USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 528 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 31 SER OG : rot 73:sc= 1.43 USER MOD Set 1.2: A 60 TYR OH : rot 63:sc= 0.145 USER MOD Set 2.1: A 15 ASN : amide:sc= -0.325 K(o=-0.76,f=0.61) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.464 K(o=-0.76,f=0.61) USER MOD Set 2.3: A 37 GLN : amide:sc= -0.177 K(o=-0.76,f=0.45) USER MOD Set 2.4: A 40 ASN : amide:sc= 0.00649 K(o=-0.76,f=0.59) USER MOD Set 2.5: A 43 CYS SG : rot 174:sc= 0.2 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 1.03 K(o=1,f=-0.045) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -89:sc= 1.27 USER MOD Single : A 13 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.2!) USER MOD Single : A 16 SER OG : rot 64:sc= 1.06 USER MOD Single : A 17 TYR OH : rot 165:sc= -0.121 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0493 (180deg=-0.324) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 23 LYS NZ :NH3+ 133:sc= 1.19 (180deg=0.219) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.15) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0737 USER MOD Single : A 41 THR OG1 : rot 21:sc= 0.868 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 161:sc= -0.123 (180deg=-0.654) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.679 K(o=0.68,f=-0.0098) USER MOD Single : A 62 ASN : amide:sc= -1.22! K(o=-1.2!,f=-0.16) USER MOD Single : A 64 ASN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 10.395 8.281 5.922 1.00 0.00 N ATOM 71 CA LYS A 5 9.207 7.913 6.690 1.00 0.00 C ATOM 72 C LYS A 5 8.118 7.361 5.775 1.00 0.00 C ATOM 73 O LYS A 5 7.569 6.289 6.025 1.00 0.00 O ATOM 74 CB LYS A 5 8.679 9.118 7.470 1.00 0.00 C ATOM 75 CG LYS A 5 7.512 8.793 8.387 1.00 0.00 C ATOM 76 CD LYS A 5 7.101 10.006 9.199 1.00 0.00 C ATOM 77 CE LYS A 5 5.994 9.671 10.182 1.00 0.00 C ATOM 78 NZ LYS A 5 5.707 10.807 11.097 1.00 0.00 N ATOM 0 HA LYS A 5 9.490 7.134 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.490 9.537 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.370 9.889 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.666 8.445 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.788 7.979 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.965 10.392 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.766 10.797 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.089 9.407 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.279 8.796 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.946 10.540 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.564 11.042 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.411 11.634 10.541 1.00 0.00 H new ATOM 92 N GLN A 6 7.823 8.094 4.705 1.00 0.00 N ATOM 93 CA GLN A 6 6.814 7.671 3.741 1.00 0.00 C ATOM 94 C GLN A 6 7.256 6.393 3.027 1.00 0.00 C ATOM 95 O GLN A 6 6.428 5.553 2.671 1.00 0.00 O ATOM 96 CB GLN A 6 6.554 8.782 2.720 1.00 0.00 C ATOM 97 CG GLN A 6 5.425 8.483 1.740 1.00 0.00 C ATOM 98 CD GLN A 6 4.081 8.294 2.421 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.347 9.255 2.650 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.748 7.054 2.750 1.00 0.00 N ATOM 0 H GLN A 6 8.269 8.984 4.484 1.00 0.00 H new ATOM 0 HA GLN A 6 5.889 7.466 4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.321 9.703 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.470 8.963 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.350 9.299 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.670 7.583 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.384 6.283 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.856 6.870 3.210 1.00 0.00 H new ATOM 109 N LYS A 7 8.564 6.254 2.835 1.00 0.00 N ATOM 110 CA LYS A 7 9.123 5.069 2.198 1.00 0.00 C ATOM 111 C LYS A 7 8.847 3.835 3.046 1.00 0.00 C ATOM 112 O LYS A 7 8.404 2.806 2.536 1.00 0.00 O ATOM 113 CB LYS A 7 10.631 5.215 1.999 1.00 0.00 C ATOM 114 CG LYS A 7 11.036 6.336 1.053 1.00 0.00 C ATOM 115 CD LYS A 7 12.549 6.417 0.934 1.00 0.00 C ATOM 116 CE LYS A 7 12.989 7.440 -0.095 1.00 0.00 C ATOM 117 NZ LYS A 7 14.468 7.462 -0.245 1.00 0.00 N ATOM 0 H LYS A 7 9.257 6.949 3.112 1.00 0.00 H new ATOM 0 HA LYS A 7 8.647 4.958 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.098 5.388 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.027 4.274 1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.597 6.165 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.643 7.285 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.975 6.674 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.943 5.438 0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.528 7.212 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.638 8.429 0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.734 8.173 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.906 7.704 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.800 6.525 -0.551 1.00 0.00 H new ATOM 131 N ALA A 8 9.116 3.951 4.343 1.00 0.00 N ATOM 132 CA ALA A 8 8.891 2.860 5.280 1.00 0.00 C ATOM 133 C ALA A 8 7.425 2.454 5.296 1.00 0.00 C ATOM 134 O ALA A 8 7.099 1.275 5.178 1.00 0.00 O ATOM 135 CB ALA A 8 9.349 3.257 6.673 1.00 0.00 C ATOM 0 H ALA A 8 9.493 4.797 4.770 1.00 0.00 H new ATOM 0 HA ALA A 8 9.477 2.001 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.174 2.431 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.413 3.494 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.789 4.131 7.005 1.00 0.00 H new ATOM 141 N ILE A 9 6.550 3.442 5.423 1.00 0.00 N ATOM 142 CA ILE A 9 5.109 3.198 5.426 1.00 0.00 C ATOM 143 C ILE A 9 4.676 2.481 4.147 1.00 0.00 C ATOM 144 O ILE A 9 4.003 1.449 4.197 1.00 0.00 O ATOM 145 CB ILE A 9 4.324 4.518 5.558 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.676 5.219 6.873 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.825 4.264 5.478 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.010 6.572 7.046 1.00 0.00 C ATOM 0 H ILE A 9 6.811 4.423 5.526 1.00 0.00 H new ATOM 0 HA ILE A 9 4.888 2.565 6.286 1.00 0.00 H new ATOM 0 HB ILE A 9 4.606 5.168 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.390 4.575 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.757 5.348 6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.290 5.209 5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.584 3.806 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.526 3.595 6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.308 7.005 8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.316 7.234 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.927 6.450 7.026 1.00 0.00 H new ATOM 160 N PHE A 10 5.083 3.028 3.010 1.00 0.00 N ATOM 161 CA PHE A 10 4.728 2.473 1.708 1.00 0.00 C ATOM 162 C PHE A 10 5.211 1.030 1.566 1.00 0.00 C ATOM 163 O PHE A 10 4.419 0.128 1.296 1.00 0.00 O ATOM 164 CB PHE A 10 5.321 3.336 0.591 1.00 0.00 C ATOM 165 CG PHE A 10 5.069 2.810 -0.797 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.838 2.988 -1.407 1.00 0.00 C ATOM 167 CD2 PHE A 10 6.068 2.146 -1.493 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.606 2.509 -2.683 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.842 1.665 -2.769 1.00 0.00 C ATOM 170 CZ PHE A 10 4.609 1.847 -3.366 1.00 0.00 C ATOM 0 H PHE A 10 5.665 3.864 2.962 1.00 0.00 H new ATOM 0 HA PHE A 10 3.641 2.473 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.908 4.342 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.397 3.421 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.051 3.507 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.034 2.003 -1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.641 2.652 -3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.628 1.148 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.430 1.473 -4.363 1.00 0.00 H new ATOM 180 N SER A 11 6.506 0.815 1.774 1.00 0.00 N ATOM 181 CA SER A 11 7.102 -0.499 1.565 1.00 0.00 C ATOM 182 C SER A 11 6.544 -1.529 2.545 1.00 0.00 C ATOM 183 O SER A 11 6.250 -2.659 2.157 1.00 0.00 O ATOM 184 CB SER A 11 8.626 -0.421 1.681 1.00 0.00 C ATOM 185 OG SER A 11 9.019 0.211 2.889 1.00 0.00 O ATOM 0 H SER A 11 7.161 1.532 2.086 1.00 0.00 H new ATOM 0 HA SER A 11 6.843 -0.824 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.048 -1.425 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.030 0.130 0.832 1.00 0.00 H new ATOM 0 HG SER A 11 9.083 1.178 2.746 1.00 0.00 H new ATOM 191 N GLU A 12 6.379 -1.135 3.805 1.00 0.00 N ATOM 192 CA GLU A 12 5.887 -2.046 4.830 1.00 0.00 C ATOM 193 C GLU A 12 4.464 -2.502 4.518 1.00 0.00 C ATOM 194 O GLU A 12 4.154 -3.695 4.578 1.00 0.00 O ATOM 195 CB GLU A 12 5.923 -1.377 6.204 1.00 0.00 C ATOM 196 CG GLU A 12 5.640 -2.333 7.348 1.00 0.00 C ATOM 197 CD GLU A 12 5.544 -1.636 8.687 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.581 -1.166 9.196 1.00 0.00 O ATOM 199 OE2 GLU A 12 4.428 -1.567 9.243 1.00 0.00 O ATOM 0 H GLU A 12 6.579 -0.192 4.139 1.00 0.00 H new ATOM 0 HA GLU A 12 6.539 -2.919 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.903 -0.923 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.191 -0.569 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.707 -2.861 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.429 -3.084 7.391 1.00 0.00 H new ATOM 206 N ASN A 13 3.605 -1.552 4.174 1.00 0.00 N ATOM 207 CA ASN A 13 2.213 -1.863 3.880 1.00 0.00 C ATOM 208 C ASN A 13 2.094 -2.628 2.570 1.00 0.00 C ATOM 209 O ASN A 13 1.347 -3.599 2.485 1.00 0.00 O ATOM 210 CB ASN A 13 1.363 -0.593 3.841 1.00 0.00 C ATOM 211 CG ASN A 13 1.178 0.011 5.220 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.167 -0.701 6.229 1.00 0.00 O ATOM 213 ND2 ASN A 13 1.023 1.322 5.274 1.00 0.00 N ATOM 0 H ASN A 13 3.846 -0.564 4.092 1.00 0.00 H new ATOM 0 HA ASN A 13 1.836 -2.498 4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.835 0.139 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.388 -0.823 3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.888 1.783 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.039 1.873 4.416 1.00 0.00 H new ATOM 220 N LEU A 14 2.854 -2.211 1.560 1.00 0.00 N ATOM 221 CA LEU A 14 2.877 -2.919 0.283 1.00 0.00 C ATOM 222 C LEU A 14 3.326 -4.361 0.491 1.00 0.00 C ATOM 223 O LEU A 14 2.724 -5.296 -0.039 1.00 0.00 O ATOM 224 CB LEU A 14 3.812 -2.217 -0.711 1.00 0.00 C ATOM 225 CG LEU A 14 3.947 -2.894 -2.079 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.614 -2.905 -2.812 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.010 -2.195 -2.913 1.00 0.00 C ATOM 0 H LEU A 14 3.459 -1.391 1.601 1.00 0.00 H new ATOM 0 HA LEU A 14 1.868 -2.915 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.454 -1.199 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.802 -2.143 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 14 4.254 -3.928 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.735 -3.391 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.879 -3.451 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.272 -1.881 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.094 -2.687 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.730 -1.152 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.969 -2.244 -2.396 1.00 0.00 H new ATOM 239 N ASN A 15 4.372 -4.529 1.290 1.00 0.00 N ATOM 240 CA ASN A 15 4.917 -5.850 1.598 1.00 0.00 C ATOM 241 C ASN A 15 3.859 -6.721 2.274 1.00 0.00 C ATOM 242 O ASN A 15 3.818 -7.934 2.074 1.00 0.00 O ATOM 243 CB ASN A 15 6.144 -5.714 2.507 1.00 0.00 C ATOM 244 CG ASN A 15 7.007 -6.960 2.530 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.796 -7.869 3.333 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.002 -6.999 1.658 1.00 0.00 N ATOM 0 H ASN A 15 4.866 -3.760 1.742 1.00 0.00 H new ATOM 0 HA ASN A 15 5.217 -6.328 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.745 -4.869 2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.814 -5.489 3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.628 -7.804 1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.142 -6.224 1.009 1.00 0.00 H new ATOM 253 N SER A 16 2.990 -6.084 3.053 1.00 0.00 N ATOM 254 CA SER A 16 1.917 -6.784 3.750 1.00 0.00 C ATOM 255 C SER A 16 0.915 -7.377 2.757 1.00 0.00 C ATOM 256 O SER A 16 0.384 -8.465 2.972 1.00 0.00 O ATOM 257 CB SER A 16 1.201 -5.832 4.712 1.00 0.00 C ATOM 258 OG SER A 16 2.106 -5.274 5.653 1.00 0.00 O ATOM 0 H SER A 16 3.009 -5.078 3.218 1.00 0.00 H new ATOM 0 HA SER A 16 2.359 -7.601 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.722 -5.033 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.411 -6.369 5.238 1.00 0.00 H new ATOM 0 HG SER A 16 2.763 -4.718 5.185 1.00 0.00 H new ATOM 264 N TYR A 17 0.667 -6.661 1.665 1.00 0.00 N ATOM 265 CA TYR A 17 -0.257 -7.136 0.643 1.00 0.00 C ATOM 266 C TYR A 17 0.401 -8.211 -0.216 1.00 0.00 C ATOM 267 O TYR A 17 -0.257 -9.151 -0.664 1.00 0.00 O ATOM 268 CB TYR A 17 -0.746 -5.974 -0.229 1.00 0.00 C ATOM 269 CG TYR A 17 -1.504 -4.919 0.544 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.714 -5.216 1.160 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.006 -3.629 0.668 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.404 -4.256 1.877 1.00 0.00 C ATOM 273 CE2 TYR A 17 -1.688 -2.664 1.387 1.00 0.00 C ATOM 274 CZ TYR A 17 -2.888 -2.982 1.988 1.00 0.00 C ATOM 275 OH TYR A 17 -3.572 -2.025 2.707 1.00 0.00 O ATOM 0 H TYR A 17 1.091 -5.755 1.466 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.121 -7.575 1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.111 -5.510 -0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.388 -6.367 -1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.122 -6.213 1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.069 -3.374 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.344 -4.503 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.283 -1.667 1.477 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.978 -1.268 2.892 1.00 0.00 H new ATOM 285 N ILE A 18 1.706 -8.073 -0.426 1.00 0.00 N ATOM 286 CA ILE A 18 2.471 -9.061 -1.181 1.00 0.00 C ATOM 287 C ILE A 18 2.494 -10.397 -0.439 1.00 0.00 C ATOM 288 O ILE A 18 2.222 -11.448 -1.018 1.00 0.00 O ATOM 289 CB ILE A 18 3.920 -8.582 -1.426 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.917 -7.270 -2.214 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.722 -9.646 -2.169 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.283 -6.630 -2.323 1.00 0.00 C ATOM 0 H ILE A 18 2.257 -7.286 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 18 1.981 -9.190 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 18 4.394 -8.410 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.531 -7.458 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.233 -6.569 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.739 -9.288 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.749 -10.561 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.252 -9.850 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.207 -5.705 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.663 -6.411 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.965 -7.313 -2.829 1.00 0.00 H new ATOM 304 N ALA A 19 2.779 -10.340 0.857 1.00 0.00 N ATOM 305 CA ALA A 19 2.861 -11.541 1.687 1.00 0.00 C ATOM 306 C ALA A 19 1.473 -12.099 1.989 1.00 0.00 C ATOM 307 O ALA A 19 1.334 -13.161 2.601 1.00 0.00 O ATOM 308 CB ALA A 19 3.606 -11.240 2.981 1.00 0.00 C ATOM 0 H ALA A 19 2.958 -9.471 1.360 1.00 0.00 H new ATOM 0 HA ALA A 19 3.413 -12.298 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.659 -12.143 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.615 -10.899 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.078 -10.462 3.533 1.00 0.00 H new ATOM 314 N LYS A 20 0.448 -11.375 1.561 1.00 0.00 N ATOM 315 CA LYS A 20 -0.927 -11.803 1.753 1.00 0.00 C ATOM 316 C LYS A 20 -1.344 -12.719 0.607 1.00 0.00 C ATOM 317 O LYS A 20 -2.263 -13.528 0.736 1.00 0.00 O ATOM 318 CB LYS A 20 -1.847 -10.585 1.820 1.00 0.00 C ATOM 319 CG LYS A 20 -3.108 -10.802 2.638 1.00 0.00 C ATOM 320 CD LYS A 20 -3.917 -9.521 2.753 1.00 0.00 C ATOM 321 CE LYS A 20 -5.073 -9.675 3.730 1.00 0.00 C ATOM 322 NZ LYS A 20 -4.603 -9.930 5.120 1.00 0.00 N ATOM 0 H LYS A 20 0.546 -10.483 1.076 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.006 -12.352 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.292 -9.748 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.129 -10.301 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.716 -11.579 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.842 -11.158 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.268 -8.709 3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.303 -9.245 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.683 -8.772 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.712 -10.497 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.378 -9.744 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.300 -10.921 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.802 -9.303 5.336 1.00 0.00 H new ATOM 336 N SER A 21 -0.650 -12.583 -0.510 1.00 0.00 N ATOM 337 CA SER A 21 -0.914 -13.395 -1.684 1.00 0.00 C ATOM 338 C SER A 21 0.165 -14.471 -1.829 1.00 0.00 C ATOM 339 O SER A 21 1.103 -14.529 -1.034 1.00 0.00 O ATOM 340 CB SER A 21 -0.959 -12.505 -2.932 1.00 0.00 C ATOM 341 OG SER A 21 -1.451 -13.215 -4.056 1.00 0.00 O ATOM 0 H SER A 21 0.108 -11.911 -0.628 1.00 0.00 H new ATOM 0 HA SER A 21 -1.880 -13.887 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.593 -11.639 -2.741 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.040 -12.127 -3.147 1.00 0.00 H new ATOM 0 HG SER A 21 -1.470 -12.621 -4.835 1.00 0.00 H new ATOM 347 N GLU A 22 0.022 -15.326 -2.835 1.00 0.00 N ATOM 348 CA GLU A 22 0.989 -16.390 -3.076 1.00 0.00 C ATOM 349 C GLU A 22 1.958 -15.981 -4.180 1.00 0.00 C ATOM 350 O GLU A 22 2.869 -16.731 -4.536 1.00 0.00 O ATOM 351 CB GLU A 22 0.298 -17.704 -3.475 1.00 0.00 C ATOM 352 CG GLU A 22 -1.192 -17.771 -3.172 1.00 0.00 C ATOM 353 CD GLU A 22 -2.024 -16.987 -4.166 1.00 0.00 C ATOM 354 OE1 GLU A 22 -2.052 -17.369 -5.353 1.00 0.00 O ATOM 355 OE2 GLU A 22 -2.645 -15.979 -3.768 1.00 0.00 O ATOM 0 H GLU A 22 -0.754 -15.303 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 22 1.532 -16.553 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.443 -17.862 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.794 -18.527 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.513 -18.813 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.373 -17.386 -2.169 1.00 0.00 H new ATOM 362 N LYS A 23 1.746 -14.792 -4.722 1.00 0.00 N ATOM 363 CA LYS A 23 2.547 -14.294 -5.823 1.00 0.00 C ATOM 364 C LYS A 23 3.894 -13.788 -5.331 1.00 0.00 C ATOM 365 O LYS A 23 3.973 -13.018 -4.375 1.00 0.00 O ATOM 366 CB LYS A 23 1.789 -13.183 -6.554 1.00 0.00 C ATOM 367 CG LYS A 23 0.879 -13.673 -7.672 1.00 0.00 C ATOM 368 CD LYS A 23 -0.076 -14.753 -7.196 1.00 0.00 C ATOM 369 CE LYS A 23 -0.950 -15.262 -8.328 1.00 0.00 C ATOM 370 NZ LYS A 23 -1.657 -16.517 -7.958 1.00 0.00 N ATOM 0 H LYS A 23 1.017 -14.150 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 23 2.733 -15.114 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.190 -12.631 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.511 -12.481 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.308 -12.834 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.486 -14.061 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.492 -15.582 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.705 -14.358 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.681 -14.498 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.336 -15.438 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.660 -16.442 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.226 -17.319 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.581 -16.669 -6.932 1.00 0.00 H new ATOM 384 N THR A 24 4.948 -14.243 -5.984 1.00 0.00 N ATOM 385 CA THR A 24 6.298 -13.829 -5.650 1.00 0.00 C ATOM 386 C THR A 24 6.596 -12.461 -6.241 1.00 0.00 C ATOM 387 O THR A 24 5.835 -11.955 -7.071 1.00 0.00 O ATOM 388 CB THR A 24 7.333 -14.841 -6.177 1.00 0.00 C ATOM 389 OG1 THR A 24 7.181 -14.995 -7.598 1.00 0.00 O ATOM 390 CG2 THR A 24 7.171 -16.189 -5.493 1.00 0.00 C ATOM 0 H THR A 24 4.893 -14.906 -6.757 1.00 0.00 H new ATOM 0 HA THR A 24 6.369 -13.781 -4.563 1.00 0.00 H new ATOM 0 HB THR A 24 8.330 -14.461 -5.955 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.842 -15.638 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.913 -16.886 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.312 -16.071 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.171 -16.578 -5.687 1.00 0.00 H new ATOM 398 N GLN A 25 7.699 -11.866 -5.815 1.00 0.00 N ATOM 399 CA GLN A 25 8.150 -10.602 -6.382 1.00 0.00 C ATOM 400 C GLN A 25 8.344 -10.731 -7.889 1.00 0.00 C ATOM 401 O GLN A 25 8.106 -9.787 -8.639 1.00 0.00 O ATOM 402 CB GLN A 25 9.450 -10.150 -5.712 1.00 0.00 C ATOM 403 CG GLN A 25 9.251 -9.643 -4.290 1.00 0.00 C ATOM 404 CD GLN A 25 10.543 -9.205 -3.626 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.685 -9.284 -2.405 1.00 0.00 O ATOM 406 NE2 GLN A 25 11.496 -8.740 -4.422 1.00 0.00 N ATOM 0 H GLN A 25 8.299 -12.237 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 25 7.385 -9.848 -6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.152 -10.984 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.904 -9.361 -6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.555 -8.804 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.791 -10.429 -3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.340 -8.690 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.385 -8.432 -4.028 1.00 0.00 H new ATOM 415 N LEU A 26 8.758 -11.913 -8.318 1.00 0.00 N ATOM 416 CA LEU A 26 8.933 -12.213 -9.720 1.00 0.00 C ATOM 417 C LEU A 26 7.589 -12.333 -10.436 1.00 0.00 C ATOM 418 O LEU A 26 7.409 -11.794 -11.531 1.00 0.00 O ATOM 419 CB LEU A 26 9.731 -13.503 -9.845 1.00 0.00 C ATOM 420 CG LEU A 26 11.248 -13.325 -9.895 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.952 -14.661 -9.727 1.00 0.00 C ATOM 422 CD2 LEU A 26 11.655 -12.679 -11.209 1.00 0.00 C ATOM 0 H LEU A 26 8.981 -12.690 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 26 9.475 -11.396 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.484 -14.148 -9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.412 -14.023 -10.748 1.00 0.00 H new ATOM 0 HG LEU A 26 11.546 -12.675 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.031 -14.511 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.680 -15.097 -8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.650 -15.335 -10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.738 -12.557 -11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.342 -13.313 -12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.178 -11.703 -11.298 1.00 0.00 H new ATOM 434 N GLU A 27 6.644 -13.030 -9.807 1.00 0.00 N ATOM 435 CA GLU A 27 5.321 -13.228 -10.376 1.00 0.00 C ATOM 436 C GLU A 27 4.551 -11.918 -10.494 1.00 0.00 C ATOM 437 O GLU A 27 3.853 -11.687 -11.484 1.00 0.00 O ATOM 438 CB GLU A 27 4.538 -14.226 -9.527 1.00 0.00 C ATOM 439 CG GLU A 27 4.946 -15.670 -9.760 1.00 0.00 C ATOM 440 CD GLU A 27 4.598 -16.152 -11.152 1.00 0.00 C ATOM 441 OE1 GLU A 27 5.238 -15.702 -12.129 1.00 0.00 O ATOM 442 OE2 GLU A 27 3.672 -16.975 -11.282 1.00 0.00 O ATOM 0 H GLU A 27 6.777 -13.469 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 27 5.446 -13.624 -11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.677 -13.983 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.475 -14.118 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.020 -15.771 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.454 -16.307 -9.025 1.00 0.00 H new ATOM 449 N ILE A 28 4.666 -11.060 -9.493 1.00 0.00 N ATOM 450 CA ILE A 28 4.010 -9.763 -9.546 1.00 0.00 C ATOM 451 C ILE A 28 4.702 -8.866 -10.569 1.00 0.00 C ATOM 452 O ILE A 28 4.042 -8.162 -11.336 1.00 0.00 O ATOM 453 CB ILE A 28 3.992 -9.066 -8.167 1.00 0.00 C ATOM 454 CG1 ILE A 28 3.336 -9.974 -7.124 1.00 0.00 C ATOM 455 CG2 ILE A 28 3.243 -7.741 -8.255 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.353 -9.406 -5.722 1.00 0.00 C ATOM 0 H ILE A 28 5.201 -11.235 -8.643 1.00 0.00 H new ATOM 0 HA ILE A 28 2.976 -9.933 -9.846 1.00 0.00 H new ATOM 0 HB ILE A 28 5.020 -8.868 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.303 -10.161 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.847 -10.937 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.238 -7.260 -7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.738 -7.091 -8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.217 -7.923 -8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.871 -10.106 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.384 -9.245 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.817 -8.457 -5.707 1.00 0.00 H new ATOM 468 N ALA A 29 6.032 -8.929 -10.604 1.00 0.00 N ATOM 469 CA ALA A 29 6.816 -8.132 -11.544 1.00 0.00 C ATOM 470 C ALA A 29 6.414 -8.424 -12.985 1.00 0.00 C ATOM 471 O ALA A 29 6.213 -7.501 -13.776 1.00 0.00 O ATOM 472 CB ALA A 29 8.305 -8.378 -11.355 1.00 0.00 C ATOM 0 H ALA A 29 6.589 -9.525 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 29 6.608 -7.082 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.867 -7.773 -12.067 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.593 -8.105 -10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.524 -9.433 -11.523 1.00 0.00 H new ATOM 478 N LYS A 30 6.273 -9.707 -13.320 1.00 0.00 N ATOM 479 CA LYS A 30 5.917 -10.100 -14.681 1.00 0.00 C ATOM 480 C LYS A 30 4.482 -9.689 -15.008 1.00 0.00 C ATOM 481 O LYS A 30 4.139 -9.461 -16.169 1.00 0.00 O ATOM 482 CB LYS A 30 6.130 -11.610 -14.899 1.00 0.00 C ATOM 483 CG LYS A 30 5.176 -12.519 -14.134 1.00 0.00 C ATOM 484 CD LYS A 30 3.887 -12.780 -14.910 1.00 0.00 C ATOM 485 CE LYS A 30 2.878 -13.587 -14.103 1.00 0.00 C ATOM 486 NZ LYS A 30 3.315 -14.990 -13.889 1.00 0.00 N ATOM 0 H LYS A 30 6.399 -10.485 -12.673 1.00 0.00 H new ATOM 0 HA LYS A 30 6.580 -9.573 -15.367 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.034 -11.824 -15.964 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.152 -11.861 -14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.670 -13.467 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.935 -12.064 -13.173 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.440 -11.828 -15.198 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.122 -13.314 -15.831 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.722 -13.107 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.918 -13.583 -14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.566 -15.515 -13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.504 -15.439 -14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.182 -15.000 -13.314 1.00 0.00 H new ATOM 500 N SER A 31 3.647 -9.586 -13.976 1.00 0.00 N ATOM 501 CA SER A 31 2.259 -9.183 -14.154 1.00 0.00 C ATOM 502 C SER A 31 2.174 -7.684 -14.430 1.00 0.00 C ATOM 503 O SER A 31 1.448 -7.249 -15.320 1.00 0.00 O ATOM 504 CB SER A 31 1.443 -9.545 -12.909 1.00 0.00 C ATOM 505 OG SER A 31 1.511 -10.940 -12.639 1.00 0.00 O ATOM 0 H SER A 31 3.910 -9.777 -13.009 1.00 0.00 H new ATOM 0 HA SER A 31 1.845 -9.715 -15.010 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.817 -8.987 -12.051 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.404 -9.250 -13.053 1.00 0.00 H new ATOM 0 HG SER A 31 2.398 -11.162 -12.285 1.00 0.00 H new ATOM 511 N ILE A 32 2.937 -6.905 -13.672 1.00 0.00 N ATOM 512 CA ILE A 32 2.967 -5.459 -13.847 1.00 0.00 C ATOM 513 C ILE A 32 3.678 -5.101 -15.148 1.00 0.00 C ATOM 514 O ILE A 32 3.208 -4.266 -15.923 1.00 0.00 O ATOM 515 CB ILE A 32 3.673 -4.761 -12.660 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.965 -5.098 -11.339 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.720 -3.252 -12.869 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.502 -4.698 -11.302 1.00 0.00 C ATOM 0 H ILE A 32 3.544 -7.252 -12.929 1.00 0.00 H new ATOM 0 HA ILE A 32 1.936 -5.108 -13.886 1.00 0.00 H new ATOM 0 HB ILE A 32 4.697 -5.130 -12.609 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.042 -6.171 -11.161 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.488 -4.601 -10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.221 -2.783 -12.022 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.268 -3.028 -13.784 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.705 -2.864 -12.951 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.075 -4.970 -10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.415 -3.621 -11.447 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.963 -5.215 -12.096 1.00 0.00 H new ATOM 530 N GLY A 33 4.806 -5.753 -15.390 1.00 0.00 N ATOM 531 CA GLY A 33 5.579 -5.479 -16.581 1.00 0.00 C ATOM 532 C GLY A 33 6.866 -4.758 -16.254 1.00 0.00 C ATOM 533 O GLY A 33 7.362 -3.961 -17.050 1.00 0.00 O ATOM 0 H GLY A 33 5.200 -6.469 -14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.805 -6.415 -17.092 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.987 -4.875 -17.269 1.00 0.00 H new ATOM 537 N VAL A 34 7.406 -5.037 -15.077 1.00 0.00 N ATOM 538 CA VAL A 34 8.635 -4.399 -14.627 1.00 0.00 C ATOM 539 C VAL A 34 9.691 -5.448 -14.318 1.00 0.00 C ATOM 540 O VAL A 34 9.377 -6.630 -14.174 1.00 0.00 O ATOM 541 CB VAL A 34 8.404 -3.517 -13.375 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.491 -2.347 -13.701 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.834 -4.339 -12.226 1.00 0.00 C ATOM 0 H VAL A 34 7.011 -5.704 -14.414 1.00 0.00 H new ATOM 0 HA VAL A 34 8.979 -3.755 -15.436 1.00 0.00 H new ATOM 0 HB VAL A 34 9.370 -3.121 -13.061 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.343 -1.741 -12.807 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.946 -1.737 -14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.529 -2.722 -14.049 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.681 -3.696 -11.359 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.881 -4.774 -12.528 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.531 -5.136 -11.968 1.00 0.00 H new ATOM 553 N SER A 35 10.937 -5.016 -14.231 1.00 0.00 N ATOM 554 CA SER A 35 12.030 -5.909 -13.895 1.00 0.00 C ATOM 555 C SER A 35 11.937 -6.315 -12.423 1.00 0.00 C ATOM 556 O SER A 35 11.481 -5.527 -11.589 1.00 0.00 O ATOM 557 CB SER A 35 13.363 -5.211 -14.178 1.00 0.00 C ATOM 558 OG SER A 35 13.393 -4.695 -15.502 1.00 0.00 O ATOM 0 H SER A 35 11.217 -4.048 -14.389 1.00 0.00 H new ATOM 0 HA SER A 35 11.967 -6.810 -14.505 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.513 -4.401 -13.464 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.184 -5.915 -14.039 1.00 0.00 H new ATOM 0 HG SER A 35 14.252 -4.252 -15.661 1.00 0.00 H new ATOM 564 N PRO A 36 12.352 -7.547 -12.084 1.00 0.00 N ATOM 565 CA PRO A 36 12.304 -8.049 -10.704 1.00 0.00 C ATOM 566 C PRO A 36 13.080 -7.154 -9.739 1.00 0.00 C ATOM 567 O PRO A 36 12.692 -6.993 -8.581 1.00 0.00 O ATOM 568 CB PRO A 36 12.943 -9.443 -10.796 1.00 0.00 C ATOM 569 CG PRO A 36 13.662 -9.464 -12.105 1.00 0.00 C ATOM 570 CD PRO A 36 12.894 -8.551 -13.013 1.00 0.00 C ATOM 0 HA PRO A 36 11.287 -8.070 -10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.630 -9.616 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.186 -10.226 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.691 -9.125 -11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.703 -10.475 -12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.536 -8.098 -13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.102 -9.080 -13.543 1.00 0.00 H new ATOM 578 N GLN A 37 14.160 -6.553 -10.232 1.00 0.00 N ATOM 579 CA GLN A 37 14.957 -5.627 -9.436 1.00 0.00 C ATOM 580 C GLN A 37 14.156 -4.373 -9.114 1.00 0.00 C ATOM 581 O GLN A 37 14.255 -3.818 -8.021 1.00 0.00 O ATOM 582 CB GLN A 37 16.223 -5.239 -10.191 1.00 0.00 C ATOM 583 CG GLN A 37 17.217 -4.447 -9.352 1.00 0.00 C ATOM 