USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 420 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 21 LYS NZ :NH3+ 165:sc= 0.295 (180deg=0.219) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 14 MET CE :methyl 168:sc= -0.178 (180deg=-0.411) USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=-0.18,f=-0.41) USER MOD Set 3.1: A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 8 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.439) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.2) USER MOD Single : A 11 TYR OH : rot -17:sc= -0.293 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 24 LYS NZ :NH3+ -156:sc=-0.00488 (180deg=-0.32) USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.46 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.8!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 55 THR OG1 : rot -170:sc= -1.42 USER MOD Single : A 63 SER OG : rot -41:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.343 10.596 8.990 1.00 0.00 N ATOM 2 CA SER A 1 5.567 10.018 10.304 1.00 0.00 C ATOM 3 C SER A 1 6.689 8.980 10.235 1.00 0.00 C ATOM 4 O SER A 1 6.479 7.863 9.763 1.00 0.00 O ATOM 5 CB SER A 1 4.287 9.380 10.850 1.00 0.00 C ATOM 6 OG SER A 1 4.148 9.581 12.253 1.00 0.00 O ATOM 0 H1 SER A 1 4.579 11.300 9.046 1.00 0.00 H new ATOM 0 H2 SER A 1 6.215 11.057 8.660 1.00 0.00 H new ATOM 0 H3 SER A 1 5.074 9.846 8.322 1.00 0.00 H new ATOM 0 HA SER A 1 5.862 10.818 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.424 9.802 10.336 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.295 8.311 10.636 1.00 0.00 H new ATOM 0 HG SER A 1 3.319 9.161 12.563 1.00 0.00 H new ATOM 11 N ASP A 2 7.856 9.386 10.713 1.00 0.00 N ATOM 12 CA ASP A 2 9.012 8.506 10.711 1.00 0.00 C ATOM 13 C ASP A 2 8.571 7.091 11.092 1.00 0.00 C ATOM 14 O ASP A 2 9.182 6.110 10.670 1.00 0.00 O ATOM 15 CB ASP A 2 10.057 8.966 11.731 1.00 0.00 C ATOM 16 CG ASP A 2 10.504 10.422 11.586 1.00 0.00 C ATOM 17 OD1 ASP A 2 10.790 10.816 10.435 1.00 0.00 O ATOM 18 OD2 ASP A 2 10.548 11.107 12.630 1.00 0.00 O ATOM 0 H ASP A 2 8.026 10.313 11.104 1.00 0.00 H new ATOM 0 HA ASP A 2 9.449 8.526 9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.652 8.824 12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.933 8.323 11.647 1.00 0.00 H new ATOM 22 N ASP A 3 7.513 7.029 11.887 1.00 0.00 N ATOM 23 CA ASP A 3 6.983 5.751 12.330 1.00 0.00 C ATOM 24 C ASP A 3 6.858 4.812 11.128 1.00 0.00 C ATOM 25 O ASP A 3 7.438 3.727 11.121 1.00 0.00 O ATOM 26 CB ASP A 3 5.593 5.915 12.947 1.00 0.00 C ATOM 27 CG ASP A 3 5.377 5.168 14.265 1.00 0.00 C ATOM 28 OD1 ASP A 3 6.366 5.057 15.022 1.00 0.00 O ATOM 29 OD2 ASP A 3 4.229 4.723 14.484 1.00 0.00 O ATOM 0 H ASP A 3 7.008 7.844 12.236 1.00 0.00 H new ATOM 0 HA ASP A 3 7.664 5.345 13.078 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.409 6.976 13.114 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.850 5.573 12.227 1.00 0.00 H new ATOM 33 N LYS A 4 6.098 5.263 10.142 1.00 0.00 N ATOM 34 CA LYS A 4 5.889 4.476 8.938 1.00 0.00 C ATOM 35 C LYS A 4 6.160 5.349 7.710 1.00 0.00 C ATOM 36 O LYS A 4 5.554 5.151 6.658 1.00 0.00 O ATOM 37 CB LYS A 4 4.497 3.842 8.947 1.00 0.00 C ATOM 38 CG LYS A 4 4.574 2.348 8.625 1.00 0.00 C ATOM 39 CD LYS A 4 3.186 1.705 8.671 1.00 0.00 C ATOM 40 CE LYS A 4 2.440 1.914 7.352 1.00 0.00 C ATOM 41 NZ LYS A 4 1.117 1.254 7.395 1.00 0.00 N ATOM 0 H LYS A 4 5.619 6.163 10.152 1.00 0.00 H new ATOM 0 HA LYS A 4 6.592 3.644 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.035 3.984 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.860 4.343 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.011 2.207 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.232 1.852 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.282 0.638 8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.610 2.134 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.315 2.980 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.028 1.511 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.674 1.303 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.235 0.258 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.511 1.736 8.089 1.00 0.00 H new ATOM 51 N ILE A 5 7.070 6.295 7.886 1.00 0.00 N ATOM 52 CA ILE A 5 7.428 7.199 6.806 1.00 0.00 C ATOM 53 C ILE A 5 8.070 6.400 5.670 1.00 0.00 C ATOM 54 O ILE A 5 7.865 6.708 4.496 1.00 0.00 O ATOM 55 CB ILE A 5 8.307 8.338 7.328 1.00 0.00 C ATOM 56 CG1 ILE A 5 8.120 9.604 6.490 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.773 7.910 7.401 1.00 0.00 C ATOM 58 CD1 ILE A 5 8.446 9.340 5.019 1.00 0.00 C ATOM 0 H ILE A 5 7.570 6.455 8.760 1.00 0.00 H new ATOM 0 HA ILE A 5 6.537 7.676 6.398 1.00 0.00 H new ATOM 0 HB ILE A 5 7.990 8.575 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.093 9.956 6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.764 10.396 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.376 8.738 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.870 7.058 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.120 7.629 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.305 10.256 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.481 9.011 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.784 8.565 4.633 1.00 0.00 H new ATOM 69 N GLY A 6 8.833 5.388 6.057 1.00 0.00 N ATOM 70 CA GLY A 6 9.505 4.542 5.086 1.00 0.00 C ATOM 71 C GLY A 6 8.494 3.836 4.181 1.00 0.00 C ATOM 72 O GLY A 6 8.497 4.034 2.967 1.00 0.00 O ATOM 0 H GLY A 6 9.001 5.135 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.182 5.144 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.114 3.801 5.604 1.00 0.00 H new ATOM 76 N LEU A 7 7.653 3.026 4.807 1.00 0.00 N ATOM 77 CA LEU A 7 6.638 2.288 4.073 1.00 0.00 C ATOM 78 C LEU A 7 5.788 3.269 3.263 1.00 0.00 C ATOM 79 O LEU A 7 5.371 2.959 2.148 1.00 0.00 O ATOM 80 CB LEU A 7 5.824 