11.816 -8.170 -6.555 1.00 0.00 O ATOM 151 CB GLN A 32 -12.092 -10.858 -8.234 1.00 0.00 C ATOM 152 CG GLN A 32 -11.280 -9.873 -9.078 1.00 0.00 C ATOM 153 CD GLN A 32 -10.937 -10.511 -10.419 1.00 0.00 C ATOM 154 OE1 GLN A 32 -11.715 -10.432 -11.369 1.00 0.00 O ATOM 155 NE2 GLN A 32 -9.806 -11.149 -10.554 1.00 0.00 N ATOM 0 H GLN A 32 -13.143 -12.201 -6.410 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.794 -10.552 -6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.795 -11.881 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.152 -10.772 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.850 -8.957 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.367 -9.594 -8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.161 -11.215 -9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.568 -11.582 -11.447 1.00 0.00 H new ATOM 164 N LEU A 33 -13.716 -9.217 -5.947 1.00 0.00 N ATOM 165 CA LEU A 33 -14.396 -7.978 -5.584 1.00 0.00 C ATOM 166 C LEU A 33 -13.693 -7.314 -4.405 1.00 0.00 C ATOM 167 O LEU A 33 -13.442 -6.109 -4.410 1.00 0.00 O ATOM 168 CB LEU A 33 -15.850 -8.257 -5.201 1.00 0.00 C ATOM 169 CG LEU A 33 -16.811 -7.081 -5.395 1.00 0.00 C ATOM 170 CD1 LEU A 33 -18.211 -7.485 -4.934 1.00 0.00 C ATOM 171 CD2 LEU A 33 -16.327 -5.888 -4.567 1.00 0.00 C ATOM 0 H LEU A 33 -14.272 -10.062 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.370 -7.314 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -16.209 -9.100 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.882 -8.563 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.841 -6.806 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.895 -6.648 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.556 -8.336 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -18.182 -7.760 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.010 -5.049 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.298 -6.164 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.328 -5.599 -4.894 1.00 0.00 H new ATOM 183 N SER A 34 -13.376 -8.119 -3.394 1.00 0.00 N ATOM 184 CA SER A 34 -12.697 -7.606 -2.207 1.00 0.00 C ATOM 185 C SER A 34 -11.336 -7.027 -2.580 1.00 0.00 C ATOM 186 O SER A 34 -10.982 -5.921 -2.172 1.00 0.00 O ATOM 187 CB SER A 34 -12.501 -8.722 -1.180 1.00 0.00 C ATOM 188 OG SER A 34 -12.097 -8.152 0.059 1.00 0.00 O ATOM 0 H SER A 34 -13.576 -9.119 -3.372 1.00 0.00 H new ATOM 0 HA SER A 34 -13.318 -6.821 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.428 -9.281 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.749 -9.428 -1.532 1.00 0.00 H new ATOM 0 HG SER A 34 -11.972 -8.864 0.721 1.00 0.00 H new ATOM 194 N GLU A 35 -10.578 -7.788 -3.365 1.00 0.00 N ATOM 195 CA GLU A 35 -9.254 -7.340 -3.792 1.00 0.00 C ATOM 196 C GLU A 35 -9.371 -6.115 -4.696 1.00 0.00 C ATOM 197 O GLU A 35 -8.484 -5.262 -4.725 1.00 0.00 O ATOM 198 CB GLU A 35 -8.531 -8.453 -4.554 1.00 0.00 C ATOM 199 CG GLU A 35 -7.054 -8.088 -4.712 1.00 0.00 C ATOM 200 CD GLU A 35 -6.374 -9.101 -5.626 1.00 0.00 C ATOM 201 OE1 GLU A 35 -6.304 -10.259 -5.246 1.00 0.00 O ATOM 202 OE2 GLU A 35 -5.931 -8.704 -6.691 1.00 0.00 O ATOM 0 H GLU A 35 -10.852 -8.706 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.684 -7.081 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.628 -9.397 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.988 -8.594 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.959 -7.085 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.565 -8.076 -3.738 1.00 0.00 H new ATOM 209 N ALA A 36 -10.473 -6.041 -5.438 1.00 0.00 N ATOM 210 CA ALA A 36 -10.696 -4.919 -6.346 1.00 0.00 C ATOM 211 C ALA A 36 -10.794 -3.607 -5.572 1.00 0.00 C ATOM 212 O ALA A 36 -10.055 -2.659 -5.835 1.00 0.00 O ATOM 213 CB ALA A 36 -11.989 -5.124 -7.138 1.00 0.00 C ATOM 0 H ALA A 36 -11.219 -6.737 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.849 -4.871 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.142 -4.280 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.917 -6.043 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.830 -5.196 -6.449 1.00 0.00 H new ATOM 219 N MET A 37 -11.720 -3.562 -4.617 1.00 0.00 N ATOM 220 CA MET A 37 -11.915 -2.357 -3.810 1.00 0.00 C ATOM 221 C MET A 37 -10.631 -1.986 -3.068 1.00 0.00 C ATOM 222 O MET A 37 -10.374 -0.813 -2.798 1.00 0.00 O ATOM 223 CB MET A 37 -13.038 -2.568 -2.791 1.00 0.00 C ATOM 224 CG MET A 37 -12.768 -3.837 -1.981 1.00 0.00 C ATOM 225 SD MET A 37 -13.815 -3.844 -0.504 1.00 0.00 S ATOM 226 CE MET A 37 -13.037 -2.436 0.327 1.00 0.00 C ATOM 0 H MET A 37 -12.342 -4.336 -4.383 1.00 0.00 H new ATOM 0 HA MET A 37 -12.185 -1.546 -4.486 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.104 -1.707 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 37 -13.997 -2.649 -3.304 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.971 -4.719 -2.588 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.717 -3.882 -1.695 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.038 -2.603 1.404 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.010 -2.329 -0.023 1.00 0.00 H new ATOM 0 HE3 MET A 37 -13.594 -1.527 0.101 1.00 0.00 H new ATOM 236 N THR A 38 -9.830 -2.997 -2.744 1.00 0.00 N ATOM 237 CA THR A 38 -8.574 -2.759 -2.036 1.00 0.00 C ATOM 238 C THR A 38 -7.598 -2.001 -2.928 1.00 0.00 C ATOM 239 O THR A 38 -7.049 -0.969 -2.540 1.00 0.00 O ATOM 240 CB THR A 38 -7.937 -4.086 -1.613 1.00 0.00 C ATOM 241 OG1 THR A 38 -8.917 -4.899 -0.983 1.00 0.00 O ATOM 242 CG2 THR A 38 -6.790 -3.815 -0.639 1.00 0.00 C ATOM 0 H THR A 38 -10.023 -3.976 -2.956 1.00 0.00 H new ATOM 0 HA THR A 38 -8.794 -2.165 -1.149 1.00 0.00 H new ATOM 0 HB THR A 38 -7.549 -4.601 -2.492 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.422 -5.390 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.337 -4.760 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.040 -3.191 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.174 -3.300 0.242 1.00 0.00 H new ATOM 250 N LEU A 39 -7.390 -2.525 -4.133 1.00 0.00 N ATOM 251 CA LEU A 39 -6.479 -1.893 -5.083 1.00 0.00 C ATOM 252 C LEU A 39 -7.020 -0.536 -5.529 1.00 0.00 C ATOM 253 O LEU A 39 -6.258 0.364 -5.882 1.00 0.00 O ATOM 254 CB LEU A 39 -6.289 -2.782 -6.313 1.00 0.00 C ATOM 255 CG LEU A 39 -5.246 -2.287 -7.317 1.00 0.00 C ATOM 256 CD1 LEU A 39 -3.869 -2.831 -6.935 1.00 0.00 C ATOM 257 CD2 LEU A 39 -5.617 -2.778 -8.718 1.00 0.00 C ATOM 0 H LEU A 39 -7.835 -3.378 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.521 -1.752 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.005 -3.780 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.247 -2.877 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.220 -1.197 -7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.127 -2.478 -7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.604 -2.483 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.893 -3.921 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.875 -2.426 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.642 -3.868 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.598 -2.390 -8.991 1.00 0.00 H new ATOM 269 N ALA A 40 -8.346 -0.397 -5.513 1.00 0.00 N ATOM 270 CA ALA A 40 -8.981 0.856 -5.921 1.00 0.00 C ATOM 271 C ALA A 40 -8.484 2.019 -5.066 1.00 0.00 C ATOM 272 O ALA A 40 -8.034 3.042 -5.585 1.00 0.00 O ATOM 273 CB ALA A 40 -10.501 0.754 -5.784 1.00 0.00 C ATOM 0 H ALA A 40 -8.996 -1.129 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.718 1.037 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.958 1.695 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.870 -0.053 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.760 0.547 -4.745 1.00 0.00 H new ATOM 279 N SER A 41 -8.567 1.851 -3.749 1.00 0.00 N ATOM 280 CA SER A 41 -8.121 2.892 -2.829 1.00 0.00 C ATOM 281 C SER A 41 -6.627 3.150 -3.005 1.00 0.00 C ATOM 282 O SER A 41 -6.164 4.289 -2.931 1.00 0.00 O ATOM 283 CB SER A 41 -8.390 2.478 -1.382 1.00 0.00 C ATOM 284 OG SER A 41 -9.678 2.936 -0.994 1.00 0.00 O ATOM 0 H SER A 41 -8.935 1.013 -3.299 1.00 0.00 H new ATOM 0 HA SER A 41 -8.676 3.803 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.333 1.394 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.629 2.898 -0.724 1.00 0.00 H new ATOM 0 HG SER A 41 -9.854 2.671 -0.067 1.00 0.00 H new ATOM 290 N GLY A 42 -5.881 2.076 -3.241 1.00 0.00 N ATOM 291 CA GLY A 42 -4.437 2.189 -3.430 1.00 0.00 C ATOM 292 C GLY A 42 -4.101 2.799 -4.791 1.00 0.00 C ATOM 293 O GLY A 42 -3.013 3.338 -4.987 1.00 0.00 O ATOM 0 H GLY A 42 -6.246 1.126 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.012 2.805 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.979 1.203 -3.348 1.00 0.00 H new ATOM 297 N LEU A 43 -5.040 2.704 -5.734 1.00 0.00 N ATOM 298 CA LEU A 43 -4.817 3.247 -7.070 1.00 0.00 C ATOM 299 C LEU A 43 -4.958 4.768 -7.071 1.00 0.00 C ATOM 300 O LEU A 43 -4.082 5.484 -7.557 1.00 0.00 O ATOM 301 CB LEU A 43 -5.820 2.652 -8.058 1.00 0.00 C ATOM 302 CG LEU A 43 -5.300 2.477 -9.487 1.00 0.00 C ATOM 303 CD1 LEU A 43 -4.182 1.430 -9.505 1.00 0.00 C ATOM 304 CD2 LEU A 43 -6.447 2.014 -10.387 1.00 0.00 C ATOM 0 H LEU A 43 -5.949 2.262 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.803 2.983 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.142 1.680 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.702 3.291 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.908 3.427 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.814 1.308 -10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.366 1.758 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.569 0.478 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.082 1.888 -11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.836 1.064 -10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.242 2.760 -10.376 1.00 0.00 H new ATOM 316 N LYS A 44 -6.072 5.256 -6.528 1.00 0.00 N ATOM 317 CA LYS A 44 -6.319 6.700 -6.481 1.00 0.00 C ATOM 318 C LYS A 44 -5.200 7.418 -5.727 1.00 0.00 C ATOM 319 O LYS A 44 -4.741 8.484 -6.140 1.00 0.00 O ATOM 320 CB LYS A 44 -7.657 7.003 -5.798 1.00 0.00 C ATOM 321 CG LYS A 44 -7.676 6.397 -4.390 1.00 0.00 C ATOM 322 CD LYS A 44 -9.070 6.563 -3.776 1.00 0.00 C ATOM 323 CE LYS A 44 -9.077 7.769 -2.834 1.00 0.00 C ATOM 324 NZ LYS A 44 -10.474 8.050 -2.394 1.00 0.00 N ATOM 0 H LYS A 44 -6.810 4.683 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.350 7.060 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.810 8.081 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.477 6.596 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.411 5.341 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.931 6.886 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.811 6.700 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.348 5.661 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.445 7.571 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.662 8.641 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.517 8.992 -1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.109 8.022 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.771 7.332 -1.702 1.00 0.00 H new ATOM 338 N THR A 45 -4.768 6.824 -4.620 1.00 0.00 N ATOM 339 CA