584 CD GLN A 37 17.651 -5.192 -8.106 1.00 0.00 C ATOM 585 OE1 GLN A 37 17.046 -5.065 -7.043 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.712 -5.967 -8.230 1.00 0.00 N ATOM 0 H GLN A 37 14.503 -6.692 -11.182 1.00 0.00 H new ATOM 0 HA GLN A 37 15.229 -6.124 -8.505 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.709 -6.143 -10.557 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.948 -4.649 -11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 37 18.094 -4.216 -9.957 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.768 -3.496 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.185 -6.044 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.059 -6.489 -7.425 1.00 0.00 H new ATOM 595 N THR A 38 13.333 -3.957 -10.064 1.00 0.00 N ATOM 596 CA THR A 38 12.552 -2.741 -9.917 1.00 0.00 C ATOM 597 C THR A 38 11.506 -2.943 -8.828 1.00 0.00 C ATOM 598 O THR A 38 11.250 -2.061 -8.008 1.00 0.00 O ATOM 599 CB THR A 38 11.860 -2.354 -11.241 1.00 0.00 C ATOM 600 OG1 THR A 38 12.823 -2.317 -12.307 1.00 0.00 O ATOM 601 CG2 THR A 38 11.170 -1.000 -11.124 1.00 0.00 C ATOM 0 H THR A 38 13.189 -4.446 -10.947 1.00 0.00 H new ATOM 0 HA THR A 38 13.226 -1.930 -9.641 1.00 0.00 H new ATOM 0 HB THR A 38 11.104 -3.108 -11.460 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.375 -2.072 -13.144 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.691 -0.753 -12.071 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.417 -1.042 -10.337 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.908 -0.236 -10.880 1.00 0.00 H new ATOM 609 N PHE A 39 10.934 -4.132 -8.811 1.00 0.00 N ATOM 610 CA PHE A 39 9.966 -4.492 -7.799 1.00 0.00 C ATOM 611 C PHE A 39 10.665 -4.673 -6.455 1.00 0.00 C ATOM 612 O PHE A 39 10.116 -4.350 -5.401 1.00 0.00 O ATOM 613 CB PHE A 39 9.254 -5.776 -8.207 1.00 0.00 C ATOM 614 CG PHE A 39 7.989 -6.023 -7.437 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.822 -5.348 -7.759 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.969 -6.921 -6.383 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.661 -5.566 -7.044 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.810 -7.142 -5.665 1.00 0.00 C ATOM 619 CZ PHE A 39 5.655 -6.465 -5.996 1.00 0.00 C ATOM 0 H PHE A 39 11.126 -4.867 -9.492 1.00 0.00 H new ATOM 0 HA PHE A 39 9.228 -3.696 -7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.021 -5.732 -9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.929 -6.619 -8.063 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.821 -4.644 -8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.870 -7.455 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.758 -5.034 -7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.808 -7.845 -4.845 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.747 -6.638 -5.437 1.00 0.00 H new ATOM 629 N ASN A 40 11.888 -5.182 -6.507 1.00 0.00 N ATOM 630 CA ASN A 40 12.682 -5.408 -5.309 1.00 0.00 C ATOM 631 C ASN A 40 13.044 -4.088 -4.633 1.00 0.00 C ATOM 632 O ASN A 40 13.003 -3.982 -3.409 1.00 0.00 O ATOM 633 CB ASN A 40 13.947 -6.203 -5.648 1.00 0.00 C ATOM 634 CG ASN A 40 14.837 -6.427 -4.442 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.626 -7.358 -3.663 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.859 -5.597 -4.298 1.00 0.00 N ATOM 0 H ASN A 40 12.354 -5.448 -7.374 1.00 0.00 H new ATOM 0 HA ASN A 40 12.081 -5.990 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.663 -7.167 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.510 -5.673 -6.416 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.507 -5.716 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.998 -4.839 -4.966 1.00 0.00 H new ATOM 643 N THR A 41 13.379 -3.076 -5.429 1.00 0.00 N ATOM 644 CA THR A 41 13.703 -1.762 -4.886 1.00 0.00 C ATOM 645 C THR A 41 12.488 -1.119 -4.215 1.00 0.00 C ATOM 646 O THR A 41 12.631 -0.256 -3.352 1.00 0.00 O ATOM 647 CB THR A 41 14.280 -0.822 -5.969 1.00 0.00 C ATOM 648 OG1 THR A 41 13.554 -0.953 -7.200 1.00 0.00 O ATOM 649 CG2 THR A 41 15.750 -1.128 -6.214 1.00 0.00 C ATOM 0 H THR A 41 13.433 -3.140 -6.446 1.00 0.00 H new ATOM 0 HA THR A 41 14.471 -1.914 -4.128 1.00 0.00 H new ATOM 0 HB THR A 41 14.181 0.201 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.671 -1.338 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.139 -0.456 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.310 -0.987 -5.289 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.856 -2.160 -6.549 1.00 0.00 H new ATOM 657 N TRP A 42 11.292 -1.550 -4.603 1.00 0.00 N ATOM 658 CA TRP A 42 10.071 -1.107 -3.936 1.00 0.00 C ATOM 659 C TRP A 42 9.902 -1.851 -2.616 1.00 0.00 C ATOM 660 O TRP A 42 9.525 -1.269 -1.599 1.00 0.00 O ATOM 661 CB TRP A 42 8.849 -1.345 -4.828 1.00 0.00 C ATOM 662 CG TRP A 42 8.866 -0.563 -6.108 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.589 0.563 -6.373 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.108 -0.843 -7.292 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.337 0.996 -7.652 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.430 0.150 -8.237 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.196 -1.840 -7.646 1.00 0.00 C ATOM 668 CZ2 TRP A 42 7.863 0.175 -9.510 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.636 -1.814 -8.909 1.00 0.00 C ATOM 670 CH2 TRP A 42 6.970 -0.813 -9.827 1.00 0.00 C ATOM 0 H TRP A 42 11.141 -2.203 -5.372 1.00 0.00 H new ATOM 0 HA TRP A 42 10.153 -0.038 -3.740 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.786 -2.407 -5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.949 -1.088 -4.269 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.262 1.044 -5.678 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.756 1.814 -8.095 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.933 -2.618 -6.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.119 0.946 -10.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.929 -2.579 -9.192 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.514 -0.820 -10.806 1.00 0.00 H new ATOM 681 N CYS A 43 10.206 -3.143 -2.647 1.00 0.00 N ATOM 682 CA CYS A 43 10.124 -3.995 -1.467 1.00 0.00 C ATOM 683 C CYS A 43 11.115 -3.540 -0.397 1.00 0.00 C ATOM 684 O CYS A 43 10.847 -3.641 0.801 1.00 0.00 O ATOM 685 CB CYS A 43 10.396 -5.450 -1.873 1.00 0.00 C ATOM 686 SG CYS A 43 10.253 -6.659 -0.537 1.00 0.00 S ATOM 0 H CYS A 43 10.516 -3.629 -3.489 1.00 0.00 H new ATOM 0 HA CYS A 43 9.123 -3.920 -1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.702 -5.725 -2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.400 -5.512 -2.292 1.00 0.00 H new ATOM 0 HG CYS A 43 10.369 -7.859 -1.023 1.00 0.00 H new ATOM 692 N LYS A 44 12.253 -3.026 -0.843 1.00 0.00 N ATOM 693 CA LYS A 44 13.276 -2.517 0.049 1.00 0.00 C ATOM 694 C LYS A 44 12.996 -1.074 0.455 1.00 0.00 C ATOM 695 O LYS A 44 13.708 -0.508 1.282 1.00 0.00 O ATOM 696 CB LYS A 44 14.636 -2.612 -0.638 1.00 0.00 C ATOM 697 CG LYS A 44 15.175 -4.027 -0.731 1.00 0.00 C ATOM 698 CD LYS A 44 15.431 -4.606 0.649 1.00 0.00 C ATOM 699 CE LYS A 44 15.947 -6.030 0.569 1.00 0.00 C ATOM 700 NZ LYS A 44 16.227 -6.592 1.912 1.00 0.00 N ATOM 0 H LYS A 44 12.489 -2.952 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 44 13.274 -3.122 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.555 -2.197 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.352 -1.995 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.464 -4.656 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.100 -4.030 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.155 -3.985 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.509 -4.584 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.213 -6.654 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.856 -6.054 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.578 -7.566 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.946 -6.011 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.354 -6.593 2.477 1.00 0.00 H new ATOM 714 N GLY A 45 11.955 -0.486 -0.128 1.00 0.00 N ATOM 715 