1.408 5.024 1.00 0.00 C ATOM 81 CG LEU A 7 5.923 -0.101 4.791 1.00 0.00 C ATOM 82 CD1 LEU A 7 7.374 -0.576 4.885 1.00 0.00 C ATOM 83 CD2 LEU A 7 5.007 -0.865 5.749 1.00 0.00 C ATOM 0 H LEU A 7 7.653 2.864 5.814 1.00 0.00 H new ATOM 0 HA LEU A 7 7.102 1.605 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.142 1.620 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.776 1.699 4.950 1.00 0.00 H new ATOM 0 HG LEU A 7 5.579 -0.313 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.416 -1.652 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.973 -0.066 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.768 -0.349 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.097 -1.935 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.297 -0.651 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.974 -0.554 5.591 1.00 0.00 H new ATOM 94 N LYS A 8 5.556 4.431 3.855 1.00 0.00 N ATOM 95 CA LYS A 8 4.763 5.458 3.201 1.00 0.00 C ATOM 96 C LYS A 8 5.503 5.952 1.956 1.00 0.00 C ATOM 97 O LYS A 8 4.882 6.218 0.927 1.00 0.00 O ATOM 98 CB LYS A 8 4.411 6.572 4.189 1.00 0.00 C ATOM 99 CG LYS A 8 3.117 7.279 3.780 1.00 0.00 C ATOM 100 CD LYS A 8 3.137 8.749 4.206 1.00 0.00 C ATOM 101 CE LYS A 8 2.870 8.888 5.706 1.00 0.00 C ATOM 102 NZ LYS A 8 3.028 10.296 6.132 1.00 0.00 N ATOM 0 H LYS A 8 5.903 4.684 4.780 1.00 0.00 H new ATOM 0 HA LYS A 8 3.811 5.048 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.301 6.154 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.226 7.294 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.987 7.211 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.264 6.776 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.104 9.189 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.384 9.304 3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.862 8.543 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.558 8.254 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.164 10.334 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.855 10.711 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.176 10.834 5.876 1.00 0.00 H new ATOM 112 N VAL A 9 6.816 6.058 2.090 1.00 0.00 N ATOM 113 CA VAL A 9 7.646 6.516 0.988 1.00 0.00 C ATOM 114 C VAL A 9 7.482 5.561 -0.197 1.00 0.00 C ATOM 115 O VAL A 9 7.080 5.977 -1.282 1.00 0.00 O ATOM 116 CB VAL A 9 9.098 6.654 1.449 1.00 0.00 C ATOM 117 CG1 VAL A 9 10.024 6.945 0.266 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.231 7.730 2.528 1.00 0.00 C ATOM 0 H VAL A 9 7.326 5.835 2.944 1.00 0.00 H new ATOM 0 HA VAL A 9 7.330 7.505 0.656 1.00 0.00 H new ATOM 0 HB VAL A 9 9.402 5.703 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.050 7.038 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.962 6.129 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.720 7.875 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.273 7.808 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.899 8.688 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.616 7.462 3.387 1.00 0.00 H new ATOM 128 N LEU A 10 7.805 4.300 0.051 1.00 0.00 N ATOM 129 CA LEU A 10 7.699 3.284 -0.982 1.00 0.00 C ATOM 130 C LEU A 10 6.300 3.334 -1.600 1.00 0.00 C ATOM 131 O LEU A 10 6.158 3.512 -2.808 1.00 0.00 O ATOM 132 CB LEU A 10 8.076 1.911 -0.423 1.00 0.00 C ATOM 133 CG LEU A 10 9.485 1.415 -0.754 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.408 1.535 0.461 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.449 -0.011 -1.306 1.00 0.00 C ATOM 0 H LEU A 10 8.140 3.959 0.952 1.00 0.00 H new ATOM 0 HA LEU A 10 8.409 3.482 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.968 1.940 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.358 1.180 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 10 9.896 2.053 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.403 1.176 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.469 2.578 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.010 0.936 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.463 -0.339 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.010 -0.677 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.848 -0.034 -2.215 1.00 0.00 H new ATOM 146 N TYR A 11 5.303 3.174 -0.742 1.00 0.00 N ATOM 147 CA TYR A 11 3.920 3.199 -1.188 1.00 0.00 C ATOM 148 C TYR A 11 3.613 4.489 -1.949 1.00 0.00 C ATOM 149 O TYR A 11 3.052 4.451 -3.043 1.00 0.00 O ATOM 150 CB TYR A 11 3.068 3.153 0.080 1.00 0.00 C ATOM 151 CG TYR A 11 1.803 4.011 0.011 1.00 0.00 C ATOM 152 CD1 TYR A 11 1.060 4.052 -1.152 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.404 4.744 1.110 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.130 4.860 -1.218 1.00 0.00 C ATOM 155 CE2 TYR A 11 0.214 5.552 1.045 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.494 5.570 -0.116 1.00 0.00 C ATOM 157 OH TYR A 11 -1.619 6.333 -0.178 1.00 0.00 O ATOM 0 H TYR A 11 5.425 3.027 0.260 1.00 0.00 H new ATOM 0 HA TYR A 11 3.717 2.364 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.783 2.119 0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.673 3.483 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.371 3.478 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.985 4.712 2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.720 4.901 -2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.109 6.130 1.898 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.870 6.471 -1.115 1.00 0.00 H new ATOM 166 N LYS A 12 3.995 5.603 -1.340 1.00 0.00 N ATOM 167 CA LYS A 12 3.767 6.903 -1.948 1.00 0.00 C ATOM 168 C LYS A 12 4.424 6.939 -3.329 1.00 0.00 C ATOM 169 O LYS A 12 3.908 7.572 -4.249 1.00 0.00 O ATOM 170 CB LYS A 12 4.239 8.020 -1.014 1.00 0.00 C ATOM 171 CG LYS A 12 4.239 9.372 -1.731 1.00 0.00 C ATOM 172 CD LYS A 12 5.542 9.583 -2.504 1.00 0.00 C ATOM 173 CE LYS A 12 6.002 11.040 -2.416 1.00 0.00 C ATOM 174 NZ LYS A 12 7.126 11.173 -1.464 