THR A 45 -3.703 7.420 -3.817 1.00 0.00 C ATOM 340 C THR A 45 -2.349 7.261 -4.510 1.00 0.00 C ATOM 341 O THR A 45 -1.441 8.070 -4.318 1.00 0.00 O ATOM 342 CB THR A 45 -3.639 6.767 -2.431 1.00 0.00 C ATOM 343 OG1 THR A 45 -2.569 7.339 -1.691 1.00 0.00 O ATOM 344 CG2 THR A 45 -3.414 5.258 -2.570 1.00 0.00 C ATOM 0 H THR A 45 -5.132 5.942 -4.260 1.00 0.00 H new ATOM 0 HA THR A 45 -3.927 8.481 -3.705 1.00 0.00 H new ATOM 0 HB THR A 45 -4.581 6.939 -1.911 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.527 6.925 -0.804 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.370 4.804 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.236 4.818 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.476 5.077 -3.094 1.00 0.00 H new ATOM 352 N LYS A 46 -2.220 6.208 -5.315 1.00 0.00 N ATOM 353 CA LYS A 46 -0.969 5.954 -6.026 1.00 0.00 C ATOM 354 C LYS A 46 -0.839 6.868 -7.239 1.00 0.00 C ATOM 355 O LYS A 46 0.190 7.515 -7.437 1.00 0.00 O ATOM 356 CB LYS A 46 -0.902 4.500 -6.496 1.00 0.00 C ATOM 357 CG LYS A 46 -0.315 3.628 -5.384 1.00 0.00 C ATOM 358 CD LYS A 46 -0.582 2.153 -5.695 1.00 0.00 C ATOM 359 CE LYS A 46 0.581 1.584 -6.509 1.00 0.00 C ATOM 360 NZ LYS A 46 0.498 2.079 -7.913 1.00 0.00 N ATOM 0 H LYS A 46 -2.957 5.525 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.152 6.153 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.898 4.147 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.288 4.425 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.757 3.804 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.760 3.895 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.701 1.591 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.514 2.051 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.530 1.882 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.550 0.495 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.828 1.337 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.488 2.322 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.096 2.923 -8.019 1.00 0.00 H new ATOM 374 N VAL A 47 -1.891 6.910 -8.057 1.00 0.00 N ATOM 375 CA VAL A 47 -1.884 7.741 -9.263 1.00 0.00 C ATOM 376 C VAL A 47 -1.579 9.202 -8.917 1.00 0.00 C ATOM 377 O VAL A 47 -0.859 9.890 -9.644 1.00 0.00 O ATOM 378 CB VAL A 47 -3.233 7.638 -9.994 1.00 0.00 C ATOM 379 CG1 VAL A 47 -4.356 8.219 -9.127 1.00 0.00 C ATOM 380 CG2 VAL A 47 -3.159 8.405 -11.318 1.00 0.00 C ATOM 0 H VAL A 47 -2.752 6.384 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.098 7.374 -9.923 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.447 6.587 -10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.304 8.139 -9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.417 7.664 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.147 9.267 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.116 8.331 -11.835 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.934 9.453 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.375 7.977 -11.943 1.00 0.00 H new ATOM 390 N SER A 48 -2.123 9.662 -7.791 1.00 0.00 N ATOM 391 CA SER A 48 -1.891 11.036 -7.350 1.00 0.00 C ATOM 392 C SER A 48 -0.400 11.268 -7.129 1.00 0.00 C ATOM 393 O SER A 48 0.115 12.364 -7.355 1.00 0.00 O ATOM 394 CB SER A 48 -2.638 11.313 -6.045 1.00 0.00 C ATOM 395 OG SER A 48 -4.028 11.432 -6.317 1.00 0.00 O ATOM 0 H SER A 48 -2.720 9.111 -7.174 1.00 0.00 H new ATOM 0 HA SER A 48 -2.258 11.710 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.463 10.506 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.265 12.229 -5.586 1.00 0.00 H new ATOM 0 HG SER A 48 -4.441 10.544 -6.302 1.00 0.00 H new ATOM 401 N ASP A 49 0.286 10.218 -6.687 1.00 0.00 N ATOM 402 CA ASP A 49 1.721 10.307 -6.443 1.00 0.00 C ATOM 403 C ASP A 49 2.490 10.295 -7.762 1.00 0.00 C ATOM 404 O ASP A 49 3.560 10.892 -7.873 1.00 0.00 O ATOM 405 CB ASP A 49 2.195 9.135 -5.574 1.00 0.00 C ATOM 406 CG ASP A 49 3.244 9.623 -4.579 1.00 0.00 C ATOM 407 OD1 ASP A 49 4.073 10.430 -4.969 1.00 0.00 O ATOM 408 OD2 ASP A 49 3.204 9.182 -3.442 1.00 0.00 O ATOM 0 H ASP A 49 -0.124 9.305 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 49 1.914 11.244 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.350 8.700 -5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.614 8.350 -6.203 1.00 0.00 H new ATOM 413 N ILE A 50 1.934 9.605 -8.764 1.00 0.00 N ATOM 414 CA ILE A 50 2.586 9.519 -10.075 1.00 0.00 C ATOM 415 C ILE A 50 2.812 10.917 -10.649 1.00 0.00 C ATOM 416 O ILE A 50 3.952 11.333 -10.852 1.00 0.00 O ATOM 417 CB ILE A 50 1.754 8.671 -11.048 1.00 0.00 C ATOM 418 CG1 ILE A 50 1.561 7.273 -10.440 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.486 8.552 -12.398 1.00 0.00 C ATOM 420 CD1 ILE A 50 0.674 6.423 -11.352 1.00 0.00 C ATOM 0 H ILE A 50 1.048 9.105 -8.695 1.00 0.00 H new ATOM 0 HA ILE A 50 3.553 9.033 -9.942 1.00 0.00 H new ATOM 0 HB ILE A 50 0.786 9.143 -11.214 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.528 6.789 -10.306 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.107 7.356 -9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.890 7.949 -13.083 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.632 9.546 -12.822 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.455 8.077 -12.246 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.543 5.434 -10.913 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.299 6.902 -11.463 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.145 6.326 -12.330 1.00 0.00 H new ATOM 432 N PHE A 51 1.727 11.662 -10.877 1.00 0.00 N ATOM 433 CA PHE A 51 1.864 13.032 -11.387 1.00 0.00 C ATOM 434 C PHE A 51 2.721 13.846 -10.405 1.00 0.00 C ATOM 435 O PHE A 51 3.418 14.784 -10.794 1.00 0.00 O ATOM 436 CB PHE A 51 0.469 13.684 -11.570 1.00 0.00 C ATOM 437 CG PHE A 51 0.573 15.196 -11.731 1.00 0.00 C ATOM 438 CD1 PHE A 51 0.637 16.008 -10.591 1.00 0.00 C ATOM 439 CD2 PHE A 51 0.606 15.781 -13.006 1.00 0.00 C ATOM 440 CE1 PHE A 51 0.732 17.398 -10.725 1.00 0.00 C ATOM 441 CE2 PHE A 51 0.702 17.171 -13.136 1.00 0.00 C ATOM 442 CZ PHE A 51 0.766 17.978 -11.998 1.00 0.00 C ATOM 0 H PHE A 51 0.768 11.352 -10.722 1.00 0.00 H new ATOM 0 HA PHE A 51 2.352 13.013 -12.361 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.021 13.257 -12.445 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.158 13.451 -10.709 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.613 15.561 -9.608 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.557 15.158 -13.887 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.779 18.023 -9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.727 17.620 -14.118 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.842 19.050 -12.101 1.00 0.00 H new ATOM 452 N SER A 52 2.673 13.456 -9.133 1.00 0.00 N ATOM 453 CA SER A 52 3.457 14.131 -8.114 1.00 0.00 C ATOM 454 C SER A 52 4.944 13.796 -8.275 1.00 0.00 C ATOM 455 O SER A 52 5.810 14.530 -7.797 1.00 0.00 O ATOM 456 CB SER A 52 2.999 13.709 -6.718 1.00 0.00 C ATOM 457 OG SER A 52 3.513 14.623 -5.759 1.00 0.00 O ATOM 0 H SER A 52 2.103 12.682 -8.790 1.00 0.00 H new ATOM 0 HA SER A 52 3.311 15.205 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.910 13.688 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.347 12.700 -6.498 1.00 0.00 H new ATOM 0 HG SER A 52 3.220 14.356 -4.863 1.00 0.00 H new ATOM 463 N GLN A 53 5.239 12.672 -8.957 1.00 0.00 N ATOM 464 CA GLN A 53 6.628 12.245 -9.176 1.00 0.00 C ATOM 465 C GLN A 53 7.498 13.421 -9.655 1.00 0.00 C ATOM 466 O GLN A 53 8.169 14.072 -8.856 1.00 0.00 O ATOM 467 CB GLN A 53 6.695 11.111 -10.219 1.00 0.00 C ATOM 468 CG GLN A 53 6.056 9.831 -9.673 1.00 0.00 C ATOM 469 CD GLN A 53 5.850 8.833 -10.818 1.00 0.00 C ATOM 470 OE1 GLN A 53 6.143 9.132 -11.979 1.00 0.00 O ATOM 471 NE2 GLN A 53 5.350 7.652 -10.562 1.00 0.00 N ATOM 0 H GLN A 53 4.538 12.051 -9.361 1.00 0.00 H new ATOM 0 HA GLN A 53 7.011 11.882 -8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.182 11.418 -11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.734 10.918 -10.487 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.693 9.393 -8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.101 10.062 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.106 7.398 -9.605 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.204 6.985 -11.320 1.00 0.00 H new ATOM 480 N ASP A 54 7.475 13.689 -10.965 1.00 0.00 N ATOM 481 CA ASP A 54 8.261 14.789 -11.522 1.00 0.00 C ATOM 482 C ASP A 54 7.428 16.066 -11.629 1.00 0.00 C ATOM 483 O ASP A 54 7.753 16.961 -12.408 1.00 0.00 O ATOM 484 CB ASP A 54 8.782 14.419 -12.913 1.00 0.00 C ATOM 485 CG ASP A 54 10.138 13.735 -12.783 1.00 0.00 C ATOM 486 OD1 ASP A 54 10.155 12.534 -12.569 1.00 0.00 O ATOM 487 OD2 ASP A 54 11.139 14.421 -12.899 1.00 0.00 O ATOM 0 H ASP A 54 6.928 13.166 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 54 9.098 14.968 -10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.075 13.757 -13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.872 15.314 -13.529 1.00 0.00 H new ATOM 492 N GLY A 55 6.336 16.140 -10.867 1.00 0.00 N ATOM 493 CA GLY A 55 5.464 17.315 -10.928 1.00 0.00 C ATOM 494 C GLY A 55 4.947 17.530 -12.355 1.00 0.00 C ATOM 495 O GLY A 55 4.579 18.640 -12.739 1.00 0.00 O ATOM 0 H GLY A 55 6.038 15.417 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.623 17.186 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.011 18.198 -10.597 1.00 0.00 H new ATOM 499 N SER A 56 4.933 16.447 -13.137 1.00 0.00 N ATOM 500 CA SER A 56 4.474 16.502 -14.520 1.00 0.00 C ATOM 501 C SER A 56 3.993 15.108 -14.948 1.00 0.00 C ATOM 502 O SER A 56 3.568 14.317 -14.105 1.00 0.00 O ATOM 503 CB SER A 56 5.615 16.977 -15.428 1.00 0.00 C ATOM 504 OG SER A 56 5.069 17.578 -16.594 1.00 0.00 O ATOM 0 H SER A 56 5.236 15.522 -12.832 1.00 0.00 H new ATOM 0 HA SER A 56 3.647 17.207 -14.606 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.244 17.692 -14.897 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.251 16.135 -15.703 1.00 0.00 H new ATOM 0 HG SER A 56 5.796 17.884 -17.175 1.00 0.00 H new ATOM 510 N CYS A 57 4.058 14.798 -16.247 1.00 0.00 N ATOM 511 CA CYS A 57 3.619 13.484 -16.716 1.00 0.00 C ATOM 512 C CYS A 57 4.670 12.837 -17.633 1.00 0.00 C ATOM 513 O CYS A 57 4.400 12.570 -18.807 1.00 0.00 O ATOM 514 CB CYS A 57 2.289 13.603 -17.466 1.00 0.00 C ATOM 515 SG CYS A 57 0.999 14.151 -16.321 1.00 0.00 S ATOM 0 H CYS A 57 4.402 15.424 -16.976 1.00 0.00 H new ATOM 0 HA CYS A 57 3.487 12.849 -15.840 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.385 14.312 -18.289 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.018 12.642 -17.903 1.00 0.00 H new ATOM 520 N PRO A 58 5.877 12.553 -17.112 1.00 0.00 N ATOM 521 CA PRO A 58 6.935 11.912 -17.913 1.00 0.00 C ATOM 522 C PRO A 58 6.772 10.394 -17.960 1.00 0.00 C ATOM 523 O PRO A 58 5.720 9.859 -17.613 1.00 0.00 O ATOM 524 CB PRO A 58 8.197 12.295 -17.150 1.00 0.00 C ATOM 525 CG PRO A 58 7.781 12.584 -15.713 1.00 0.00 C ATOM 526 CD PRO A 58 6.272 12.850 -15.716 1.00 0.00 C ATOM 0 HA PRO A 58 6.931 12.228 -18.956 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.928 11.487 -17.184 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.668 13.170 -17.598 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.020 11.739 -15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.322 13.446 -15.323 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.749 12.210 -15.005 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.045 13.881 -15.444 1.00 0.00 H new ATOM 534 N ALA A 59 7.826 9.705 -18.387 1.00 0.00 N ATOM 535 CA ALA A 59 7.787 8.247 -18.468 1.00 0.00 C ATOM 536 C ALA A 59 8.913 7.641 -17.639 1.00 0.00 C ATOM 537 O ALA A 59 9.998 8.213 -17.533 1.00 0.00 O ATOM 538 CB ALA A 59 7.933 7.787 -19.920 1.00 0.00 C ATOM 0 H ALA A 59 8.708 10.126 -18.679 1.00 0.00 H new ATOM 0 HA ALA A 59 6.826 7.912 -18.078 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.902 6.698 -19.962 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.117 8.196 -20.515 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.885 8.138 -20.319 1.00 0.00 H new ATOM 544 N ASN A 60 8.640 6.479 -17.046 1.00 0.00 N ATOM 545 CA ASN A 60 9.639 5.797 -16.222 1.00 0.00 C ATOM 546 C ASN A 60 10.809 5.311 -17.077 1.00 0.00 C ATOM 547 O ASN A 60 10.945 4.119 -17.360 1.00 0.00 O ATOM 548 CB ASN A 60 9.010 4.599 -15.505 1.00 0.00 C ATOM 549 CG ASN A 60 8.470 5.042 -14.151 1.00 0.00 C ATOM 550 OD1 ASN A 60 9.183 5.673 -13.371 1.00 0.00 O ATOM 551 ND2 ASN A 60 7.244 4.745 -13.819 1.00 0.00 N ATOM 0 H ASN A 60 7.746 5.994 -17.119 1.00 0.00 H new ATOM 0 HA ASN A 60 10.008 6.511 -15.486 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.205 4.181 -16.110 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.751 3.811 -15.372 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.876 5.036 -12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.653 4.222 -14.465 1.00 0.00 H new ATOM 558 N THR A 61 11.658 6.251 -17.476 1.00 0.00 N ATOM 559 CA THR A 61 12.825 5.921 -18.290 1.00 0.00 C ATOM 560 C THR A 61 14.099 6.059 -17.460 1.00 0.00 C ATOM 561 O THR A 61 15.076 5.339 -17.668 1.00 0.00 O ATOM 562 CB THR A 61 12.916 6.847 -19.505 1.00 0.00 C ATOM 563 OG1 THR A 61 14.122 6.584 -20.208 1.00 0.00 O ATOM 564 CG2 THR A 61 12.901 8.306 -19.044 1.00 0.00 C ATOM 0 H THR A 61 11.563 7.241 -17.252 1.00 0.00 H new ATOM 0 HA THR A 61 12.719 4.892 -18.633 1.00 0.00 H new ATOM 0 HB THR A 61 12.064 6.669 -20.161 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.182 7.175 -20.988 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.966 8.962 -19.912 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.975 8.508 -18.505 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.751 8.489 -18.387 1.00 0.00 H new ATOM 572 N ALA A 62 14.073 6.993 -16.512 1.00 0.00 N ATOM 573 CA ALA A 62 15.221 7.225 -15.642 1.00 0.00 C ATOM 574 C ALA A 62 14.748 7.678 -14.264 1.00 0.00 C ATOM 575 O ALA A 62 15.404 8.476 -13.595 1.00 0.00 O ATOM 576 CB ALA A 62 16.136 8.299 -16.234 1.00 0.00 C ATOM 0 H ALA A 62 13.273 7.598 -16.328 1.00 0.00 H new ATOM 0 HA ALA A 62 15.776 6.291 -15.553 1.00 0.00 H new ATOM 0 HB1 ALA A 62 16.986 8.458 -15.571 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.493 7.974 -17.211 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.581 9.231 -16.342 1.00 0.00 H new ATOM 582 N ALA A 63 13.594 7.159 -13.854 1.00 0.00 N ATOM 583 CA ALA A 63 13.021 7.509 -12.559 1.00 0.00 C ATOM 584 C ALA A 63 13.366 6.439 -11.519 1.00 0.00 C ATOM 585 O ALA A 63 14.290 5.650 -11.716 1.00 0.00 O ATOM 586 CB ALA A 63 11.499 7.644 -12.681 1.00 0.00 C ATOM 0 H ALA A 63 13.040 6.497 -14.398 1.00 0.00 H new ATOM 0 HA ALA A 63 13.441 8.462 -12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.078 7.905 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.260 8.425 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.076 6.698 -13.017 1.00 0.00 H new ATOM 592 N THR A 64 12.616 6.430 -10.405 1.00 0.00 N ATOM 593 CA THR A 64 12.829 5.462 -9.316 1.00 0.00 C ATOM 594 C THR A 64 14.315 5.272 -9.004 1.00 0.00 C ATOM 595 O THR A 64 14.764 4.172 -8.681 1.00 0.00 O ATOM 596 CB THR A 64 12.199 4.102 -9.653 1.00 0.00 C ATOM 597 OG1 THR A 64 12.403 3.209 -8.568 1.00 0.00 O ATOM 598 CG2 THR A 64 12.833 3.518 -10.916 1.00 0.00 C ATOM 0 H THR A 64 11.853 7.085 -10.234 1.00 0.00 H new ATOM 0 HA THR A 64 12.342 5.874 -8.432 1.00 0.00 H new ATOM 0 HB THR A 64 11.132 4.240 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.364 3.104 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.375 2.555 -11.141 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.673 4.199 -11.752 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.903 3.383 -10.757 1.00 0.00 H new ATOM 606 N ALA A 65 15.068 6.365 -9.097 1.00 0.00 N ATOM 607 CA ALA A 65 16.500 6.320 -8.815 1.00 0.00 C ATOM 608 C ALA A 65 16.806 7.118 -7.553 1.00 0.00 C ATOM 609 O ALA A 65 17.409 6.610 -6.607 1.00 0.00 O ATOM 610 CB ALA A 65 17.296 6.906 -9.983 1.00 0.00 C ATOM 0 H ALA A 65 14.715 7.284 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 65 16.789 5.279 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.361 6.864 -9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.095 6.329 -10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.999 7.943 -10.142 1.00 0.00 H new ATOM 616 N GLY A 66 16.375 8.376 -7.551 1.00 0.00 N ATOM 617 CA GLY A 66 16.596 9.249 -6.400 1.00 0.00 C ATOM 618 C GLY A 66 15.278 9.546 -5.688 1.00 0.00 C ATOM 619 O GLY A 66 15.242 9.734 -4.473 1.00 0.00 O ATOM 0 H GLY A 66 15.875 8.812 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.291 8.776 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.057 10.181 -6.727 1.00 0.00 H new ATOM 623 N ILE A 67 14.195 9.585 -6.462 1.00 0.00 N ATOM 624 CA ILE A 67 12.874 9.859 -5.901 1.00 0.00 C ATOM 625 C ILE A 67 12.373 8.650 -5.124 1.00 0.00 C ATOM 626 O ILE A 67 11.786 8.777 -4.049 1.00 0.00 O ATOM 627 CB ILE A 67 11.868 10.183 -7.015 1.00 0.00 C ATOM 628 CG1 ILE A 67 12.462 11.218 -7.988 1.00 0.00 C ATOM 629 CG2 ILE A 67 10.585 10.744 -6.399 1.00 0.00 C ATOM 630 CD1 ILE A 67 12.868 12.485 -7.228 1.00 0.00 C ATOM 0 H ILE A 67 14.205 9.432 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 67 12.963 10.717 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 67 11.644 9.268 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.329 10.795 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 67 11.731 11.465 -8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.872 10.974 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 67 10.153 10.006 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.815 11.653 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.287 13.210 -7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.992 12.914 -6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.615 12.234 -6.475 1.00 0.00 H new ATOM 642 N GLU A 68 12.614 7.474 -5.690 1.00 0.00 N ATOM 643 CA GLU A 68 12.192 6.221 -5.063 1.00 0.00 C ATOM 644 C GLU A 68 10.668 6.137 -4.962 1.00 0.00 C ATOM 645 O GLU A 68 10.132 5.387 -4.146 1.00 0.00 O ATOM 646 CB GLU A 68 12.790 6.089 -3.659 1.00 0.00 C ATOM 647 CG GLU A 68 13.010 4.611 -3.334 1.00 0.00 C ATOM 648 CD GLU A 68 12.892 4.398 -1.829 1.00 0.00 C ATOM 649 OE1 GLU A 68 11.858 4.741 -1.280 1.00 0.00 O ATOM 650 OE2 GLU A 68 13.838 3.894 -1.246 1.00 0.00 O ATOM 0 H GLU A 68 13.098 7.358 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 68 12.553 5.408 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.735 6.629 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.122 6.538 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.275 3.999 -3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.993 4.294 -3.681 1.00 0.00 H new ATOM 657 N LYS A 69 9.970 6.903 -5.802 1.00 0.00 N ATOM 658 CA LYS A 69 8.507 6.888 -5.790 1.00 0.00 C ATOM 659 C LYS A 69 7.935 6.777 -7.210 1.00 0.00 C ATOM 660 O LYS A 69 6.724 6.885 -7.405 1.00 0.00 O ATOM 661 CB LYS A 69 7.958 8.162 -5.141 1.00 0.00 C ATOM 662 CG LYS A 69 8.608 8.368 -3.771 1.00 0.00 C ATOM 663 CD LYS A 69 8.461 9.832 -3.353 1.00 0.00 C ATOM 664 CE LYS A 69 8.588 9.946 -1.833 1.00 0.00 C ATOM 665 NZ LYS A 69 7.984 11.230 -1.378 1.00 0.00 N ATOM 0 H LYS A 69 10.386 7.532 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 69 8.202 6.015 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.157 9.022 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.876 8.089 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.138 7.719 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.662 8.094 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.226 10.438 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.495 10.218 -3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.087 9.106 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.637 9.902 -1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.070 11.307 -0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.480 12.026 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.979 11.254 -1.644 1.00 0.00 H new ATOM 679 N ASP A 70 8.805 6.564 -8.202 1.00 0.00 N ATOM 680 CA ASP A 70 8.349 6.449 -9.584 1.00 0.00 C ATOM 681 C ASP A 70 8.320 4.987 -10.019 1.00 0.00 C ATOM 682 O ASP A 70 8.533 4.669 -11.189 1.00 0.00 O ATOM 683 CB ASP A 70 9.279 7.225 -10.518 1.00 0.00 C ATOM 684 CG ASP A 70 8.490 7.742 -11.717 1.00 0.00 C ATOM 685 OD1 ASP A 70 7.552 7.074 -12.122 1.00 0.00 O ATOM 686 OD2 ASP A 70 8.835 8.802 -12.215 1.00 0.00 O ATOM 0 H ASP A 70 9.813 6.469 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 70 7.343 6.864 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.734 8.059 -9.983 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.091 6.581 -10.855 1.00 0.00 H new ATOM 691 N THR A 71 8.052 4.098 -9.066 1.00 0.00 N ATOM 692 CA THR A 71 7.998 2.668 -9.366 1.00 0.00 C ATOM 693 C THR A 71 6.582 2.140 -9.172 1.00 0.00 C ATOM 694 O THR A 71 6.062 2.110 -8.057 1.00 0.00 O ATOM 695 CB THR A 71 8.950 1.892 -8.451 1.00 0.00 C ATOM 696 OG1 THR A 71 10.013 2.743 -8.046 1.00 0.00 O ATOM 697 CG2 THR A 71 9.516 0.687 -9.204 1.00 0.00 C ATOM 0 H THR A 71 7.871 4.337 -8.091 1.00 0.00 H new ATOM 0 HA THR A 71 8.300 2.529 -10.404 1.00 0.00 H new ATOM 0 HB THR A 71 8.407 1.545 -7.572 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.868 2.352 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.193 0.136 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.699 0.035 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.059 1.030 -10.084 1.00 0.00 H new ATOM 705 N ASP A 72 5.959 1.725 -10.273 1.00 0.00 N ATOM 706 CA ASP A 72 4.596 1.202 -10.210 1.00 0.00 C ATOM 707 C ASP A 72 4.611 -0.322 -10.115 1.00 0.00 C ATOM 708 O ASP A 72 4.086 -0.901 -9.165 1.00 0.00 O ATOM 709 CB ASP A 72 3.792 1.622 -11.445 1.00 0.00 C ATOM 710 CG ASP A 72 3.958 3.121 -11.688 1.00 0.00 C ATOM 711 OD1 ASP A 72 3.271 3.887 -11.033 1.00 0.00 O ATOM 712 OD2 ASP A 72 4.770 3.479 -12.525 1.00 0.00 O ATOM 0 H ASP A 72 6.369 1.740 -11.207 1.00 0.00 H new ATOM 0 HA ASP A 72 4.123 1.616 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.131 1.064 -12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.738 1.382 -11.303 1.00 0.00 H new ATOM 717 N ILE A 73 5.221 -0.972 -11.111 1.00 0.00 N ATOM 718 CA ILE A 73 5.298 -2.437 -11.126 1.00 0.00 C ATOM 719 C ILE A 73 5.949 -2.955 -9.844 1.00 0.00 C ATOM 720 O ILE A 73 7.167 -2.898 -9.683 1.00 0.00 O ATOM 721 CB ILE A 73 6.121 -2.930 -12.324 1.00 0.00 C ATOM 722 CG1 ILE A 73 5.667 -2.216 -13.608 1.00 0.00 C ATOM 723 CG2 ILE A 73 5.926 -4.441 -12.482 1.00 0.00 C ATOM 724 CD1 ILE A 73 6.723 -1.192 -14.033 1.00 0.00 C ATOM 0 H ILE A 73 5.664 -0.515 -11.908 1.00 0.00 H new ATOM 0 HA ILE A 73 4.279 -2.816 -11.203 1.00 0.00 H new ATOM 0 HB ILE A 73 7.174 -2.709 -12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.512 -2.944 -14.404 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.712 -1.719 -13.440 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.509 -4.796 -13.332 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.259 -4.948 -11.576 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.871 -4.656 -12.650 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.396 -0.689 -14.943 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.856 -0.456 -13.240 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.669 -1.701 -14.219 1.00 0.00 H new ATOM 736 N ASN A 74 5.120 -3.461 -8.936 1.00 0.00 N ATOM 737 CA ASN A 74 5.625 -3.987 -7.670 1.00 0.00 C ATOM 738 C ASN A 74 5.613 -5.512 -7.682 1.00 0.00 C ATOM 739 O ASN A 74 6.468 -6.159 -7.079 1.00 0.00 O ATOM 740 CB ASN A 74 4.767 -3.490 -6.503 1.00 0.00 C ATOM 741 CG ASN A 74 5.203 -2.081 -6.116 1.00 0.00 C ATOM 742 OD1 ASN A 74 6.137 -1.907 -5.333 1.00 0.00 O ATOM 743 ND2 ASN A 74 4.577 -1.055 -6.623 1.00 0.00 N ATOM 0 H ASN A 74 4.108 -3.518 -9.049 1.00 0.00 H new ATOM 0 HA ASN A 74 6.648 -3.634 -7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.714 -3.492 -6.785 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.870 -4.161 -5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.861 -0.108 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.803 -1.199 -7.272 1.00 0.00 H new ATOM 750 N GLY A 75 4.630 -6.078 -8.376 1.00 0.00 N ATOM 751 CA GLY A 75 4.511 -7.531 -8.463 1.00 0.00 C ATOM 752 C GLY A 75 5.669 -8.122 -9.261 1.00 0.00 C ATOM 753 O GLY A 75 6.183 -7.501 -10.191 1.00 0.00 O ATOM 0 H GLY A 75 3.911 -5.560 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.497 -7.960 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.565 -7.795 -8.936 1.00 0.00 H new ATOM 757 N LYS A 76 6.072 -9.334 -8.886 1.00 0.00 N ATOM 758 CA LYS A 76 7.170 -10.009 -9.573 1.00 0.00 C ATOM 759 C LYS A 76 6.812 -10.247 -11.036 1.00 0.00 C ATOM 760 O LYS A 76 7.551 -9.864 -11.943 1.00 0.00 O ATOM 761 CB LYS A 76 7.471 -11.352 -8.907 1.00 0.00 C ATOM 762 CG LYS A 76 8.756 -11.938 -9.495 1.00 0.00 C ATOM 763 CD LYS A 76 8.936 -13.374 -8.999 1.00 0.00 C ATOM 764 CE LYS A 76 10.315 -13.892 -9.415 1.00 0.00 C ATOM 765 NZ LYS A 76 10.403 -13.929 -10.903 1.00 0.00 N ATOM 0 H LYS A 76 5.660 -9.864 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 76 8.051 -9.370 -9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.579 -11.220 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.641 -12.041 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.711 -11.921 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.612 -11.331 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.835 -13.410 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.156 -14.013 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.095 -13.247 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.480 -14.888 -9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.749 -14.861 -11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.462 -13.759 -11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.060 -13.192 -11.230 1.00 0.00 H new ATOM 779 N TYR A 77 5.665 -10.884 -11.253 1.00 0.00 N ATOM 780 CA TYR A 77 5.205 -11.170 -12.609 1.00 0.00 C ATOM 781 C TYR A 77 3.682 -11.218 -12.646 1.00 0.00 C ATOM 782 O TYR A 77 3.081 -12.123 -13.226 1.00 0.00 O ATOM 783 CB TYR A 77 5.775 -12.505 -13.100 1.00 0.00 C ATOM 784 CG TYR A 77 7.100 -12.260 -13.782 1.00 0.00 C ATOM 785 CD1 TYR A 77 7.173 -11.388 -14.875 1.00 0.00 C ATOM 786 CD2 TYR A 77 8.256 -12.903 -13.321 1.00 0.00 C ATOM 787 CE1 TYR A 77 8.401 -11.158 -15.506 1.00 0.00 C ATOM 788 CE2 TYR A 77 9.484 -12.673 -13.953 1.00 0.00 C ATOM 789 CZ TYR A 77 9.558 -11.801 -15.046 1.00 0.00 C ATOM 790 OH TYR A 77 10.770 -11.573 -15.667 1.00 0.00 O ATOM 0 H TYR A 77 5.041 -11.210 -10.515 1.00 0.00 H new ATOM 0 HA TYR A 77 5.556 -10.375 -13.266 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.905 -13.189 -12.261 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.079 -12.979 -13.792 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.282 -10.893 -15.231 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.200 -13.576 -12.478 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.457 -10.484 -16.348 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.375 -13.169 -13.597 1.00 0.00 H new ATOM 0 HH TYR A 77 11.469 -12.096 -15.222 1.00 0.00 H new ATOM 800 N VAL A 78 3.068 -10.220 -12.020 1.00 0.00 N ATOM 801 CA VAL A 78 1.612 -10.129 -11.984 1.00 0.00 C ATOM 802 C VAL A 78 1.159 -8.663 -12.075 1.00 0.00 C ATOM 803 O VAL A 78 0.026 -8.324 -11.730 1.00 0.00 O ATOM 804 CB VAL A 78 1.085 -10.768 -10.690 1.00 0.00 C ATOM 805 CG1 VAL A 78 1.576 -9.981 -9.471 1.00 0.00 C ATOM 806 CG2 VAL A 78 -0.446 -10.789 -10.705 1.00 0.00 C ATOM 0 H VAL A 78 3.552 -9.466 -11.533 1.00 0.00 H new ATOM 0 HA VAL A 78 1.205 -10.666 -12.841 1.00 0.00 H new ATOM 0 HB VAL A 78 1.460 -11.790 -10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.195 -10.445 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.666 -9.984 -9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.217 -8.954 -9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.813 -11.243 -9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.823 -9.769 -10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.794 -11.369 -11.560 1.00 0.00 H new ATOM 816 N ALA A 79 2.054 -7.795 -12.550 1.00 0.00 N ATOM 817 CA ALA A 79 1.729 -6.380 -12.683 1.00 0.00 C ATOM 818 C ALA A 79 2.704 -5.699 -13.640 1.00 0.00 C ATOM 819 O ALA A 79 3.908 -5.954 -13.605 1.00 0.00 O ATOM 820 CB ALA A 79 1.795 -5.682 -11.323 1.00 0.00 C ATOM 0 H ALA A 79 2.998 -8.046 -12.845 1.00 0.00 H new ATOM 0 HA ALA A 79 0.716 -6.304 -13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.549 -4.627 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.082 -6.145 -10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.801 -5.776 -10.914 1.00 0.00 H new ATOM 826 N LYS A 80 2.174 -4.824 -14.484 1.00 0.00 N ATOM 827 CA LYS A 80 3.008 -4.102 -15.439 1.00 0.00 C ATOM 828 C LYS A 80 2.487 -2.674 -15.600 1.00 0.00 C ATOM 829 O LYS A 80 2.044 -2.263 -16.673 1.00 0.00 O ATOM 830 CB LYS A 80 3.023 -4.821 -16.801 1.00 0.00 C ATOM 831 CG LYS A 80 4.469 -5.100 -17.224 1.00 0.00 C ATOM 832 CD LYS A 80 4.494 -6.252 -18.230 1.00 0.00 C ATOM 833 CE LYS A 80 5.823 -6.242 -18.985 1.00 0.00 C ATOM 834 NZ LYS A 80 5.953 -7.495 -19.780 1.00 0.00 N ATOM 0 H LYS A 80 1.180 -4.597 -14.528 1.00 0.00 H new ATOM 0 HA LYS A 80 4.029 -4.071 -15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.467 -5.756 -16.735 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.527 -4.207 -17.552 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.908 -4.206 -17.668 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.072 -5.352 -16.352 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.365 -7.203 -17.713 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.665 -6.155 -18.931 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.873 -5.375 -19.643 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.652 -6.157 -18.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.857 -7.488 -20.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.924 -8.316 -19.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.169 -7.557 -20.460 1.00 0.00 H new ATOM 848 N VAL A 81 2.542 -1.925 -14.504 1.00 0.00 N ATOM 849 CA VAL A 81 2.071 -0.544 -14.509 1.00 0.00 C ATOM 850 C VAL A 81 3.211 0.408 -14.866 1.00 0.00 C ATOM 851 O VAL A 81 4.384 0.107 -14.651 1.00 0.00 O ATOM 852 CB VAL A 81 1.514 -0.167 -13.134 1.00 0.00 C ATOM 853 CG1 VAL A 81 0.854 1.213 -13.207 1.00 0.00 C ATOM 854 CG2 VAL A 81 0.477 -1.212 -12.689 1.00 0.00 C ATOM 0 H VAL A 81 2.905 -2.247 -13.607 1.00 0.00 H new ATOM 0 HA VAL A 81 1.282 -0.458 -15.256 1.00 0.00 H new ATOM 0 HB VAL A 81 2.330 -0.140 -12.412 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.458 1.479 -12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.593 1.954 -13.514 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.041 1.190 -13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.083 -0.940 -11.710 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.338 -1.246 -13.411 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.950 -2.192 -12.630 1.00 0.00 H new ATOM 864 N THR A 82 2.852 1.563 -15.420 1.00 0.00 N ATOM 865 CA THR A 82 3.853 2.555 -15.807 1.00 0.00 C ATOM 866 C THR A 82 3.209 3.929 -15.948 1.00 0.00 C ATOM 867 O THR A 82 1.994 4.048 -16.093 1.00 0.00 O ATOM 868 CB THR A 82 4.503 2.165 -17.136 1.00 0.00 C ATOM 869 OG1 THR A 82 4.945 0.816 -17.066 1.00 0.00 O ATOM 870 CG2 THR A 82 5.696 3.079 -17.416 1.00 0.00 C ATOM 0 H THR A 82 1.887 1.834 -15.610 1.00 0.00 H new ATOM 0 HA THR A 82 4.616 2.591 -15.029 1.00 0.00 H new ATOM 0 HB THR A 82 3.774 2.270 -17.940 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.118 0.576 -16.132 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.156 2.797 -18.363 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.357 4.113 -17.470 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.427 2.979 -16.614 1.00 0.00 H new ATOM 878 N THR A 83 4.040 4.965 -15.898 1.00 0.00 N ATOM 879 CA THR A 83 3.544 6.330 -16.011 1.00 0.00 C ATOM 880 C THR A 83 3.494 6.767 -17.471 1.00 0.00 C ATOM 881 O THR A 83 4.150 6.188 -18.336 1.00 0.00 O ATOM 882 CB THR A 83 4.450 7.289 -15.230 1.00 0.00 C ATOM 883 OG1 THR A 83 3.975 8.621 -15.382 1.00 0.00 O ATOM 884 CG2 THR A 83 5.888 7.190 -15.752 1.00 0.00 C ATOM 0 H THR A 83 5.050 4.886 -15.781 1.00 0.00 H new ATOM 0 HA THR A 83 2.537 6.358 -15.596 1.00 0.00 H new ATOM 0 HB THR A 83 4.436 7.017 -14.175 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.492 9.075 -16.080 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.526 7.874 -15.193 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.251 6.170 -15.626 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.910 7.455 -16.809 1.00 0.00 H new ATOM 892 N GLY A 84 2.701 7.798 -17.726 1.00 0.00 N ATOM 893 CA GLY A 84 2.554 8.325 -19.078 1.00 0.00 C ATOM 894 C GLY A 84 1.518 9.443 -19.111 1.00 0.00 C ATOM 895 O GLY A 84 0.697 9.573 -18.203 1.00 0.00 O ATOM 0 H GLY A 84 2.151 8.285 -17.019 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.513 8.701 -19.433 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.255 7.525 -19.755 1.00 0.00 H new ATOM 899 N GLY A 85 1.564 10.249 -20.168 1.00 0.00 N ATOM 900 CA GLY A 85 0.620 11.354 -20.308 1.00 0.00 C ATOM 901 C GLY A 85 1.317 12.604 -20.832 1.00 0.00 C ATOM 902 O GLY A 85 2.474 12.560 -21.253 1.00 0.00 O ATOM 0 H GLY A 85 2.235 10.160 -20.931 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.182 11.068 -20.989 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.159 11.568 -19.344 