CA GLY A 45 11.632 0.903 0.148 1.00 0.00 C ATOM 716 C GLY A 45 12.730 1.856 -0.289 1.00 0.00 C ATOM 717 O GLY A 45 12.986 2.869 0.366 1.00 0.00 O ATOM 0 H GLY A 45 11.329 -0.947 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.705 1.165 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.454 1.025 1.216 1.00 0.00 H new ATOM 721 N ILE A 46 13.380 1.533 -1.399 1.00 0.00 N ATOM 722 CA ILE A 46 14.458 2.359 -1.922 1.00 0.00 C ATOM 723 C ILE A 46 13.884 3.527 -2.717 1.00 0.00 C ATOM 724 O ILE A 46 14.345 4.666 -2.607 1.00 0.00 O ATOM 725 CB ILE A 46 15.414 1.542 -2.819 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.025 0.387 -2.025 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.506 2.429 -3.405 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.795 0.822 -0.797 1.00 0.00 C ATOM 0 H ILE A 46 13.178 0.702 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 46 15.028 2.737 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 46 14.838 1.130 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 46 15.229 -0.292 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.691 -0.177 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.165 1.829 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.052 3.217 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.084 2.877 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.196 -0.055 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 46 17.615 1.476 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 46 16.129 1.359 -0.121 1.00 0.00 H new ATOM 740 N ALA A 47 12.859 3.233 -3.502 1.00 0.00 N ATOM 741 CA ALA A 47 12.207 4.238 -4.321 1.00 0.00 C ATOM 742 C ALA A 47 10.718 3.952 -4.424 1.00 0.00 C ATOM 743 O ALA A 47 10.284 2.808 -4.277 1.00 0.00 O ATOM 744 CB ALA A 47 12.837 4.285 -5.706 1.00 0.00 C ATOM 0 H ALA A 47 12.460 2.298 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 47 12.341 5.211 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.337 5.044 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.895 4.532 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.731 3.313 -6.187 1.00 0.00 H new ATOM 750 N ILE A 48 9.943 4.995 -4.661 1.00 0.00 N ATOM 751 CA ILE A 48 8.506 4.865 -4.829 1.00 0.00 C ATOM 752 C ILE A 48 8.140 5.090 -6.293 1.00 0.00 C ATOM 753 O ILE A 48 8.610 6.047 -6.912 1.00 0.00 O ATOM 754 CB ILE A 48 7.746 5.870 -3.927 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.021 5.559 -2.451 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.247 5.835 -4.207 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.480 6.600 -1.496 1.00 0.00 C ATOM 0 H ILE A 48 10.289 5.951 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 48 8.212 3.859 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 48 8.105 6.874 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.583 4.592 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.097 5.468 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.739 6.550 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.065 6.096 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.864 4.833 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.714 6.310 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.937 7.565 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.399 6.675 -1.614 1.00 0.00 H new ATOM 769 N PRO A 49 7.332 4.191 -6.872 1.00 0.00 N ATOM 770 CA PRO A 49 6.879 4.305 -8.261 1.00 0.00 C ATOM 771 C PRO A 49 5.958 5.505 -8.458 1.00 0.00 C ATOM 772 O PRO A 49 5.352 5.997 -7.505 1.00 0.00 O ATOM 773 CB PRO A 49 6.124 2.995 -8.500 1.00 0.00 C ATOM 774 CG PRO A 49 5.688 2.565 -7.145 1.00 0.00 C ATOM 775 CD PRO A 49 6.789 2.992 -6.215 1.00 0.00 C ATOM 0 HA PRO A 49 7.705 4.459 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.272 3.143 -9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.765 2.247 -8.967 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.741 3.030 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.537 1.486 -7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.411 3.215 -5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.546 2.216 -6.103 1.00 0.00 H new ATOM 783 N ARG A 50 5.850 5.972 -9.693 1.00 0.00 N ATOM 784 CA ARG A 50 5.027 7.131 -9.993 1.00 0.00 C ATOM 785 C ARG A 50 3.625 6.703 -10.415 1.00 0.00 C ATOM 786 O ARG A 50 3.306 5.512 -10.409 1.00 0.00 O ATOM 787 CB ARG A 50 5.692 7.987 -11.074 1.00 0.00 C ATOM 788 CG ARG A 50 7.067 8.494 -10.665 1.00 0.00 C ATOM 789 CD ARG A 50 7.626 9.499 -11.660 1.00 0.00 C ATOM 790 NE ARG A 50 6.809 10.712 -11.735 1.00 0.00 N ATOM 791 CZ ARG A 50 6.956 11.768 -10.929 1.00 0.00 C ATOM 792 NH1 ARG A 50 7.889 11.777 -9.985 1.00 0.00 N ATOM 793 NH2 ARG A 50 6.164 12.823 -11.075 1.00 0.00 N ATOM 0 H ARG A 50 6.322 5.566 -10.501 1.00 0.00 H new ATOM 0 HA ARG A 50 4.932 7.735 -9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.784 7.401 -11.989 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.050 8.838 -11.303 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.004 8.957 -9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.753 7.651 -10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.643 9.765 -11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.683 9.039 -12.646 1.00 0.00 H new ATOM 0 HE ARG A 50 6.081 10.754 -12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.504 10.972 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.991 12.589 -9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.447 12.826 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.273 13.631 -10.462 1.00 0.00 H new ATOM 807 N MET A 51 2.802 7.673 -10.802 1.00 0.00 N ATOM 808 CA MET A 51 1.381 7.437 -11.065 1.00 0.00 C ATOM 809 C MET A 51 1.158 6.359 -12.123 1.00 0.00 C ATOM 810 O MET A 51 0.156 5.643 -12.081 1.00 0.00 O ATOM 811 CB MET A 51 0.697 8.737 -11.493 1.00 0.00 C ATOM 812 CG MET A 51 0.585 9.761 -10.374 1.00 0.00 C ATOM 813 SD MET A 51 -0.187 11.305 -10.908 1.00 0.00 S ATOM 814 CE MET A 51 -1.792 10.724 -11.458 1.00 0.00 C ATOM 0 H MET A 51 3.096 8.640 -10.942 1.00 0.00 H new ATOM 0 HA MET A 51 0.939 7.080 -10.135 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.254 9.175 -12.321 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.301 8.507 -11.866 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.005 9.335 -9.555 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.580 9.974 -9.983 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.489 11.561 -11.495 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.699 10.285 -12.451 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.165 9.972 -10.763 1.00 0.00 H new ATOM 824 N GLY A 52 2.092 6.244 -13.059 1.00 0.00 N ATOM 825 CA GLY A 52 1.971 5.255 -14.114 1.00 0.00 C ATOM 826 C GLY A 52 2.009 3.831 -13.591 1.00 0.00 C ATOM 827 O GLY A 52 1.280 2.965 -14.073 1.00 0.00 O ATOM 0 H GLY A 52 2.933 6.819 -13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.036 5.415 -14.651 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.779 5.395 -14.832 1.00 0.00 H new ATOM 831 N LYS A 53 2.853 3.586 -12.600 1.00 0.00 N ATOM 832 CA LYS A 53 3.020 2.242 -12.062 1.00 0.00 C ATOM 833 C LYS A 53 2.183 2.023 -10.808 1.00 0.00 C ATOM 834 O LYS A 53 1.774 0.897 -10.525 1.00 0.00 O ATOM 835 CB LYS A 53 4.496 1.955 -11.789 1.00 0.00 C ATOM 836 CG LYS A 53 5.104 0.975 -12.783 1.00 0.00 C ATOM 837 CD LYS A 53 4.782 1.360 -14.221 1.00 0.00 C ATOM 838 CE LYS A 53 5.262 0.305 -15.204 1.00 0.00 C ATOM 839 NZ LYS A 53 4.803 0.582 -16.591 1.00 0.00 N ATOM 0 H LYS A 53 3.432 4.297 -12.152 1.00 0.00 H new ATOM 0 HA LYS A 53 2.661 1.540 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.055 2.890 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.602 1.555 -10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.185 0.943 -12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.728 -0.028 -12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.706 1.496 -14.329 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.250 2.316 -14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.351 0.261 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.898 -0.674 -14.