1.00 0.00 N ATOM 0 H LYS A 12 4.460 5.632 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 12 2.701 7.071 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.588 8.068 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.243 7.796 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.393 9.424 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.110 10.173 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.316 8.929 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.399 9.306 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.309 11.390 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.172 11.671 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.425 12.168 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.821 10.858 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.923 10.587 -1.784 1.00 0.00 H new ATOM 184 N LEU A 13 5.553 6.252 -3.430 1.00 0.00 N ATOM 185 CA LEU A 13 6.284 6.197 -4.684 1.00 0.00 C ATOM 186 C LEU A 13 5.641 5.154 -5.600 1.00 0.00 C ATOM 187 O LEU A 13 5.753 5.243 -6.823 1.00 0.00 O ATOM 188 CB LEU A 13 7.772 5.952 -4.425 1.00 0.00 C ATOM 189 CG LEU A 13 8.726 7.047 -4.910 1.00 0.00 C ATOM 190 CD1 LEU A 13 8.599 7.253 -6.421 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.510 8.346 -4.133 1.00 0.00 C ATOM 0 H LEU A 13 5.979 5.729 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 13 6.226 7.155 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.917 5.820 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.054 5.014 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 13 9.748 6.723 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.287 8.036 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.842 6.324 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.578 7.546 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.200 9.107 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.485 8.688 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.691 8.170 -3.073 1.00 0.00 H new ATOM 202 N MET A 14 4.979 4.191 -4.976 1.00 0.00 N ATOM 203 CA MET A 14 4.317 3.133 -5.720 1.00 0.00 C ATOM 204 C MET A 14 3.070 3.661 -6.430 1.00 0.00 C ATOM 205 O MET A 14 2.850 3.370 -7.605 1.00 0.00 O ATOM 206 CB MET A 14 3.922 2.006 -4.764 1.00 0.00 C ATOM 207 CG MET A 14 4.284 0.639 -5.348 1.00 0.00 C ATOM 208 SD MET A 14 4.797 -0.466 -4.043 1.00 0.00 S ATOM 209 CE MET A 14 6.568 -0.270 -4.150 1.00 0.00 C ATOM 0 H MET A 14 4.887 4.121 -3.963 1.00 0.00 H new ATOM 0 HA MET A 14 5.009 2.756 -6.473 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.427 2.142 -3.808 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.851 2.049 -4.568 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.426 0.220 -5.874 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.085 0.747 -6.080 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.037 -0.720 -3.275 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.935 -0.761 -5.051 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.815 0.791 -4.189 1.00 0.00 H new ATOM 217 N ASP A 15 2.284 4.428 -5.688 1.00 0.00 N ATOM 218 CA ASP A 15 1.064 4.999 -6.232 1.00 0.00 C ATOM 219 C ASP A 15 1.369 5.645 -7.585 1.00 0.00 C ATOM 220 O ASP A 15 1.779 6.803 -7.646 1.00 0.00 O ATOM 221 CB ASP A 15 0.502 6.080 -5.308 1.00 0.00 C ATOM 222 CG ASP A 15 -0.554 6.987 -5.942 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.607 6.442 -6.338 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.286 8.206 -6.014 1.00 0.00 O ATOM 0 H ASP A 15 2.469 4.667 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 15 0.333 4.197 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.067 5.598 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.326 6.699 -4.955 1.00 0.00 H new ATOM 228 N VAL A 16 1.156 4.869 -8.638 1.00 0.00 N ATOM 229 CA VAL A 16 1.403 5.351 -9.986 1.00 0.00 C ATOM 230 C VAL A 16 0.070 5.486 -10.726 1.00 0.00 C ATOM 231 O VAL A 16 -0.055 6.294 -11.645 1.00 0.00 O ATOM 232 CB VAL A 16 2.391 4.428 -10.700 1.00 0.00 C ATOM 233 CG1 VAL A 16 2.247 4.538 -12.219 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.829 4.722 -10.263 1.00 0.00 C ATOM 0 H VAL A 16 0.815 3.909 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 16 1.863 6.339 -9.960 1.00 0.00 H new ATOM 0 HB VAL A 16 2.156 3.402 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.962 3.871 -12.701 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.235 4.257 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.442 5.564 -12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.512 4.052 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.079 5.755 -10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.921 4.568 -9.188 1.00 0.00 H new ATOM 244 N ASP A 17 -0.893 4.683 -10.297 1.00 0.00 N ATOM 245 CA ASP A 17 -2.211 4.702 -10.909 1.00 0.00 C ATOM 246 C ASP A 17 -2.617 6.150 -11.189 1.00 0.00 C ATOM 247 O ASP A 17 -2.470 6.633 -12.311 1.00 0.00 O ATOM 248 CB ASP A 17 -3.259 4.089 -9.976 1.00 0.00 C ATOM 249 CG ASP A 17 -4.712 4.340 -10.384 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.903 4.954 -11.456 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.599 3.913 -9.613 1.00 0.00 O ATOM 0 H ASP A 17 -0.787 4.015 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.164 4.122 -11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.092 3.013 -9.924 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.106 4.484 -8.972 1.00 0.00 H new ATOM 255 N GLY A 18 -3.119 6.802 -10.151 1.00 0.00 N ATOM 256 CA GLY A 18 -3.547 8.185 -10.272 1.00 0.00 C ATOM 257 C GLY A 18 -4.699 8.488 -9.312 1.00 0.00 C ATOM 258 O GLY A 18 -5.828 8.717 -9.744 1.00 0.00 O ATOM 0 H GLY A 18 -3.239 6.398 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.709 8.849 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.861 8.384 -11.297 1.00 0.00 H new ATOM 262 N ASP A 19 -4.374 8.481 -8.027 1.00 0.00 N ATOM 263 CA ASP A 19 -5.367 8.753 -7.002 1.00 0.00 C ATOM 264 C ASP A 19 -4.660 9.125 -5.698 1.00 0.00 C ATOM 265 O ASP A 19 -5.054 10.075 -5.023 1.00 0.00 O ATOM 266 CB ASP A 19 -6.235 7.521 -6.735 1.00 0.00 C ATOM 267 CG ASP A 19 -6.414 6.584 -7.932 1.00 0.00 C ATOM 268 OD1 ASP A 19 -5.391 6.007 -8.359 1.00 0.00 O ATOM 269 OD2 ASP A 19 -7.570 6.467 -8.393 1.00 0.00 O ATOM 0 H ASP A 19 -3.437 8.291 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.998 9.570 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.795 6.956 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.218 7.853 -6.403 1.00 0.00 H new ATOM 273 N GLY A 20 -3.628 8.357 -5.382 1.00 0.00 N ATOM 274 CA GLY A 20 -2.862 8.594 -4.171 1.00 0.00 C ATOM 275 C GLY A 20 -3.090 7.476 -3.151 1.00 0.00 C ATOM 276 O GLY A 20 -2.423 7.428 -2.119 1.00 0.00 O ATOM 0 H GLY A 20 -3.304 7.570 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.801 8.659 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.149 9.552 -3.737 1.00 0.00 H new ATOM 280 N LYS A 21 -4.035 6.606 -3.475 1.00 0.00 N ATOM 281 CA LYS A 21 -4.359 5.493 -2.600 1.00 0.00 C ATOM 282 C LYS A 21 -3.630 4.238 -3.085 1.00 0.00 C ATOM 283 O LYS A 21 -3.395 4.077 -4.282 1.00 0.00 O ATOM 284 CB LYS A 21 -5.876 5.320 -2.493 1.00 0.00 C ATOM 285 CG LYS A 21 -6.498 5.077 -3.869 1.00 0.00 C ATOM 286 CD LYS A 21 -7.579 6.116 -4.173 1.00 0.00 C ATOM 287 CE LYS A 21 -8.479 5.653 -5.320 1.00 0.00 C ATOM 288 NZ LYS A 21 -9.806 6.299 -5.232 1.00 0.00 N ATOM 0 H LYS A 21 -4.587 6.650 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.011 5.692 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.105 4.483 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.316 6.210 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.723 5.118 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.929 4.077 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.181 6.291 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.112 7.066 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.013 5.895 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.593 4.569 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.310 6.181 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.357 5.858 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.686 7.313 -5.032 1.00 0.00 H new ATOM 298 N LEU A 22 -3.292 3.383 -2.131 1.00 0.00 N ATOM 299 CA LEU A 22 -2.594 2.148 -2.446 1.00 0.00 C ATOM 300 C LEU A 22 -3.610 1.010 -2.569 1.00 0.00 C ATOM 301 O LEU A 22 -3.939 0.357 -1.580 1.00 0.00 O ATOM 302 CB LEU A 22 -1.490 1.880 -1.421 1.00 0.00 C ATOM 303 CG LEU A 22 -0.229 1.201 -1.957 1.00 0.00 C ATOM 304 CD1 LEU A 22 0.207 1.823 -3.285 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.893 1.231 -0.916 1.00 0.00 C ATOM 0 H LEU A 22 -3.488 3.521 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.089 2.230 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.203 2.829 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.903 1.260 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.462 0.154 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.106 1.322 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.590 1.708 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.416 2.883 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.779 0.742 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.131 2.265 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.569 0.707 -0.017 1.00 0.00 H new ATOM 316 N THR A 23 -4.078 0.808 -3.792 1.00 0.00 N ATOM 317 CA THR A 23 -5.050 -0.239 -4.056 1.00 0.00 C ATOM 318 C THR A 23 -4.343 -1.528 -4.481 1.00 0.00 C ATOM 319 O THR A 23 -3.178 -1.500 -4.875 1.00 0.00 O ATOM 320 CB THR A 23 -6.037 0.284 -5.102 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.490 -0.150 -6.345 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.028 1.811 -5.203 1.00 0.00 C ATOM 0 H THR A 23 -3.802 1.351 -4.610 1.00 0.00 H new ATOM 0 HA THR A 23 -5.611 -0.493 -3.157 1.00 0.00 H new ATOM 0 HB THR A 23 -7.042 -0.058 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.069 0.145 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.746 2.130 -5.959 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.301 2.241 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.031 2.151 -5.483 1.00 0.00 H new ATOM 330 N LYS A 24 -5.077 -2.627 -4.387 1.00 0.00 N ATOM 331 CA LYS A 24 -4.534 -3.924 -4.756 1.00 0.00 C ATOM 332 C LYS A 24 -4.045 -3.872 -6.205 1.00 0.00 C ATOM 333 O LYS A 24 -2.847 -3.982 -6.464 1.00 0.00 O ATOM 334 CB LYS A 24 -5.559 -5.028 -4.492 1.00 0.00 C ATOM 335 CG LYS A 24 -5.009 -6.396 -4.902 1.00 0.00 C ATOM 336 CD LYS A 24 -6.124 -7.298 -5.433 1.00 0.00 C ATOM 337 CE LYS A 24 -6.465 -6.952 -6.884 1.00 0.00 C ATOM 338 NZ LYS A 24 -7.786 -6.286 -6.961 1.00 0.00 N ATOM 0 H LYS A 24 -6.043 -2.646 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.671 -4.167 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.822 -5.040 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.474 -4.819 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.243 -6.270 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.529 -6.870 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.815 -8.341 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.012 -7.189 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.697 -6.299 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.472 -7.859 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.187 -6.419 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.426 -6.701 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.674 -5.270 -6.772 1.00 0.00 H new ATOM 348 N GLU A 25 -4.996 -3.707 -7.112 1.00 0.00 N ATOM 349 CA GLU A 25 -4.677 -3.640 -8.528 1.00 0.00 C ATOM 350 C GLU A 25 -3.397 -2.831 -8.746 1.00 0.00 C ATOM 351 O GLU A 25 -2.474 -3.292 -9.418 1.00 0.00 O ATOM 352 CB GLU A 25 -5.841 -3.050 -9.325 1.00 0.00 C ATOM 353 CG GLU