1.00 0.00 H new ATOM 906 N THR A 86 0.597 13.720 -20.799 1.00 0.00 N ATOM 907 CA THR A 86 1.141 14.989 -21.268 1.00 0.00 C ATOM 908 C THR A 86 0.511 16.140 -20.493 1.00 0.00 C ATOM 909 O THR A 86 -0.527 16.677 -20.881 1.00 0.00 O ATOM 910 CB THR A 86 0.858 15.175 -22.760 1.00 0.00 C ATOM 911 OG1 THR A 86 1.313 14.032 -23.472 1.00 0.00 O ATOM 912 CG2 THR A 86 1.589 16.418 -23.266 1.00 0.00 C ATOM 0 H THR A 86 -0.361 13.772 -20.454 1.00 0.00 H new ATOM 0 HA THR A 86 2.219 14.982 -21.107 1.00 0.00 H new ATOM 0 HB THR A 86 -0.214 15.297 -22.916 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.131 14.148 -24.428 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.388 16.551 -24.329 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.240 17.293 -22.718 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.661 16.297 -23.112 1.00 0.00 H new ATOM 920 N ALA A 87 1.147 16.507 -19.386 1.00 0.00 N ATOM 921 CA ALA A 87 0.641 17.592 -18.554 1.00 0.00 C ATOM 922 C ALA A 87 1.752 18.582 -18.220 1.00 0.00 C ATOM 923 O ALA A 87 2.877 18.467 -18.704 1.00 0.00 O ATOM 924 CB ALA A 87 0.059 17.041 -17.252 1.00 0.00 C ATOM 0 H ALA A 87 2.006 16.074 -19.046 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.140 18.104 -19.116 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.314 17.864 -16.643 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.760 16.358 -17.480 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.835 16.507 -16.704 1.00 0.00 H new ATOM 930 N ALA A 88 1.409 19.565 -17.385 1.00 0.00 N ATOM 931 CA ALA A 88 2.353 20.605 -16.966 1.00 0.00 C ATOM 932 C ALA A 88 1.553 21.749 -16.367 1.00 0.00 C ATOM 933 O ALA A 88 1.380 22.804 -16.981 1.00 0.00 O ATOM 934 CB ALA A 88 3.184 21.135 -18.147 1.00 0.00 C ATOM 0 H ALA A 88 0.477 19.663 -16.983 1.00 0.00 H new ATOM 0 HA ALA A 88 3.046 20.178 -16.241 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.871 21.904 -17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.752 20.316 -18.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.519 21.561 -18.898 1.00 0.00 H new ATOM 940 N ALA A 89 1.025 21.511 -15.168 1.00 0.00 N ATOM 941 CA ALA A 89 0.191 22.505 -14.492 1.00 0.00 C ATOM 942 C ALA A 89 -1.181 22.534 -15.164 1.00 0.00 C ATOM 943 O ALA A 89 -1.803 23.587 -15.316 1.00 0.00 O ATOM 944 CB ALA A 89 0.828 23.907 -14.533 1.00 0.00 C ATOM 0 H ALA A 89 1.158 20.645 -14.647 1.00 0.00 H new ATOM 0 HA ALA A 89 0.094 22.223 -13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.179 24.617 -14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.799 23.880 -14.038 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.958 24.217 -15.570 1.00 0.00 H new ATOM 950 N SER A 90 -1.633 21.350 -15.578 1.00 0.00 N ATOM 951 CA SER A 90 -2.926 21.218 -16.253 1.00 0.00 C ATOM 952 C SER A 90 -3.642 19.923 -15.851 1.00 0.00 C ATOM 953 O SER A 90 -4.868 19.893 -15.741 1.00 0.00 O ATOM 954 CB SER A 90 -2.735 21.226 -17.770 1.00 0.00 C ATOM 955 OG SER A 90 -1.752 20.262 -18.123 1.00 0.00 O ATOM 0 H SER A 90 -1.127 20.473 -15.459 1.00 0.00 H new ATOM 0 HA SER A 90 -3.539 22.067 -15.948 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.678 21.001 -18.268 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.427 22.217 -18.104 1.00 0.00 H new ATOM 0 HG SER A 90 -1.628 20.263 -19.095 1.00 0.00 H new ATOM 961 N GLY A 91 -2.875 18.853 -15.633 1.00 0.00 N ATOM 962 CA GLY A 91 -3.466 17.573 -15.247 1.00 0.00 C ATOM 963 C GLY A 91 -3.702 16.696 -16.472 1.00 0.00 C ATOM 964 O GLY A 91 -4.727 16.810 -17.145 1.00 0.00 O ATOM 0 H GLY A 91 -1.858 18.847 -15.716 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.807 17.059 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.410 17.744 -14.729 1.00 0.00 H new ATOM 968 N GLY A 92 -2.740 15.821 -16.758 1.00 0.00 N ATOM 969 CA GLY A 92 -2.856 14.930 -17.910 1.00 0.00 C ATOM 970 C GLY A 92 -1.926 13.729 -17.774 1.00 0.00 C ATOM 971 O GLY A 92 -1.173 13.402 -18.691 1.00 0.00 O ATOM 0 H GLY A 92 -1.883 15.710 -16.216 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.886 14.587 -18.005 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.617 15.477 -18.822 1.00 0.00 H new ATOM 975 N CYS A 93 -1.991 13.075 -16.621 1.00 0.00 N ATOM 976 CA CYS A 93 -1.155 11.904 -16.369 1.00 0.00 C ATOM 977 C CYS A 93 -1.945 10.620 -16.582 1.00 0.00 C ATOM 978 O CYS A 93 -2.643 10.148 -15.687 1.00 0.00 O ATOM 979 CB CYS A 93 -0.618 11.928 -14.937 1.00 0.00 C ATOM 980 SG CYS A 93 1.006 12.740 -14.870 1.00 0.00 S ATOM 0 H CYS A 93 -2.608 13.331 -15.850 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.322 11.933 -17.071 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.320 12.454 -14.290 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.536 10.910 -14.557 1.00 0.00 H new ATOM 985 N THR A 94 -1.812 10.060 -17.776 1.00 0.00 N ATOM 986 CA THR A 94 -2.504 8.820 -18.111 1.00 0.00 C ATOM 987 C THR A 94 -1.613 7.618 -17.813 1.00 0.00 C ATOM 988 O THR A 94 -0.811 7.199 -18.647 1.00 0.00 O ATOM 989 CB THR A 94 -2.884 8.801 -19.594 1.00 0.00 C ATOM 990 OG1 THR A 94 -1.905 9.511 -20.340 1.00 0.00 O ATOM 991 CG2 THR A 94 -4.250 9.463 -19.782 1.00 0.00 C ATOM 0 H THR A 94 -1.235 10.441 -18.526 1.00 0.00 H new ATOM 0 HA THR A 94 -3.408 8.765 -17.504 1.00 0.00 H new ATOM 0 HB THR A 94 -2.932 7.770 -19.944 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.145 9.499 -21.290 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.519 9.449 -20.838 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.000 8.918 -19.209 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.205 10.495 -19.433 1.00 0.00 H new ATOM 999 N ILE A 95 -1.762 7.072 -16.610 1.00 0.00 N ATOM 1000 CA ILE A 95 -0.967 5.917 -16.201 1.00 0.00 C ATOM 1001 C ILE A 95 -1.743 4.632 -16.473 1.00 0.00 C ATOM 1002 O ILE A 95 -2.934 4.531 -16.181 1.00 0.00 O ATOM 1003 CB ILE A 95 -0.610 6.029 -14.709 1.00 0.00 C ATOM 1004 CG1 ILE A 95 0.276 7.262 -14.512 1.00 0.00 C ATOM 1005 CG2 ILE A 95 0.144 4.779 -14.216 1.00 0.00 C ATOM 1006 CD1 ILE A 95 -0.594 8.466 -14.165 1.00 0.00 C ATOM 0 H ILE A 95 -2.420 7.407 -15.906 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.042 5.893 -16.777 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.532 6.116 -14.134 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.998 7.080 -13.716 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.846 7.462 -15.419 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.381 4.891 -13.158 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.482 3.898 -14.356 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.067 4.663 -14.784 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.038 9.343 -14.025 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.298 8.652 -14.976 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.144 8.265 -13.246 1.00 0.00 H new ATOM 1018 N VAL A 96 -1.046 3.656 -17.042 1.00 0.00 N ATOM 1019 CA VAL A 96 -1.667 2.376 -17.364 1.00 0.00 C ATOM 1020 C VAL A 96 -1.155 1.280 -16.434 1.00 0.00 C ATOM 1021 O VAL A 96 0.047 1.155 -16.203 1.00 0.00 O ATOM 1022 CB VAL A 96 -1.359 1.981 -18.812 1.00 0.00 C ATOM 1023 CG1 VAL A 96 -2.182 0.746 -19.192 1.00 0.00 C ATOM 1024 CG2 VAL A 96 -1.709 3.143 -19.753 1.00 0.00 C ATOM 0 H VAL A 96 -0.059 3.724 -17.289 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.744 2.486 -17.236 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.297 1.752 -18.905 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.963 0.465 -20.222 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.926 -0.080 -18.529 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.244 0.973 -19.096 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.488 2.857 -20.782 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.769 3.379 -19.661 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.118 4.019 -19.485 1.00 0.00 H new ATOM 1034 N ALA A 97 -2.085 0.485 -15.913 1.00 0.00 N ATOM 1035 CA ALA A 97 -1.724 -0.608 -15.013 1.00 0.00 C ATOM 1036 C ALA A 97 -2.097 -1.946 -15.644 1.00 0.00 C ATOM 1037 O ALA A 97 -3.272 -2.228 -15.881 1.00 0.00 O ATOM 1038 CB ALA A 97 -2.454 -0.466 -13.677 1.00 0.00 C ATOM 0 H ALA A 97 -3.085 0.574 -16.095 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.649 -0.568 -14.840 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.173 -1.289 -13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.180 0.481 -13.211 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.531 -0.489 -13.846 1.00 0.00 H new ATOM 1044 N THR A 98 -1.085 -2.764 -15.925 1.00 0.00 N ATOM 1045 CA THR A 98 -1.325 -4.065 -16.543 1.00 0.00 C ATOM 1046 C THR A 98 -1.095 -5.199 -15.552 1.00 0.00 C ATOM 1047 O THR A 98 -0.415 -5.038 -14.539 1.00 0.00 O ATOM 1048 CB THR A 98 -0.399 -4.263 -17.743 1.00 0.00 C ATOM 1049 OG1 THR A 98 -0.365 -3.071 -18.514 1.00 0.00 O ATOM 1050 CG2 THR A 98 -0.916 -5.417 -18.604 1.00 0.00 C ATOM 0 H THR A 98 -0.105 -2.553 -15.738 1.00 0.00 H new ATOM 0 HA THR A 98 -2.365 -4.084 -16.869 1.00 0.00 H new ATOM 0 HB THR A 98 0.606 -4.498 -17.393 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.355 -2.492 -18.189 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.255 -5.557 -19.459 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.941 -6.331 -18.011 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.921 -5.186 -18.956 1.00 0.00 H new ATOM 1058 N MET A 99 -1.669 -6.354 -15.870 1.00 0.00 N ATOM 1059 CA MET A 99 -1.529 -7.538 -15.023 1.00 0.00 C ATOM 1060 C MET A 99 -1.359 -8.768 -15.905 1.00 0.00 C ATOM 1061 O MET A 99 -2.282 -9.168 -16.614 1.00 0.00 O ATOM 1062 CB MET A 99 -2.766 -7.729 -14.141 1.00 0.00 C ATOM 1063 CG MET A 99 -3.121 -6.408 -13.449 1.00 0.00 C ATOM 1064 SD MET A 99 -3.713 -6.732 -11.767 1.00 0.00 S ATOM 1065 CE MET A 99 -2.297 -6.024 -10.889 1.00 0.00 C ATOM 0 H MET A 99 -2.235 -6.498 -16.706 1.00 0.00 H new ATOM 0 HA MET A 99 -0.658 -7.403 -14.382 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.606 -8.070 -14.746 1.00 0.00 H new ATOM 0 HB3 MET A 99 -2.576 -8.501 -13.395 1.00 0.00 H new ATOM 0 HG2 MET A 99 -2.247 -5.758 -13.417 1.00 0.00 H new ATOM 0 HG3 MET A 99 -3.888 -5.883 -14.019 1.00 0.00 H new ATOM 0 HE1 MET A 99 -2.224 -6.470 -9.897 1.00 0.00 H new ATOM 0 HE2 MET A 99 -1.383 -6.229 -11.447 1.00 0.00 H new ATOM 0 HE3 MET A 99 -2.430 -4.946 -10.794 1.00 0.00 H new ATOM 1075 N LYS A 100 -0.166 -9.357 -15.877 1.00 0.00 N ATOM 1076 CA LYS A 100 0.101 -10.529 -16.707 1.00 0.00 C ATOM 1077 C LYS A 100 0.669 -11.671 -15.879 1.00 0.00 C ATOM 1078 O LYS A 100 1.379 -11.455 -14.900 1.00 0.00 O ATOM 1079 CB LYS A 100 1.096 -10.176 -17.808 1.00 0.00 C ATOM 1080 CG LYS A 100 0.543 -9.021 -18.653 1.00 0.00 C ATOM 1081 CD LYS A 100 -0.003 -9.568 -19.974 1.00 0.00 C ATOM 1082 CE LYS A 100 1.088 -9.498 -21.046 1.00 0.00 C ATOM 1083 NZ LYS A 100 1.268 -8.084 -21.479 1.00 0.00 N ATOM 0 H LYS A 100 0.618 -9.050 -15.301 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.845 -10.846 -17.146 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.053 -9.893 -17.370 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.279 -11.046 -18.439 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.246 -8.504 -18.108 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.328 -8.290 -18.847 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.334 -10.598 -19.844 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.873 -8.991 -20.287 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.025 -9.891 -20.652 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.815 -10.119 -21.