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.153 -0.162 -17.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.763 0.598 -16.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.171 1.504 -16.901 1.00 0.00 H new ATOM 853 N VAL A 54 1.923 3.092 -10.059 1.00 0.00 N ATOM 854 CA VAL A 54 1.034 3.010 -8.899 1.00 0.00 C ATOM 855 C VAL A 54 -0.353 2.547 -9.337 1.00 0.00 C ATOM 856 O VAL A 54 -1.015 1.772 -8.643 1.00 0.00 O ATOM 857 CB VAL A 54 0.923 4.366 -8.158 1.00 0.00 C ATOM 858 CG1 VAL A 54 -0.141 4.316 -7.068 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.265 4.754 -7.556 1.00 0.00 C ATOM 0 H VAL A 54 2.311 4.019 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 54 1.464 2.286 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 54 0.628 5.120 -8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.194 5.283 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.108 4.085 -7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.117 3.545 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.169 5.709 -7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.581 3.988 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.007 4.843 -8.349 1.00 0.00 H new ATOM 869 N GLN A 55 -0.769 3.008 -10.509 1.00 0.00 N ATOM 870 CA GLN A 55 -2.044 2.615 -11.086 1.00 0.00 C ATOM 871 C GLN A 55 -2.106 1.103 -11.288 1.00 0.00 C ATOM 872 O GLN A 55 -3.122 0.472 -10.998 1.00 0.00 O ATOM 873 CB GLN A 55 -2.254 3.335 -12.422 1.00 0.00 C ATOM 874 CG GLN A 55 -3.541 2.956 -13.136 1.00 0.00 C ATOM 875 CD GLN A 55 -4.779 3.278 -12.321 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.329 4.374 -12.414 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.227 2.326 -11.518 1.00 0.00 N ATOM 0 H GLN A 55 -0.235 3.661 -11.082 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.839 2.899 -10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.252 4.411 -12.247 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.410 3.117 -13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.591 3.482 -14.089 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.526 1.890 -13.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.742 1.430 -11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.057 2.488 -10.948 1.00 0.00 H new ATOM 886 N ALA A 56 -1.010 0.531 -11.772 1.00 0.00 N ATOM 887 CA ALA A 56 -0.942 -0.902 -12.020 1.00 0.00 C ATOM 888 C ALA A 56 -0.946 -1.678 -10.707 1.00 0.00 C ATOM 889 O ALA A 56 -1.613 -2.705 -10.586 1.00 0.00 O ATOM 890 CB ALA A 56 0.296 -1.245 -12.840 1.00 0.00 C ATOM 0 H ALA A 56 -0.156 1.039 -12.000 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.825 -1.192 -12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.330 -2.320 -13.015 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.256 -0.723 -13.796 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.189 -0.938 -12.296 1.00 0.00 H new ATOM 896 N LEU A 57 -0.214 -1.167 -9.722 1.00 0.00 N ATOM 897 CA LEU A 57 -0.123 -1.803 -8.413 1.00 0.00 C ATOM 898 C LEU A 57 -1.480 -1.832 -7.719 1.00 0.00 C ATOM 899 O LEU A 57 -1.930 -2.886 -7.267 1.00 0.00 O ATOM 900 CB LEU A 57 0.895 -1.071 -7.536 1.00 0.00 C ATOM 901 CG LEU A 57 2.340 -1.113 -8.037 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.241 -0.306 -7.117 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.831 -2.550 -8.136 1.00 0.00 C ATOM 0 H LEU A 57 0.329 -0.307 -9.807 1.00 0.00 H new ATOM 0 HA LEU A 57 0.207 -2.831 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.589 -0.029 -7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.862 -1.500 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 57 2.373 -0.670 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.266 -0.345 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.903 0.730 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.201 -0.723 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.860 -2.559 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.785 -3.019 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.200 -3.103 -8.832 1.00 0.00 H new ATOM 915 N ALA A 58 -2.138 -0.678 -7.654 1.00 0.00 N ATOM 916 CA ALA A 58 -3.430 -0.574 -6.986 1.00 0.00 C ATOM 917 C ALA A 58 -4.471 -1.445 -7.678 1.00 0.00 C ATOM 918 O ALA A 58 -5.334 -2.036 -7.031 1.00 0.00 O ATOM 919 CB ALA A 58 -3.891 0.874 -6.948 1.00 0.00 C ATOM 0 H ALA A 58 -1.798 0.196 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.314 -0.931 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.857 0.935 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.161 1.474 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.986 1.252 -7.966 1.00 0.00 H new ATOM 925 N ASP A 59 -4.365 -1.530 -8.996 1.00 0.00 N ATOM 926 CA ASP A 59 -5.286 -2.328 -9.796 1.00 0.00 C ATOM 927 C ASP A 59 -5.062 -3.815 -9.570 1.00 0.00 C ATOM 928 O ASP A 59 -6.011 -4.578 -9.393 1.00 0.00 O ATOM 929 CB ASP A 59 -5.107 -1.996 -11.278 1.00 0.00 C ATOM 930 CG ASP A 59 -6.029 -2.795 -12.173 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.244 -2.512 -12.183 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.543 -3.708 -12.872 1.00 0.00 O ATOM 0 H ASP A 59 -3.645 -1.053 -9.538 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.303 -2.086 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.290 -0.933 -11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.073 -2.187 -11.566 1.00 0.00 H new ATOM 937 N TYR A 60 -3.798 -4.216 -9.557 1.00 0.00 N ATOM 938 CA TYR A 60 -3.437 -5.622 -9.429 1.00 0.00 C ATOM 939 C TYR A 60 -3.849 -6.178 -8.073 1.00 0.00 C ATOM 940 O TYR A 60 -4.265 -7.331 -7.963 1.00 0.00 O ATOM 941 CB TYR A 60 -1.931 -5.799 -9.624 1.00 0.00 C ATOM 942 CG TYR A 60 -1.505 -7.246 -9.750 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.844 -7.989 -10.874 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.766 -7.868 -8.751 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.462 -9.309 -10.998 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.379 -9.190 -8.869 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.730 -9.906 -9.993 1.00 0.00 C ATOM 948 OH TYR A 60 -0.348 -11.223 -10.117 1.00 0.00 O ATOM 0 H TYR A 60 -3.001 -3.584 -9.634 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.971 -6.175 -10.202 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.622 -5.258 -10.519 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.408 -5.346 -8.782 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.416 -7.525 -11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.490 -7.310 -7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.735 -9.872 -11.878 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.196 -9.659 -8.084 1.00 0.00 H new ATOM 0 HH TYR A 60 0.255 -11.318 -10.884 1.00 0.00 H new ATOM 958 N PHE A 61 -3.730 -5.355 -7.043 1.00 0.00 N ATOM 959 CA PHE A 61 -4.071 -5.777 -5.692 1.00 0.00 C ATOM 960 C PHE A 61 -5.530 -5.475 -5.375 1.00 0.00 C ATOM 961 O PHE A 61 -6.028 -5.845 -4.312 1.00 0.00 O ATOM 962 CB PHE A 61 -3.162 -5.091 -4.673 1.00 0.00 C ATOM 963 CG PHE A 61 -1.753 -5.617 -4.659 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.446 -6.789 -3.985 1.00 0.00 C ATOM 965 CD2 PHE A 61 -0.736 -4.938 -5.310 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.152 -7.273 -3.959 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.560 -5.418 -5.289 1.00 0.00 C ATOM 968 CZ PHE A 61 0.853 -6.587 -4.614 1.00 0.00 C ATOM 0 H PHE A 61 -3.401 -4.392 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.923 -6.855 -5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.138 -4.022 -4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.593 -5.210 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.228 -7.331 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.958 -4.023 -5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.074 -8.186 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.344 -4.879 -5.800 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.865 -6.964 -4.598 1.00 0.00 H new ATOM 978 N ASN A 62 -6.206 -4.813 -6.311 1.00 0.00 N ATOM 979 CA ASN A 62 -7.604 -4.413 -6.142 1.00 0.00 C ATOM 980 C ASN A 62 -7.767 -3.580 -4.868 1.00 0.00 C ATOM 981 O ASN A 62 -8.648 -3.836 -4.041 1.00 0.00 O ATOM 982 CB ASN A 62 -8.529 -5.639 -6.100 1.00 0.00 C ATOM 983 CG ASN A 62 -9.999 -5.277 -6.266 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.876 -5.884 -5.647 1.00 0.00 O ATOM 985 ND2 ASN A 62 -10.285 -4.307 -7.122 1.00 0.00 N ATOM 0 H ASN A 62 -5.803 -4.538 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.888 -3.805 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.240 -6.334 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.393 -6.159 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.256 -4.041 -7.286 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.534 -3.826 -7.617 1.00 0.00 H new ATOM 992 N ILE A 63 -6.903 -2.587 -4.714 1.00 0.00 N ATOM 993 CA ILE A 63 -6.929 -1.722 -3.543 1.00 0.00 C ATOM 994 C ILE A 63 -6.982 -0.258 -3.964 1.00 0.00 C ATOM 995 O ILE A 63 -7.046 0.052 -5.157 1.00 0.00 O ATOM 996 CB ILE A 63 -5.698 -1.940 -2.635 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.402 -1.751 -3.434 1.00 0.00 C ATOM 998 CG2 ILE A 63 -5.743 -3.320 -1.990 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.150 -1.876 -2.596 1.00 0.00 C ATOM 0 H ILE A 63 -6.172 -2.360 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.824 -1.981 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.719 -1.195 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.368 -2.489 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.416 -0.769 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.867 -3.453 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.646 -3.410 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.748 -4.085 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.274 -1.731 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.161 -1.120 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.112 -2.867 -2.145 1.00 0.00 H new ATOM 1011 N ASN A 64 -6.962 0.632 -2.984 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.979 2.061 -3.241 1.00 0.00 C ATOM 1013 C ASN A 64 -5.563 2.606 -3.157 1.00 0.00 C ATOM 1014 O ASN A 64 -4.684 1.968 -2.572 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.859 2.788 -2.215 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.274 2.247 -2.147 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.157 2.681 -2.886 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.502 1.306 -1.242 1.00 0.00 N ATOM 0 H ASN A 64 -6.934 0.385 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.388 2.229 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.399 2.707 -1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.895 3.849 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.438 0.914 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.742 0.974 -0.649 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.340 3.786 -3.720 1.00 0.00 N ATOM 1026 CA LYS A 65 -4.032 4.425 -3.651 1.00 0.00 C ATOM 1027 C LYS A 65 -3.686 4.746 -2.200 1.00 0.00 C ATOM 1028 O LYS A 65 -2.529 4.688 -1.792 1.00 0.00 O ATOM 1029 CB LYS A 65 -4.012 5.706 -4.500 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.918 6.810 -3.972 1.00 0.00 C ATOM 1031 CD LYS A 65 -4.942 8.016 -4.896 1.00 0.00 C ATOM 1032 CE LYS A 65 -5.775 9.145 -4.306 1.00 0.00 C ATOM 1033 NZ LYS A 65 -5.948 10.274 -5.258 1.00 0.00 N ATOM 0 H LYS A 65 -6.045 4.319 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.286 3.738 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.990 6.081 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.311 5.460 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.930 6.423 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.577 7.117 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.924 8.364 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.350 7.727 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.754 8.760 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.297 9.509 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.521 11.019 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.016 10.660 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.428 9.934 -6.116 1.00 0.00 H new ATOM 1047 N SER A 66 -4.715 5.043 -1.418 1.00 0.00 N ATOM 1048 CA SER A 66 -4.546 5.435 -0.029 1.00 0.00 C ATOM 1049 C SER A 66 -4.000 4.279 0.812 1.00 0.00 C ATOM 1050 O SER A 66 -3.298 4.502 1.799 1.00 0.00 O ATOM 1051 CB SER A 66 -5.890 5.913 0.530 1.00 0.00 C ATOM 1052 OG SER A 66 -5.765 6.361 1.864 1.00 0.00 O ATOM 0 H SER A 66 -5.686 5.019 -1.729 1.00 0.00 H new ATOM 0 HA SER A 66 -3.821 6.247 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.277 6.720 -0.091 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.614 5.100 0.484 1.00 0.00 H new ATOM 0 HG SER A 66 -6.639 6.661 2.192 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.295 3.050 0.392 1.00 0.00 N ATOM 1059 CA ASP A 67 -3.888 1.865 1.146 1.00 0.00 C ATOM 1060 C ASP A 67 -2.372 1.705 1.144 1.00 0.00 C ATOM 1061 O ASP A 67 -1.801 1.080 2.038 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.542 0.600 0.574 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.053 0.590 0.722 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.546 0.769 1.856 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -6.757 0.377 -0.286 1.00 0.00 O ATOM 0 H ASP A 67 -4.813 2.849 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.223 2.002 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.286 0.512 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.128 -0.274 1.076 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.728 2.250 0.119 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.278 2.195 0.011 1.00 0.00 C ATOM 1072 C LEU A 68 0.361 3.457 0.587 1.00 0.00 C ATOM 1073 O LEU A 68 1.526 3.449 0.987 1.00 0.00 O ATOM 1074 CB LEU A 68 0.140 2.014 -1.451 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.337 0.715 -2.105 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.103 0.653 -3.558 1.00 0.00 C ATOM 1077 CD2 LEU A 68 0.182 -0.490 -1.338 1.00 0.00 C ATOM 0 H LEU A 68 -2.190 2.736 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 68 0.072 1.339 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.242 2.855 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.228 2.054 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.426 0.698 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.246 -0.278 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.320 1.497 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.191 0.695 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.167 -1.404 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.272 -0.476 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.186 -0.455 -0.313 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.409 4.539 0.629 1.00 0.00 N ATOM 1090 CA ILE A 69 0.115 5.828 1.067 1.00 0.00 C ATOM 1091 C ILE A 69 0.070 5.966 2.585 1.00 0.00 C ATOM 1092 O ILE A 69 1.075 6.299 3.217 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.667 7.005 0.434 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.574 6.950 -1.092 1.00 0.00 C ATOM 1095 CG2 ILE A 69 -0.139 8.339 0.951 1.00 0.00 C ATOM 1096 CD1 ILE A 69 -1.372 8.033 -1.789 1.00 0.00 C ATOM 0 H ILE A 69 -1.395 4.550 0.366 1.00 0.00 H new ATOM 0 HA ILE A 69 1.152 5.866 0.735 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.715 6.915 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.472 7.035 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.924 5.976 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.701 9.154 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.254 8.381 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.916 8.437 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.258 7.931 -2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.425 7.937 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.008 9.012 -1.477 1.00 0.00 H new