A 25 -5.516 -3.005 -10.820 1.00 0.00 C ATOM 354 CD GLU A 25 -6.242 -1.845 -11.505 1.00 0.00 C ATOM 355 OE1 GLU A 25 -7.473 -1.755 -11.316 1.00 0.00 O ATOM 356 OE2 GLU A 25 -5.547 -1.075 -12.202 1.00 0.00 O ATOM 0 H GLU A 25 -5.988 -3.618 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.509 -4.654 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.738 -3.648 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.059 -2.044 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.440 -2.898 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.805 -3.946 -11.287 1.00 0.00 H new ATOM 361 N GLU A 26 -3.381 -1.641 -8.166 1.00 0.00 N ATOM 362 CA GLU A 26 -2.229 -0.764 -8.289 1.00 0.00 C ATOM 363 C GLU A 26 -1.009 -1.394 -7.615 1.00 0.00 C ATOM 364 O GLU A 26 0.112 -1.264 -8.106 1.00 0.00 O ATOM 365 CB GLU A 26 -2.527 0.618 -7.703 1.00 0.00 C ATOM 366 CG GLU A 26 -1.376 1.590 -7.975 1.00 0.00 C ATOM 367 CD GLU A 26 -1.685 2.978 -7.412 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.511 3.039 -6.475 1.00 0.00 O ATOM 369 OE2 GLU A 26 -1.090 3.947 -7.931 1.00 0.00 O ATOM 0 H GLU A 26 -4.147 -1.263 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.008 -0.633 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.448 1.009 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.690 0.534 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.459 1.208 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.201 1.660 -9.049 1.00 0.00 H new ATOM 374 N VAL A 27 -1.266 -2.061 -6.500 1.00 0.00 N ATOM 375 CA VAL A 27 -0.203 -2.711 -5.754 1.00 0.00 C ATOM 376 C VAL A 27 0.305 -3.920 -6.545 1.00 0.00 C ATOM 377 O VAL A 27 1.418 -3.899 -7.069 1.00 0.00 O ATOM 378 CB VAL A 27 -0.695 -3.079 -4.353 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.183 -4.459 -3.936 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.291 -2.014 -3.332 1.00 0.00 C ATOM 0 H VAL A 27 -2.196 -2.165 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 27 0.639 -2.032 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.784 -3.120 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.548 -4.696 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.543 -5.209 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.907 -4.457 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.653 -2.300 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.795 -1.926 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.727 -1.056 -3.614 1.00 0.00 H new ATOM 390 N THR A 28 -0.536 -4.942 -6.606 1.00 0.00 N ATOM 391 CA THR A 28 -0.186 -6.156 -7.324 1.00 0.00 C ATOM 392 C THR A 28 0.505 -5.813 -8.646 1.00 0.00 C ATOM 393 O THR A 28 1.446 -6.492 -9.053 1.00 0.00 O ATOM 394 CB THR A 28 -1.459 -6.985 -7.501 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.556 -7.735 -6.293 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.320 -8.048 -8.591 1.00 0.00 C ATOM 0 H THR A 28 -1.458 -4.954 -6.170 1.00 0.00 H new ATOM 0 HA THR A 28 0.532 -6.754 -6.763 1.00 0.00 H new ATOM 0 HB THR A 28 -2.291 -6.324 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.356 -8.300 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.252 -8.607 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.099 -7.566 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.510 -8.730 -8.333 1.00 0.00 H new ATOM 404 N SER A 29 0.009 -4.760 -9.280 1.00 0.00 N ATOM 405 CA SER A 29 0.566 -4.320 -10.547 1.00 0.00 C ATOM 406 C SER A 29 2.029 -3.912 -10.363 1.00 0.00 C ATOM 407 O SER A 29 2.916 -4.455 -11.021 1.00 0.00 O ATOM 408 CB SER A 29 -0.240 -3.156 -11.129 1.00 0.00 C ATOM 409 OG SER A 29 0.413 -2.559 -12.245 1.00 0.00 O ATOM 0 H SER A 29 -0.772 -4.199 -8.940 1.00 0.00 H new ATOM 0 HA SER A 29 0.513 -5.151 -11.250 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.224 -3.513 -11.433 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.399 -2.403 -10.357 1.00 0.00 H new ATOM 0 HG SER A 29 -0.134 -1.822 -12.588 1.00 0.00 H new ATOM 414 N PHE A 30 2.236 -2.961 -9.465 1.00 0.00 N ATOM 415 CA PHE A 30 3.577 -2.474 -9.186 1.00 0.00 C ATOM 416 C PHE A 30 4.393 -3.523 -8.426 1.00 0.00 C ATOM 417 O PHE A 30 5.605 -3.624 -8.610 1.00 0.00 O ATOM 418 CB PHE A 30 3.428 -1.228 -8.310 1.00 0.00 C ATOM 419 CG PHE A 30 4.660 -0.322 -8.303 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.837 -0.780 -7.800 1.00 0.00 C ATOM 421 CD2 PHE A 30 4.577 0.942 -8.798 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.981 0.062 -7.794 1.00 0.00 C ATOM 423 CE2 PHE A 30 5.721 1.784 -8.791 1.00 0.00 C ATOM 424 CZ PHE A 30 6.899 1.326 -8.290 1.00 0.00 C ATOM 0 H PHE A 30 1.498 -2.514 -8.921 1.00 0.00 H new ATOM 0 HA PHE A 30 4.095 -2.255 -10.119 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.569 -0.653 -8.656 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.212 -1.539 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.902 -1.783 -7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.641 1.306 -9.196 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.917 -0.302 -7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.655 2.788 -9.184 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.769 1.965 -8.286 1.00 0.00 H new ATOM 433 N PHE A 31 3.696 -4.276 -7.588 1.00 0.00 N ATOM 434 CA PHE A 31 4.340 -5.312 -6.799 1.00 0.00 C ATOM 435 C PHE A 31 4.618 -6.554 -7.649 1.00 0.00 C ATOM 436 O PHE A 31 5.443 -7.388 -7.282 1.00 0.00 O ATOM 437 CB PHE A 31 3.373 -5.684 -5.674 1.00 0.00 C ATOM 438 CG PHE A 31 3.507 -4.813 -4.424 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.932 -3.581 -4.390 1.00 0.00 C ATOM 440 CD2 PHE A 31 4.200 -5.269 -3.348 1.00 0.00 C ATOM 441 CE1 PHE A 31 3.056 -2.771 -3.230 1.00 0.00 C ATOM 442 CE2 PHE A 31 4.325 -4.460 -2.188 1.00 0.00 C ATOM 443 CZ PHE A 31 3.750 -3.229 -2.153 1.00 0.00 C ATOM 0 H PHE A 31 2.691 -4.189 -7.438 1.00 0.00 H new ATOM 0 HA PHE A 31 5.292 -4.948 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.352 -5.610 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.537 -6.726 -5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.381 -3.219 -5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.656 -6.248 -3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.600 -1.792 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.877 -4.823 -1.333 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.844 -2.614 -1.270 1.00 0.00 H new ATOM 452 N LYS A 32 3.915 -6.635 -8.769 1.00 0.00 N ATOM 453 CA LYS A 32 4.075 -7.760 -9.674 1.00 0.00 C ATOM 454 C LYS A 32 5.564 -7.987 -9.939 1.00 0.00 C ATOM 455 O LYS A 32 6.000 -9.122 -10.125 1.00 0.00 O ATOM 456 CB LYS A 32 3.249 -7.550 -10.944 1.00 0.00 C ATOM 457 CG LYS A 32 3.589 -8.602 -12.001 1.00 0.00 C ATOM 458 CD LYS A 32 3.826 -7.952 -13.366 1.00 0.00 C ATOM 459 CE LYS A 32 2.556 -7.266 -13.874 1.00 0.00 C ATOM 460 NZ LYS A 32 2.455 -7.386 -15.345 1.00 0.00 N ATOM 0 H LYS A 32 3.233 -5.939 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 32 3.689 -8.672 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.187 -7.601 -10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.438 -6.554 -11.344 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.479 -9.153 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.776 -9.325 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.632 -7.223 -13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.147 -8.708 -14.082 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.681 -7.716 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.565 -6.214 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.588 -6.915 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.282 -6.936 -15.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.425 -8.391 -15.610 1.00 0.00 H new ATOM 470 N LYS A 33 6.305 -6.888 -9.950 1.00 0.00 N ATOM 471 CA LYS A 33 7.736 -6.952 -10.190 1.00 0.00 C ATOM 472 C LYS A 33 8.424 -7.589 -8.981 1.00 0.00 C ATOM 473 O LYS A 33 9.420 -8.296 -9.129 1.00 0.00 O ATOM 474 CB LYS A 33 8.282 -5.569 -10.550 1.00 0.00 C ATOM 475 CG LYS A 33 7.667 -5.059 -11.855 1.00 0.00 C ATOM 476 CD LYS A 33 7.405 -3.553 -11.785 1.00 0.00 C ATOM 477 CE LYS A 33 7.172 -2.973 -13.182 1.00 0.00 C ATOM 478 NZ LYS A 33 7.562 -1.546 -13.222 1.00 0.00 N ATOM 0 H LYS A 33 5.940 -5.948 -9.796 1.00 0.00 H new ATOM 0 HA LYS A 33 7.949 -7.587 -11.050 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.066 -4.868 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.366 -5.617 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.337 -5.277 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.733 -5.586 -12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.535 -3.360 -11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.253 -3.054 -11.317 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.749 -3.535 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.122 -3.077 -13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.398 -1.168 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.993 -1.011 -12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.570 -1.455 -12.982 1.00 0.00 H new ATOM 488 N HIS A 34 7.866 -7.316 -7.811 1.00 0.00 N ATOM 489 CA HIS A 34 8.413 -7.853 -6.576 1.00 0.00 C ATOM 490 C HIS A 34 7.774 -9.211 -6.280 1.00 0.00 C ATOM 491 O HIS A 34 7.606 -10.032 -7.181 1.00 0.00 O ATOM 492 CB HIS A 34 8.244 -6.856 -5.428 1.00 0.00 C ATOM 493 CG HIS A 34 8.745 -5.466 -5.743 1.00 0.00 C ATOM 494 ND1 HIS A 34 8.141 -4.322 -5.250 1.00 0.00 N ATOM 495 CD2 HIS A 34 9.796 -5.049 -6.506 1.00 0.00 C ATOM 496 CE1 HIS A 34 8.807 -3.270 -5.702 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.832 -3.722 -6.481 1.00 0.00 N ATOM 0 H HIS A 34 7.040 -6.730 -7.692 1.00 0.00 H new ATOM 0 HA HIS A 34 9.486 -8.011 -6.688 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.188 -6.799 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.773 -7.232 -4.553 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.482 -5.690 -7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.579 -2.236 -5.491 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.513 -3.137 -6.964 1.00 0.00 H new ATOM 504 N GLY A 35 7.434 -9.406 -5.015 1.00 0.00 N ATOM 505 CA GLY A 35 6.817 -10.651 -4.588 1.00 0.00 C ATOM 506 C GLY A 35 5.368 -10.423 -4.153 1.00 0.00 C ATOM 507 O GLY A 35 4.959 -10.879 -3.086 1.00 0.00 O ATOM 0 H GLY A 35 7.574 -8.723 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.846 -11.374 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.386 -11.078 -3.762 1.00 0.00 H new ATOM 511 N ILE A 36 4.633 -9.718 -5.000 1.00 0.00 N ATOM 512 CA ILE A 36 3.238 -9.425 -4.715 1.00 0.00 C ATOM 513 C ILE A 36 2.651 -10.546 -3.855 1.00 0.00 C ATOM 514 O ILE A 36 1.960 -10.282 -2.873 1.00 0.00 O ATOM 515 CB ILE A 36 2.467 -9.177 -6.013 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.968 -9.040 -5.743 1.00 0.00 C ATOM 517 CG2 ILE A 36 2.765 -10.267 -7.044 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.705 -8.046 -4.608 1.00 0.00 C ATOM 0 H ILE A 36 4.976 -9.341 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 36 3.152 -8.503 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 36 2.806 -8.231 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.460 -8.707 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.551 -10.013 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.205 -10.067 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.832 -10.275 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.471 -11.237 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.368 -7.966 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.194 -8.395 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.102 -7.068 -4.881 1.00 0.00 H new ATOM 529 N GLU A 37 2.947 -11.773 -4.256 1.00 0.00 N ATOM 530 CA GLU A 37 2.458 -12.935 -3.535 1.00 0.00 C ATOM 531 C GLU A 37 