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.704 -8.063 -22.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.342 -7.611 -21.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.883 -7.589 -20.802 1.00 0.00 H new ATOM 1097 N ALA A 101 0.350 -12.895 -16.292 1.00 0.00 N ATOM 1098 CA ALA A 101 0.835 -14.081 -15.590 1.00 0.00 C ATOM 1099 C ALA A 101 0.386 -14.061 -14.131 1.00 0.00 C ATOM 1100 O ALA A 101 1.115 -14.486 -13.233 1.00 0.00 O ATOM 1101 CB ALA A 101 2.363 -14.145 -15.643 1.00 0.00 C ATOM 0 H ALA A 101 -0.237 -13.091 -17.102 1.00 0.00 H new ATOM 0 HA ALA A 101 0.418 -14.959 -16.084 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.708 -15.034 -15.116 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.689 -14.190 -16.682 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.781 -13.257 -15.169 1.00 0.00 H new ATOM 1107 N SER A 102 -0.823 -13.553 -13.905 1.00 0.00 N ATOM 1108 CA SER A 102 -1.356 -13.473 -12.548 1.00 0.00 C ATOM 1109 C SER A 102 -1.893 -14.851 -12.109 1.00 0.00 C ATOM 1110 O SER A 102 -1.319 -15.878 -12.471 1.00 0.00 O ATOM 1111 CB SER A 102 -2.467 -12.413 -12.508 1.00 0.00 C ATOM 1112 OG SER A 102 -2.803 -12.134 -11.156 1.00 0.00 O ATOM 0 H SER A 102 -1.444 -13.196 -14.631 1.00 0.00 H new ATOM 0 HA SER A 102 -0.565 -13.184 -11.855 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.135 -11.503 -13.007 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.345 -12.770 -13.047 1.00 0.00 H new ATOM 0 HG SER A 102 -3.511 -11.457 -11.128 1.00 0.00 H new ATOM 1118 N ASP A 103 -2.989 -14.885 -11.336 1.00 0.00 N ATOM 1119 CA ASP A 103 -3.545 -16.161 -10.890 1.00 0.00 C ATOM 1120 C ASP A 103 -4.892 -15.953 -10.202 1.00 0.00 C ATOM 1121 O ASP A 103 -5.238 -16.663 -9.257 1.00 0.00 O ATOM 1122 CB ASP A 103 -2.586 -16.848 -9.915 1.00 0.00 C ATOM 1123 CG ASP A 103 -2.249 -15.893 -8.774 1.00 0.00 C ATOM 1124 OD1 ASP A 103 -1.507 -14.954 -9.014 1.00 0.00 O ATOM 1125 OD2 ASP A 103 -2.737 -16.114 -7.679 1.00 0.00 O ATOM 0 H ASP A 103 -3.495 -14.060 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.685 -16.790 -11.769 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.041 -17.757 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.675 -17.147 -10.434 1.00 0.00 H new ATOM 1130 N VAL A 104 -5.651 -14.972 -10.683 1.00 0.00 N ATOM 1131 CA VAL A 104 -6.958 -14.682 -10.097 1.00 0.00 C ATOM 1132 C VAL A 104 -8.048 -14.759 -11.161 1.00 0.00 C ATOM 1133 O VAL A 104 -7.831 -14.400 -12.319 1.00 0.00 O ATOM 1134 CB VAL A 104 -6.970 -13.286 -9.475 1.00 0.00 C ATOM 1135 CG1 VAL A 104 -6.014 -13.252 -8.280 1.00 0.00 C ATOM 1136 CG2 VAL A 104 -6.520 -12.260 -10.517 1.00 0.00 C ATOM 0 H VAL A 104 -5.390 -14.372 -11.465 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.150 -15.425 -9.323 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.979 -13.046 -9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.022 -12.257 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.334 -13.983 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.005 -13.492 -8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.528 -11.264 -10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.511 -12.500 -10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.200 -12.284 -11.369 1.00 0.00 H new ATOM 1146 N ALA A 105 -9.225 -15.230 -10.754 1.00 0.00 N ATOM 1147 CA ALA A 105 -10.349 -15.350 -11.681 1.00 0.00 C ATOM 1148 C ALA A 105 -9.984 -16.273 -12.848 1.00 0.00 C ATOM 1149 O ALA A 105 -9.008 -17.019 -12.783 1.00 0.00 O ATOM 1150 CB ALA A 105 -10.736 -13.968 -12.218 1.00 0.00 C ATOM 0 H ALA A 105 -9.425 -15.532 -9.800 1.00 0.00 H new ATOM 0 HA ALA A 105 -11.196 -15.778 -11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.574 -14.067 -12.908 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -11.024 -13.323 -11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -9.886 -13.530 -12.741 1.00 0.00 H new ATOM 1156 N THR A 106 -10.777 -16.209 -13.922 1.00 0.00 N ATOM 1157 CA THR A 106 -10.533 -17.037 -15.109 1.00 0.00 C ATOM 1158 C THR A 106 -9.087 -16.854 -15.601 1.00 0.00 C ATOM 1159 O THR A 106 -8.340 -16.056 -15.035 1.00 0.00 O ATOM 1160 CB THR A 106 -11.517 -16.660 -16.239 1.00 0.00 C ATOM 1161 OG1 THR A 106 -12.335 -15.567 -15.828 1.00 0.00 O ATOM 1162 CG2 THR A 106 -12.406 -17.862 -16.582 1.00 0.00 C ATOM 0 H THR A 106 -11.589 -15.596 -13.995 1.00 0.00 H new ATOM 0 HA THR A 106 -10.687 -18.081 -14.836 1.00 0.00 H new ATOM 0 HB THR A 106 -10.945 -16.371 -17.121 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.955 -15.333 -16.550 1.00 0.00 H new ATOM 0 HG21 THR A 106 -13.097 -17.588 -17.379 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.783 -18.693 -16.912 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.971 -18.160 -15.699 1.00 0.00 H new ATOM 1170 N PRO A 107 -8.666 -17.581 -16.652 1.00 0.00 N ATOM 1171 CA PRO A 107 -7.292 -17.451 -17.171 1.00 0.00 C ATOM 1172 C PRO A 107 -7.083 -16.182 -18.001 1.00 0.00 C ATOM 1173 O PRO A 107 -5.978 -15.910 -18.470 1.00 0.00 O ATOM 1174 CB PRO A 107 -7.135 -18.708 -18.017 1.00 0.00 C ATOM 1175 CG PRO A 107 -8.534 -19.163 -18.405 1.00 0.00 C ATOM 1176 CD PRO A 107 -9.507 -18.556 -17.390 1.00 0.00 C ATOM 0 HA PRO A 107 -6.553 -17.361 -16.375 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.537 -18.503 -18.905 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.618 -19.487 -17.457 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.778 -18.835 -19.415 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.600 -20.251 -18.398 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.349 -18.070 -17.882 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.920 -19.315 -16.726 1.00 0.00 H new ATOM 1184 N LEU A 108 -8.152 -15.395 -18.165 1.00 0.00 N ATOM 1185 CA LEU A 108 -8.060 -14.150 -18.924 1.00 0.00 C ATOM 1186 C LEU A 108 -7.023 -13.201 -18.307 1.00 0.00 C ATOM 1187 O LEU A 108 -6.559 -12.272 -18.968 1.00 0.00 O ATOM 1188 CB LEU A 108 -9.418 -13.446 -18.953 1.00 0.00 C ATOM 1189 CG LEU A 108 -10.599 -14.320 -19.382 1.00 0.00 C ATOM 1190 CD1 LEU A 108 -11.890 -13.501 -19.315 1.00 0.00 C ATOM 1191 CD2 LEU A 108 -10.378 -14.807 -20.816 1.00 0.00 C ATOM 0 H LEU A 108 -9.078 -15.597 -17.787 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.751 -14.404 -19.938 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.624 -13.048 -17.959 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.353 -12.594 -19.630 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.678 -15.178 -18.715 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.732 -14.123 -19.620 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.048 -13.153 -18.294 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.812 -12.643 -19.983 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.219 -15.430 -21.122 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.300 -13.949 -21.484 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.458 -15.390 -20.865 1.00 0.00 H new ATOM 1203 N ARG A 109 -6.664 -13.442 -17.034 1.00 0.00 N ATOM 1204 CA ARG A 109 -5.680 -12.615 -16.328 1.00 0.00 C ATOM 1205 C ARG A 109 -6.273 -11.261 -15.950 1.00 0.00 C ATOM 1206 O ARG A 109 -7.359 -10.892 -16.397 1.00 0.00 O ATOM 1207 CB ARG A 109 -4.421 -12.400 -17.171 1.00 0.00 C ATOM 1208 CG ARG A 109 -3.909 -13.749 -17.683 1.00 0.00 C ATOM 1209 CD ARG A 109 -2.531 -13.573 -18.329 1.00 0.00 C ATOM 1210 NE ARG A 109 -2.631 -13.643 -19.788 1.00 0.00 N ATOM 1211 CZ ARG A 109 -2.979 -14.770 -20.425 1.00 0.00 C ATOM 1212 NH1 ARG A 109 -3.248 -15.870 -19.764 1.00 0.00 N ATOM 1213 NH2 ARG A 109 -3.051 -14.773 -21.729 1.00 0.00 N ATOM 0 H ARG A 109 -7.044 -14.206 -16.475 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.406 -13.152 -15.420 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.642 -11.741 -18.011 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.651 -11.910 -16.575 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.846 -14.460 -16.859 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.610 -14.162 -18.408 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.105 -12.614 -18.034 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.853 -14.347 -17.968 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.429 -12.808 -20.337 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.194 -15.879 -18.745 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.511 -16.717 -20.268 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -2.843 -13.923 -22.253 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.315 -15.625 -22.223 1.00 0.00 H new ATOM 1227 N GLY A 110 -5.547 -10.535 -15.102 1.00 0.00 N ATOM 1228 CA GLY A 110 -6.000 -9.226 -14.637 1.00 0.00 C ATOM 1229 C GLY A 110 -6.251 -8.269 -15.799 1.00 0.00 C ATOM 1230 O GLY A 110 -7.195 -7.482 -15.765 1.00 0.00 O ATOM 0 H GLY A 110 -4.646 -10.829 -14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.916 -9.343 -14.058 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.252 -8.799 -13.969 1.00 0.00 H new ATOM 1234 N LYS A 111 -5.387 -8.331 -16.820 1.00 0.00 N ATOM 1235 CA LYS A 111 -5.503 -7.457 -17.994 1.00 0.00 C ATOM 1236 C LYS A 111 -4.946 -6.074 -17.647 1.00 0.00 C ATOM 1237 O LYS A 111 -4.099 -5.953 -16.762 1.00 0.00 O ATOM 1238 CB LYS A 111 -6.960 -7.347 -18.485 1.00 0.00 C ATOM 1239 CG LYS A 111 -7.595 -8.737 -18.551 1.00 0.00 C ATOM 1240 CD LYS A 111 -8.677 -8.749 -19.632 1.00 0.00 C ATOM 1241 CE LYS A 111 -9.348 -10.123 -19.669 1.00 0.00 C ATOM 1242 NZ LYS A 111 -10.724 -9.988 -20.223 1.00 0.00 N ATOM 0 H LYS A 111 -4.599 -8.978 -16.857 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.925 -7.894 -18.808 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.532 -6.708 -17.812 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.987 -6.879 -19.469 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.835 -9.486 -18.773 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.027 -8.998 -17.585 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.418 -7.976 -19.428 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.238 -8.521 -20.603 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.763 -10.809 -20.282 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.388 -10.547 -18.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.420 -10.166 -19.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.855 -9.026 -20.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.859 -10.678 -20.989 1.00 0.00 H new ATOM 1256 N THR A 112 -5.397 -5.032 -18.350 1.00 0.00 N ATOM 1257 CA THR A 112 -4.885 -3.690 -18.082 1.00 0.00 C ATOM 1258 C THR A 112 -6.005 -2.703 -17.768 1.00 0.00 C ATOM 1259 O THR A 112 -7.143 -2.852 -18.214 1.00 0.00 O ATOM 1260 CB THR A 112 -4.093 -3.179 -19.285 1.00 0.00 C ATOM 1261 OG1 THR A 112 -3.357 -4.252 -19.855 1.00 0.00 O ATOM 1262 CG2 THR A 112 -3.133 -2.078 -18.840 1.00 0.00 C ATOM 0 H THR A 112 -6.097 -5.089 -19.090 1.00 0.00 H new ATOM 0 HA THR A 112 -4.238 -3.762 -17.208 1.00 0.00 H new ATOM 0 HB THR A 112 -4.782 -2.775 -20.027 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.850 -3.927 -20.628 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.570 -1.716 -19.701 1.00 0.00 H new ATOM 0 HG22 THR A 112 -3.700 -1.255 -18.405 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.443 -2.476 -18.096 1.00 0.00 H new ATOM 1270 N LEU A 113 -5.643 -1.680 -16.997 1.00 0.00 N ATOM 1271 CA LEU A 113 -6.582 -0.631 -16.607 1.00 0.00 C ATOM 1272 C LEU A 113 -5.844 0.703 -16.550 1.00 0.00 C ATOM 1273 O LEU A 113 -4.872 0.859 -15.812 1.00 0.00 O ATOM 1274 CB LEU A 113 -7.200 -0.942 -15.235 1.00 0.00 C ATOM 1275 CG LEU A 113 -8.707 -1.219 -15.258 1.00 0.00 C ATOM 1276 CD1 LEU A 113 -8.951 -2.725 -15.387 1.00 0.00 C ATOM 1277 CD2 LEU A 113 -9.342 -0.714 -13.959 1.00 0.00 C ATOM 0 H LEU A 113 -4.700 -1.555 -16.628 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.385 -0.580 -17.342 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.692 -1.808 -14.811 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.009 -0.102 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 113 -9.154 -0.703 -16.108 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.023 -2.920 -15.403 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -8.502 -3.088 -16.311 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.501 -3.240 -14.538 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.414 -0.912 -13.977 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.892 -1.229 -13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.173 0.359 -13.864 1.00 0.00 H new ATOM 1289 N THR A 114 -6.301 1.656 -17.353 1.00 0.00 N ATOM 1290 CA THR A 114 -5.658 2.965 -17.398 1.00 0.00 C ATOM 1291 C THR A 114 -6.508 4.025 -16.695 1.00 0.00 C ATOM 1292 O THR A 114 -7.737 4.009 -16.757 1.00 0.00 O ATOM 1293 CB THR A 114 -5.415 3.380 -18.858 1.00 0.00 C ATOM 1294 OG1 THR A 114 -4.638 2.381 -19.503 1.00 0.00 O ATOM 1295 CG2 THR A 114 -4.668 4.716 -18.912 1.00 0.00 C ATOM 0 H THR A 114 -7.103 1.551 -17.974 1.00 0.00 H new ATOM 0 HA THR A 114 -4.704 2.890 -16.875 1.00 0.00 H new ATOM 0 HB THR A 114 -6.375 3.491 -19.362 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.615 2.556 -20.467 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.502 4.998 -19.952 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.261 5.485 -18.417 1.00 0.00 H new ATOM 0 HG23 THR A 114 -3.708 4.617 -18.406 1.00 0.00 H new ATOM 1303 N LEU A 115 -5.819 4.949 -16.028 1.00 0.00 N ATOM 1304 CA LEU A 115 -6.476 6.036 -15.308 1.00 0.00 C ATOM 1305 C LEU A 115 -5.721 7.337 -15.576 1.00 0.00 C ATOM 1306 O LEU A 115 -4.519 7.320 -15.839 1.00 0.00 O ATOM 1307 CB LEU A 115 -6.466 5.768 -13.801 1.00 0.00 C ATOM 1308 CG LEU A 115 -7.355 4.613 -13.321 1.00 0.00 C ATOM 1309 CD1 LEU A 115 -8.779 4.801 -13.849 1.00 0.00 C ATOM 1310 CD2 LEU A 115 -6.789 3.276 -13.820 1.00 0.00 C ATOM 0 H LEU A 115 -4.801 4.965 -15.972 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.508 6.110 -15.651 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.440 5.563 -13.495 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.777 6.678 -13.287 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.374 4.608 -12.231 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.406 3.978 -13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.183 5.744 -13.479 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.764 4.815 -14.939 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.425 2.460 -13.476 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.759 3.278 -14.910 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.781 3.139 -13.430 1.00 0.00 H new ATOM 1322 N THR A 116 -6.424 8.467 -15.512 1.00 0.00 N ATOM 1323 CA THR A 116 -5.774 9.757 -15.757 1.00 0.00 C ATOM 1324 C THR A 116 -5.795 10.625 -14.500 1.00 0.00 C ATOM 1325 O THR A 116 -6.571 10.383 -13.578 1.00 0.00 O ATOM 1326 CB THR A 116 -6.462 10.508 -16.898 1.00 0.00 C ATOM 1327 OG1 THR A 116 -6.943 9.576 -17.856 1.00 0.00 O ATOM 1328 CG2 THR A 116 -5.460 11.452 -17.560 1.00 0.00 C ATOM 0 H THR A 116 -7.420 8.519 -15.298 1.00 0.00 H new ATOM 0 HA THR A 116 -4.740 9.553 -16.035 1.00 0.00 H new ATOM 0 HB THR A 116 -7.298 11.085 -16.504 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.385 10.057 -18.586 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.948 11.988 -18.374 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.092 12.166 -16.824 1.00 0.00 H new ATOM 0 HG23 THR A 116 -4.624 10.876 -17.956 1.00 0.00 H new ATOM 1336 N LEU A 117 -4.927 11.636 -14.476 1.00 0.00 N ATOM 1337 CA LEU A 117 -4.847 12.537 -13.328 1.00 0.00 C ATOM 1338 C LEU A 117 -5.227 13.958 -13.726 1.00 0.00 C ATOM 1339 O LEU A 117 -4.749 14.488 -14.730 1.00 0.00 O ATOM 1340 CB LEU A 117 -3.428 12.558 -12.755 1.00 0.00 C ATOM 1341 CG LEU A 117 -3.342 12.919 -11.264 1.00 0.00 C ATOM 1342 CD1 LEU A 117 -2.299 12.036 -10.572 1.00 0.00 C ATOM 1343 CD2 LEU A 117 -2.946 14.395 -11.105 1.00 0.00 C ATOM 0 H LEU A 117 -4.275 11.850 -15.231 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.544 12.168 -12.576 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.976 11.577 -12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.832 13.273 -13.323 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.317 12.754 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.244 12.298 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.585 10.989 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.325 12.192 -11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.887 14.644 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.976 14.564 -11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.694 15.026 -11.585 1.00 0.00 H new ATOM 1355 N GLY A 118 -6.088 14.571 -12.920 1.00 0.00 N ATOM 1356 CA GLY A 118 -6.525 15.939 -13.186 1.00 0.00 C ATOM 1357 C GLY A 118 -6.234 16.839 -11.990 1.00 0.00 C ATOM 1358 O GLY A 118 -7.145 17.309 -11.310 1.00 0.00 O ATOM 0 H GLY A 118 -6.494 14.148 -12.085 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -6.016 16.324 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.593 15.949 -13.404 1.00 0.00 H new ATOM 1362 N ASN A 119 -4.950 17.077 -11.741 1.00 0.00 N ATOM 1363 CA ASN A 119 -4.547 17.927 -10.622 1.00 0.00 C ATOM 1364 C ASN A 119 -4.701 19.399 -10.995 1.00 0.00 C ATOM 1365 O ASN A 119 -5.021 20.237 -10.153 1.00 0.00 O ATOM 1366 CB ASN A 119 -3.088 17.659 -10.234 1.00 0.00 C ATOM 1367 CG ASN A 119 -2.205 17.755 -11.474 1.00 0.00 C ATOM 1368 OD1 ASN A 119 -1.768 16.739 -12.015 1.00 0.00 O ATOM 1369 ND2 ASN A 119 -1.915 18.929 -11.956 1.00 0.00 N ATOM 0 H ASN A 119 -4.178 16.699 -12.290 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.191 17.694 -9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.761 18.381 -9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.996 16.670 -9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.324 19.009 -12.784 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.278 19.769 -11.506 1.00 0.00 H new ATOM 1376 N ALA A 120 -4.481 19.699 -12.273 1.00 0.00 N ATOM 1377 CA ALA A 120 -4.606 21.073 -12.768 1.00 0.00 C ATOM 1378 C ALA A 120 -3.736 22.042 -11.968 1.00 0.00 C ATOM 1379 O ALA A 120 -4.234 22.867 -11.200 1.00 0.00 O ATOM 1380 CB ALA A 120 -6.064 21.529 -12.707 1.00 0.00 C ATOM 0 H ALA A 120 -4.217 19.016 -12.983 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.263 21.079 -13.802 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.141 22.551 -13.078 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.677 20.872 -13.324 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.415 21.490 -11.676 1.00 0.00 H new ATOM 1386 N ASP A 121 -2.420 21.933 -12.168 1.00 0.00 N ATOM 1387 CA ASP A 121 -1.454 22.800 -11.482 1.00 0.00 C ATOM 1388 C ASP A 121 -1.774 22.937 -9.989 1.00 0.00 C ATOM 1389 O ASP A 121 -1.776 24.035 -9.432 1.00 0.00 O ATOM 1390 CB ASP A 121 -1.437 24.182 -12.140 1.00 0.00 C ATOM 1391 CG ASP A 121 -0.321 25.029 -11.537 1.00 0.00 C ATOM 1392 OD1 ASP A 121 0.718 24.471 -11.224 1.00 0.00 O ATOM 1393 OD2 ASP A 121 -0.521 26.225 -11.396 1.00 0.00 O ATOM 0 H ASP A 121 -1.997 21.253 -12.800 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.471 22.338 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -1.289 24.081 -13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -2.398 24.675 -11.996 1.00 0.00 H new ATOM 1398 N LYS A 122 -2.036 21.797 -9.354 1.00 0.00 N ATOM 1399 CA LYS A 122 -2.350 21.770 -7.924 1.00 0.00 C ATOM 1400 C LYS A 122 -3.694 22.445 -7.648 1.00 0.00 C ATOM 1401 O LYS A 122 -3.765 23.500 -7.017 1.00 0.00 O ATOM 1402 CB LYS A 122 -1.254 22.467 -7.107 1.00 0.00 C ATOM 1403 CG LYS A 122 -1.499 22.229 -5.616 1.00 0.00 C ATOM 1404 CD LYS A 122 -0.200 22.456 -4.840 1.00 0.00 C ATOM 1405 CE LYS A 122 0.688 21.215 -4.958 1.00 0.00 C ATOM 1406 NZ LYS A 122 0.269 20.206 -3.946 1.00 0.00 N ATOM 0 H LYS A 122 -2.038 20.881 -9.804 1.00 0.00 H new ATOM 0 HA LYS A 122 -2.407 20.724 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.274 22.083 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.251 23.536 -7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.274 22.903 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.859 21.213 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.322 23.329 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.421 22.660 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.611 20.794 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.733 21.486 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.872 19.363 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.364 20.610 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.722 19.939 -4.112 1.00 0.00 H new ATOM 1420 N GLY A 123 -4.761 21.809 -8.120 1.00 0.00 N ATOM 1421 CA GLY A 123 -6.107 22.335 -7.912 1.00 0.00 C ATOM 1422 C GLY A 123 -6.797 21.557 -6.799 1.00 0.00 C ATOM 1423 O GLY A 123 -6.753 21.945 -5.631 1.00 0.00 O ATOM 0 H GLY A 123 -4.722 20.935 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.058 23.393 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.684 22.259 -8.834 1.00 0.00 H new ATOM 1427 N SER A 124 -7.422 20.444 -7.171 1.00 0.00 N ATOM 1428 CA SER A 124 -8.103 19.602 -6.190 1.00 0.00 C ATOM 1429 C SER A 124 -8.070 18.129 -6.604 1.00 0.00 C ATOM 1430 O SER A 124 -8.878 17.328 -6.137 1.00 0.00 O ATOM 1431 CB SER A 124 -9.557 20.042 -6.022 1.00 0.00 C ATOM 1432 OG SER A 124 -10.082 19.479 -4.826 1.00 0.00 O ATOM 0 H SER A 124 -7.472 20.106 -8.132 1.00 0.00 H new ATOM 0 HA SER A 124 -7.575 19.714 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.618 21.130 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.148 19.720 -6.879 1.00 0.00 H new ATOM 0 HG SER A 124 -9.867 18.524 -4.792 1.00 0.00 H new ATOM 1438 N TYR A 125 -7.111 17.786 -7.465 1.00 0.00 N ATOM 1439 CA TYR A 125 -6.954 16.410 -7.935 1.00 0.00 C ATOM 1440 C TYR A 125 -8.221 15.894 -8.619 1.00 0.00 C ATOM 1441 O TYR A 125 -9.342 16.264 -8.275 1.00 0.00 O ATOM 1442 CB TYR A 125 -6.603 15.480 -6.772 1.00 0.00 C ATOM 1443 CG TYR A 125 -5.278 15.896 -6.179 1.00 0.00 C ATOM 1444 CD1 TYR A 125 -5.222 16.943 -5.252 1.00 0.00 C ATOM 1445 CD2 TYR A 