2.312 -12.613 -2.046 1.00 0.00 C ATOM 532 O GLU A 37 1.198 -12.515 -1.534 1.00 0.00 O ATOM 533 CB GLU A 37 3.376 -14.140 -3.748 1.00 0.00 C ATOM 534 CG GLU A 37 3.231 -14.695 -5.167 1.00 0.00 C ATOM 535 CD GLU A 37 4.288 -15.765 -5.447 1.00 0.00 C ATOM 536 OE1 GLU A 37 5.447 -15.368 -5.697 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.914 -16.957 -5.405 1.00 0.00 O ATOM 0 H GLU A 37 3.520 -11.988 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 37 1.475 -13.195 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.411 -13.849 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.136 -14.918 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.235 -15.120 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.328 -13.885 -5.890 1.00 0.00 H new ATOM 542 N LYS A 38 3.455 -12.458 -1.393 1.00 0.00 N ATOM 543 CA LYS A 38 3.469 -12.150 0.027 1.00 0.00 C ATOM 544 C LYS A 38 2.573 -10.938 0.290 1.00 0.00 C ATOM 545 O LYS A 38 1.531 -11.061 0.934 1.00 0.00 O ATOM 546 CB LYS A 38 4.905 -11.971 0.522 1.00 0.00 C ATOM 547 CG LYS A 38 4.933 -11.634 2.014 1.00 0.00 C ATOM 548 CD LYS A 38 5.656 -12.725 2.809 1.00 0.00 C ATOM 549 CE LYS A 38 4.856 -13.118 4.053 1.00 0.00 C ATOM 550 NZ LYS A 38 3.888 -14.190 3.729 1.00 0.00 N ATOM 0 H LYS A 38 4.377 -12.540 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 38 3.059 -12.981 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.472 -12.884 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.392 -11.176 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.433 -10.677 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.914 -11.523 2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.807 -13.601 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.644 -12.371 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.534 -13.457 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.327 -12.248 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.353 -14.445 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.230 -13.854 2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.399 -15.025 3.379 1.00 0.00 H new ATOM 560 N VAL A 39 3.008 -9.798 -0.222 1.00 0.00 N ATOM 561 CA VAL A 39 2.258 -8.566 -0.050 1.00 0.00 C ATOM 562 C VAL A 39 0.766 -8.853 -0.223 1.00 0.00 C ATOM 563 O VAL A 39 -0.071 -8.231 0.430 1.00 0.00 O ATOM 564 CB VAL A 39 2.778 -7.497 -1.016 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.782 -6.342 -1.142 1.00 0.00 C ATOM 566 CG2 VAL A 39 4.155 -6.990 -0.583 1.00 0.00 C ATOM 0 H VAL A 39 3.871 -9.701 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 39 2.398 -8.172 0.956 1.00 0.00 H new ATOM 0 HB VAL A 39 2.885 -7.956 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.175 -5.597 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.832 -6.721 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.629 -5.885 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.501 -6.232 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.086 -6.556 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.861 -7.821 -0.569 1.00 0.00 H new ATOM 576 N ALA A 40 0.477 -9.796 -1.107 1.00 0.00 N ATOM 577 CA ALA A 40 -0.900 -10.175 -1.375 1.00 0.00 C ATOM 578 C ALA A 40 -1.536 -10.714 -0.091 1.00 0.00 C ATOM 579 O ALA A 40 -2.605 -10.260 0.314 1.00 0.00 O ATOM 580 CB ALA A 40 -0.938 -11.195 -2.515 1.00 0.00 C ATOM 0 H ALA A 40 1.173 -10.309 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.480 -9.309 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.971 -11.479 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.502 -10.755 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.368 -12.079 -2.231 1.00 0.00 H new ATOM 586 N GLU A 41 -0.851 -11.673 0.513 1.00 0.00 N ATOM 587 CA GLU A 41 -1.335 -12.277 1.743 1.00 0.00 C ATOM 588 C GLU A 41 -1.519 -11.209 2.822 1.00 0.00 C ATOM 589 O GLU A 41 -2.542 -11.182 3.505 1.00 0.00 O ATOM 590 CB GLU A 41 -0.389 -13.382 2.220 1.00 0.00 C ATOM 591 CG GLU A 41 -1.136 -14.414 3.067 1.00 0.00 C ATOM 592 CD GLU A 41 -0.478 -15.791 2.957 1.00 0.00 C ATOM 593 OE1 GLU A 41 -0.856 -16.527 2.020 1.00 0.00 O ATOM 594 OE2 GLU A 41 0.386 -16.077 3.814 1.00 0.00 O ATOM 0 H GLU A 41 0.035 -12.047 0.174 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.304 -12.734 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.066 -13.873 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.422 -12.945 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.148 -14.095 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.174 -14.476 2.740 1.00 0.00 H new ATOM 599 N GLN A 42 -0.514 -10.354 2.942 1.00 0.00 N ATOM 600 CA GLN A 42 -0.554 -9.287 3.927 1.00 0.00 C ATOM 601 C GLN A 42 -1.609 -8.248 3.542 1.00 0.00 C ATOM 602 O GLN A 42 -2.283 -7.693 4.408 1.00 0.00 O ATOM 603 CB GLN A 42 0.823 -8.637 4.087 1.00 0.00 C ATOM 604 CG GLN A 42 1.778 -9.558 4.848 1.00 0.00 C ATOM 605 CD GLN A 42 2.302 -8.878 6.115 1.00 0.00 C ATOM 606 OE1 GLN A 42 2.102 -7.698 6.345 1.00 0.00 O ATOM 607 NE2 GLN A 42 2.983 -9.689 6.922 1.00 0.00 N ATOM 0 H GLN A 42 0.333 -10.379 2.374 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.831 -9.718 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.238 -8.408 3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.723 -7.691 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.264 -10.482 5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.615 -9.832 4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.114 -10.668 6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.374 -9.331 7.793 1.00 0.00 H new ATOM 614 N VAL A 43 -1.718 -8.016 2.242 1.00 0.00 N ATOM 615 CA VAL A 43 -2.679 -7.053 1.732 1.00 0.00 C ATOM 616 C VAL A 43 -4.094 -7.612 1.902 1.00 0.00 C ATOM 617 O VAL A 43 -5.019 -6.876 2.241 1.00 0.00 O ATOM 618 CB VAL A 43 -2.347 -6.700 0.281 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.567 -6.117 -0.435 