125 -4.104 15.233 -6.559 1.00 0.00 C ATOM 1446 CE1 TYR A 125 -3.992 17.327 -4.704 1.00 0.00 C ATOM 1447 CE2 TYR A 125 -2.875 15.617 -6.011 1.00 0.00 C ATOM 1448 CZ TYR A 125 -2.818 16.665 -5.083 1.00 0.00 C ATOM 1449 OH TYR A 125 -1.606 17.043 -4.543 1.00 0.00 O ATOM 0 H TYR A 125 -6.432 18.442 -7.851 1.00 0.00 H new ATOM 0 HA TYR A 125 -6.143 16.415 -8.663 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -7.383 15.520 -6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -6.550 14.448 -7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -6.127 17.455 -4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.147 14.426 -7.275 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -3.949 18.135 -3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.970 15.105 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.894 16.481 -4.912 1.00 0.00 H new ATOM 1459 N THR A 126 -8.015 15.013 -9.590 1.00 0.00 N ATOM 1460 CA THR A 126 -9.121 14.410 -10.328 1.00 0.00 C ATOM 1461 C THR A 126 -8.633 13.135 -10.995 1.00 0.00 C ATOM 1462 O THR A 126 -7.469 13.032 -11.380 1.00 0.00 O ATOM 1463 CB THR A 126 -9.662 15.358 -11.398 1.00 0.00 C ATOM 1464 OG1 THR A 126 -9.517 16.701 -10.958 1.00 0.00 O ATOM 1465 CG2 THR A 126 -11.141 15.058 -11.645 1.00 0.00 C ATOM 0 H THR A 126 -7.091 14.699 -9.886 1.00 0.00 H new ATOM 0 HA THR A 126 -9.925 14.195 -9.625 1.00 0.00 H new ATOM 0 HB THR A 126 -9.104 15.217 -12.324 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.787 17.130 -11.451 1.00 0.00 H new ATOM 0 HG21 THR A 126 -11.527 15.734 -12.408 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.252 14.028 -11.983 1.00 0.00 H new ATOM 0 HG23 THR A 126 -11.700 15.198 -10.720 1.00 0.00 H new ATOM 1473 N TRP A 127 -9.516 12.154 -11.106 1.00 0.00 N ATOM 1474 CA TRP A 127 -9.131 10.877 -11.710 1.00 0.00 C ATOM 1475 C TRP A 127 -10.063 10.499 -12.857 1.00 0.00 C ATOM 1476 O TRP A 127 -11.266 10.328 -12.667 1.00 0.00 O ATOM 1477 CB TRP A 127 -9.171 9.728 -10.682 1.00 0.00 C ATOM 1478 CG TRP A 127 -8.747 10.195 -9.321 1.00 0.00 C ATOM 1479 CD1 TRP A 127 -7.721 11.039 -9.071 1.00 0.00 C ATOM 1480 CD2 TRP A 127 -9.323 9.855 -8.027 1.00 0.00 C ATOM 1481 NE1 TRP A 127 -7.631 11.240 -7.706 1.00 0.00 N ATOM 1482 CE2 TRP A 127 -8.597 10.531 -7.019 1.00 0.00 C ATOM 1483 CE3 TRP A 127 -10.395 9.035 -7.634 1.00 0.00 C ATOM 1484 CZ2 TRP A 127 -8.922 10.396 -5.668 1.00 0.00 C ATOM 1485 CZ3 TRP A 127 -10.726 8.897 -6.276 1.00 0.00 C ATOM 1486 CH2 TRP A 127 -9.991 9.577 -5.295 1.00 0.00 C ATOM 0 H TRP A 127 -10.486 12.209 -10.795 1.00 0.00 H new ATOM 0 HA TRP A 127 -8.115 11.013 -12.080 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.180 9.320 -10.630 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -8.517 8.921 -11.011 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -7.077 11.483 -9.816 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -6.936 11.839 -7.261 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.968 8.507 -8.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -8.351 10.921 -4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -11.551 8.264 -5.986 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -10.251 9.468 -4.252 1.00 0.00 H new ATOM 1497 N ALA A 128 -9.482 10.322 -14.041 1.00 0.00 N ATOM 1498 CA ALA A 128 -10.263 9.906 -15.203 1.00 0.00 C ATOM 1499 C ALA A 128 -10.230 8.386 -15.272 1.00 0.00 C ATOM 1500 O ALA A 128 -9.560 7.747 -14.458 1.00 0.00 O ATOM 1501 CB ALA A 128 -9.691 10.490 -16.494 1.00 0.00 C ATOM 0 H ALA A 128 -8.487 10.458 -14.220 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.285 10.270 -15.099 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.294 10.162 -17.340 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.705 11.578 -16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.665 10.147 -16.625 1.00 0.00 H new ATOM 1507 N CYS A 129 -10.953 7.794 -16.222 1.00 0.00 N ATOM 1508 CA CYS A 129 -10.966 6.335 -16.311 1.00 0.00 C ATOM 1509 C CYS A 129 -11.082 5.825 -17.746 1.00 0.00 C ATOM 1510 O CYS A 129 -11.838 6.349 -18.565 1.00 0.00 O ATOM 1511 CB CYS A 129 -12.128 5.769 -15.496 1.00 0.00 C ATOM 1512 SG CYS A 129 -11.904 3.986 -15.284 1.00 0.00 S ATOM 0 H CYS A 129 -11.518 8.281 -16.918 1.00 0.00 H new ATOM 0 HA CYS A 129 -10.010 5.996 -15.912 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -12.176 6.258 -14.523 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -13.073 5.970 -16.001 1.00 0.00 H new ATOM 1517 N THR A 130 -10.327 4.760 -18.007 1.00 0.00 N ATOM 1518 CA THR A 130 -10.316 4.096 -19.309 1.00 0.00 C ATOM 1519 C THR A 130 -9.750 2.694 -19.110 1.00 0.00 C ATOM 1520 O THR A 130 -8.556 2.454 -19.288 1.00 0.00 O ATOM 1521 CB THR A 130 -9.465 4.862 -20.328 1.00 0.00 C ATOM 1522 OG1 THR A 130 -9.268 4.052 -21.478 1.00 0.00 O ATOM 1523 CG2 THR A 130 -8.111 5.220 -19.717 1.00 0.00 C ATOM 0 H THR A 130 -9.705 4.332 -17.321 1.00 0.00 H new ATOM 0 HA THR A 130 -11.332 4.058 -19.703 1.00 0.00 H new ATOM 0 HB THR A 130 -9.981 5.780 -20.608 1.00 0.00 H new ATOM 0 HG1 THR A 130 -9.491 4.566 -22.282 1.00 0.00 H new ATOM 0 HG21 THR A 130 -7.514 5.764 -20.449 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.263 5.844 -18.836 1.00 0.00 H new ATOM 0 HG23 THR A 130 -7.589 4.307 -19.429 1.00 0.00 H new ATOM 1531 N SER A 131 -10.624 1.789 -18.684 1.00 0.00 N ATOM 1532 CA SER A 131 -10.221 0.414 -18.390 1.00 0.00 C ATOM 1533 C SER A 131 -10.075 -0.427 -19.653 1.00 0.00 C ATOM 1534 O SER A 131 -10.748 -0.208 -20.659 1.00 0.00 O ATOM 1535 CB SER A 131 -11.253 -0.243 -17.464 1.00 0.00 C ATOM 1536 OG SER A 131 -11.087 -1.659 -17.471 1.00 0.00 O ATOM 0 H SER A 131 -11.615 1.980 -18.534 1.00 0.00 H new ATOM 0 HA SER A 131 -9.247 0.460 -17.903 1.00 0.00 H new ATOM 0 HB2 SER A 131 -11.138 0.139 -16.450 1.00 0.00 H new ATOM 0 HB3 SER A 131 -12.261 0.014 -17.790 1.00 0.00 H new ATOM 0 HG SER A 131 -11.749 -2.069 -16.876 1.00 0.00 H new ATOM 1542 N ASN A 132 -9.187 -1.413 -19.556 1.00 0.00 N ATOM 1543 CA ASN A 132 -8.932 -2.331 -20.657 1.00 0.00 C ATOM 1544 C ASN A 132 -9.115 -3.764 -20.155 1.00 0.00 C ATOM 1545 O ASN A 132 -8.191 -4.582 -20.193 1.00 0.00 O ATOM 1546 CB ASN A 132 -7.504 -2.137 -21.193 1.00 0.00 C ATOM 1547 CG ASN A 132 -7.226 -3.111 -22.341 1.00 0.00 C ATOM 1548 OD1 ASN A 132 -6.127 -3.654 -22.447 1.00 0.00 O ATOM 1549 ND2 ASN A 132 -8.163 -3.366 -23.213 1.00 0.00 N ATOM 0 H ASN A 132 -8.631 -1.595 -18.721 1.00 0.00 H new ATOM 0 HA ASN A 132 -9.632 -2.132 -21.469 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -7.375 -1.111 -21.539 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -6.783 -2.296 -20.391 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -7.983 -4.014 -23.980 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -9.075 -2.917 -23.128 1.00 0.00 H new ATOM 1556 N ALA A 133 -10.321 -4.045 -19.665 1.00 0.00 N ATOM 1557 CA ALA A 133 -10.630 -5.371 -19.138 1.00 0.00 C ATOM 1558 C ALA A 133 -12.088 -5.456 -18.698 1.00 0.00 C ATOM 1559 O ALA A 133 -12.631 -4.517 -18.115 1.00 0.00 O ATOM 1560 CB ALA A 133 -9.742 -5.683 -17.935 1.00 0.00 C ATOM 0 H ALA A 133 -11.093 -3.379 -19.622 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.449 -6.093 -19.934 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.983 -6.675 -17.552 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -8.695 -5.656 -18.238 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.913 -4.941 -17.155 1.00 0.00 H new ATOM 1566 N ASP A 134 -12.707 -6.600 -18.975 1.00 0.00 N ATOM 1567 CA ASP A 134 -14.101 -6.819 -18.597 1.00 0.00 C ATOM 1568 C ASP A 134 -15.015 -5.789 -19.254 1.00 0.00 C ATOM 1569 O ASP A 134 -14.974 -4.603 -18.928 1.00 0.00 O ATOM 1570 CB ASP A 134 -14.264 -6.731 -17.079 1.00 0.00 C ATOM 1571 CG ASP A 134 -15.649 -7.234 -16.684 1.00 0.00 C ATOM 1572 OD1 ASP A 134 -15.798 -8.435 -16.525 1.00 0.00 O ATOM 1573 OD2 ASP A 134 -16.538 -6.412 -16.546 1.00 0.00 O ATOM 0 H ASP A 134 -12.270 -7.385 -19.457 1.00 0.00 H new ATOM 0 HA ASP A 134 -14.382 -7.815 -18.939 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -13.495 -7.326 -16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -14.132 -5.701 -16.748 1.00 0.00 H new ATOM 1704 N CYS A 142 -16.147 3.956 -17.187 1.00 0.00 N ATOM 1705 CA CYS A 142 -14.802 3.726 -17.707 1.00 0.00 C ATOM 1706 C CYS A 142 -14.868 3.292 -19.168 1.00 0.00 C ATOM 1707 O CYS A 142 -15.623 2.390 -19.530 1.00 0.00 O ATOM 1708 CB CYS A 142 -14.088 2.645 -16.894 1.00 0.00 C ATOM 1709 SG CYS A 142 -13.785 3.253 -15.217 1.00 0.00 S ATOM 0 HA CYS A 142 -14.245 4.660 -17.629 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -14.695 1.740 -16.860 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -13.145 2.379 -17.372 1.00 0.00 H new ATOM 1714 N GLN A 143 -14.071 3.950 -20.003 1.00 0.00 N ATOM 1715 CA GLN A 143 -14.045 3.631 -21.428 1.00 0.00 C ATOM 1716 C GLN A 143 -13.001 2.558 -21.720 1.00 0.00 C ATOM 1717 O GLN A 143 -12.349 2.042 -20.812 1.00 0.00 O ATOM 1718 CB GLN A 143 -13.720 4.883 -22.248 1.00 0.00 C ATOM 1719 CG GLN A 143 -12.402 5.487 -21.760 1.00 0.00 C ATOM 1720 CD GLN A 143 -11.868 6.456 -22.808 1.00 0.00 C ATOM 1721 OE1 GLN A 143 -12.170 7.650 -22.771 1.00 0.00 O ATOM 1722 NE2 GLN A 143 -11.085 6.011 -23.752 1.00 0.00 N ATOM 0 H GLN A 143 -13.440 4.701 -19.723 1.00 0.00 H new ATOM 0 HA GLN A 143 -15.031 3.258 -21.707 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.646 4.629 -23.305 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -14.524 5.612 -22.151 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -12.556 6.006 -20.814 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -11.674 4.697 -21.575 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.835 5.023 -23.783 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -10.723 6.651 -24.459 1.00 0.00 H new ATOM 1731 N THR A 144 -12.851 2.230 -23.000 1.00 0.00 N ATOM 1732 CA THR A 144 -11.882 1.218 -23.411 1.00 0.00 C ATOM 1733 C THR A 144 -10.631 1.879 -23.980 1.00 0.00 C ATOM 1734 O THR A 144 -10.681 2.548 -25.012 1.00 0.00 O ATOM 1735 CB THR A 144 -12.486 0.298 -24.474 1.00 0.00 C ATOM 1736 OG1 THR A 144 -13.894 0.231 -24.294 1.00 0.00 O ATOM 1737 CG2 THR A 144 -11.886 -1.103 -24.343 1.00 0.00 C ATOM 0 H THR A 144 -13.383 2.646 -23.765 1.00 0.00 H new ATOM 0 HA THR A 144 -11.616 0.631 -22.532 1.00 0.00 H new ATOM 0 HB THR A 144 -12.263 0.693 -25.465 1.00 0.00 H new ATOM 0 HG1 THR A 144 -14.283 -0.356 -24.975 1.00 0.00 H new ATOM 0 HG21 THR A 144 -12.318 -1.756 -25.101 1.00 0.00 H new ATOM 0 HG22 THR A 144 -10.806 -1.051 -24.482 1.00 0.00 H new ATOM 0 HG23 THR A 144 -12.106 -1.502 -23.353 1.00 0.00 H new ATOM 1745 N ALA A 145 -9.506 1.685 -23.293 1.00 0.00 N ATOM 1746 CA ALA A 145 -8.237 2.269 -23.736 1.00 0.00 C ATOM 1747 C ALA A 145 -7.905 1.829 -25.163 1.00 0.00 C ATOM 1748 O ALA A 145 -8.319 0.760 -25.610 1.00 0.00 O ATOM 1749 CB ALA A 145 -7.100 1.841 -22.807 1.00 0.00 C ATOM 0 H ALA A 145 -9.445 1.134 -22.436 1.00 0.00 H new ATOM 0 HA ALA A 145 -8.343 3.354 -23.710 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.164 2.283 -23.150 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.312 2.180 -21.793 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.013 0.755 -22.816 1.00 0.00 H new