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.158 -5.742 0.208 1.00 0.00 C ATOM 0 H VAL A 43 -1.157 -8.478 1.527 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.626 -6.124 2.299 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.067 -7.620 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.303 -5.875 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.376 -6.848 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.892 -5.212 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.943 -5.507 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.397 -4.824 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.285 -6.211 0.662 1.00 0.00 H new ATOM 630 N MET A 44 -4.216 -8.910 1.661 1.00 0.00 N ATOM 631 CA MET A 44 -5.501 -9.575 1.784 1.00 0.00 C ATOM 632 C MET A 44 -6.010 -9.525 3.227 1.00 0.00 C ATOM 633 O MET A 44 -7.191 -9.279 3.465 1.00 0.00 O ATOM 634 CB MET A 44 -5.366 -11.033 1.341 1.00 0.00 C ATOM 635 CG MET A 44 -6.713 -11.592 0.878 1.00 0.00 C ATOM 636 SD MET A 44 -6.456 -13.029 -0.150 1.00 0.00 S ATOM 637 CE MET A 44 -6.788 -14.322 1.034 1.00 0.00 C ATOM 0 H MET A 44 -3.446 -9.518 1.381 1.00 0.00 H new ATOM 0 HA MET A 44 -6.219 -9.057 1.148 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.640 -11.105 0.531 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.983 -11.634 2.166 1.00 0.00 H new ATOM 0 HG2 MET A 44 -7.323 -11.857 1.742 1.00 0.00 H new ATOM 0 HG3 MET A 44 -7.261 -10.831 0.323 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.672 -15.294 0.554 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.088 -14.242 1.866 1.00 0.00 H new ATOM 0 HE3 MET A 44 -7.807 -14.221 1.407 1.00 0.00 H new ATOM 645 N LYS A 45 -5.092 -9.762 4.152 1.00 0.00 N ATOM 646 CA LYS A 45 -5.431 -9.747 5.565 1.00 0.00 C ATOM 647 C LYS A 45 -5.489 -8.299 6.055 1.00 0.00 C ATOM 648 O LYS A 45 -6.136 -8.006 7.060 1.00 0.00 O ATOM 649 CB LYS A 45 -4.464 -10.627 6.359 1.00 0.00 C ATOM 650 CG LYS A 45 -4.698 -12.109 6.058 1.00 0.00 C ATOM 651 CD LYS A 45 -5.972 -12.611 6.739 1.00 0.00 C ATOM 652 CE LYS A 45 -6.905 -13.284 5.729 1.00 0.00 C ATOM 653 NZ LYS A 45 -8.068 -13.884 6.419 1.00 0.00 N ATOM 0 H LYS A 45 -4.113 -9.966 3.951 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.419 -10.178 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.437 -10.360 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.593 -10.444 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.774 -12.258 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.844 -12.693 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.713 -13.318 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.487 -11.777 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.247 -12.552 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.363 -14.054 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.691 -14.336 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.738 -14.597 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.594 -13.141 6.922 1.00 0.00 H new ATOM 663 N ALA A 46 -4.806 -7.432 5.324 1.00 0.00 N ATOM 664 CA ALA A 46 -4.771 -6.021 5.672 1.00 0.00 C ATOM 665 C ALA A 46 -6.054 -5.347 5.179 1.00 0.00 C ATOM 666 O ALA A 46 -6.721 -4.645 5.937 1.00 0.00 O ATOM 667 CB ALA A 46 -3.513 -5.380 5.083 1.00 0.00 C ATOM 0 H ALA A 46 -4.272 -7.679 4.491 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.725 -5.894 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.487 -4.322 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.630 -5.875 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.525 -5.486 3.998 1.00 0.00 H new ATOM 673 N ASP A 47 -6.360 -5.585 3.912 1.00 0.00 N ATOM 674 CA ASP A 47 -7.550 -5.010 3.309 1.00 0.00 C ATOM 675 C ASP A 47 -8.745 -5.928 3.575 1.00 0.00 C ATOM 676 O ASP A 47 -9.477 -6.283 2.651 1.00 0.00 O ATOM 677 CB ASP A 47 -7.389 -4.871 1.794 1.00 0.00 C ATOM 678 CG ASP A 47 -8.433 -3.986 1.111 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.633 -4.299 1.268 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.008 -3.015 0.447 1.00 0.00 O ATOM 0 H ASP A 47 -5.804 -6.168 3.287 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.706 -4.024 3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.399 -4.466 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.428 -5.864 1.347 1.00 0.00 H new ATOM 684 N ALA A 48 -8.907 -6.286 4.840 1.00 0.00 N ATOM 685 CA ALA A 48 -10.000 -7.155 5.238 1.00 0.00 C ATOM 686 C ALA A 48 -11.199 -6.301 5.658 1.00 0.00 C ATOM 687 O ALA A 48 -11.904 -6.639 6.607 1.00 0.00 O ATOM 688 CB ALA A 48 -9.530 -8.089 6.356 1.00 0.00 C ATOM 0 H ALA A 48 -8.299 -5.989 5.603 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.316 -7.780 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.351 -8.741 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.697 -8.694 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.207 -7.497 7.213 1.00 0.00 H new ATOM 694 N ASN A 49 -11.391 -5.211 4.931 1.00 0.00 N ATOM 695 CA ASN A 49 -12.491 -4.306 5.217 1.00 0.00 C ATOM 696 C ASN A 49 -13.565 -4.459 4.138 1.00 0.00 C ATOM 697 O ASN A 49 -14.733 -4.152 4.372 1.00 0.00 O ATOM 698 CB ASN A 49 -12.021 -2.849 5.212 1.00 0.00 C ATOM 699 CG ASN A 49 -12.282 -2.185 6.565 1.00 0.00 C ATOM 700 OD1 ASN A 49 -13.202 -2.531 7.289 1.00 0.00 O ATOM 701 ND2 ASN A 49 -11.425 -1.214 6.865 1.00 0.00 N ATOM 0 H ASN A 49 -10.804 -4.934 4.144 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.885 -4.555 6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.956 -2.807 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.539 -2.299 4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.515 -0.708 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.677 -0.975 6.214 1.00 0.00 H new ATOM 707 N GLY A 50 -13.131 -4.935 2.980 1.00 0.00 N ATOM 708 CA GLY A 50 -14.041 -5.134 1.865 1.00 0.00 C ATOM 709 C GLY A 50 -13.280 -5.191 0.539 1.00 0.00 C ATOM 710 O GLY A 50 -13.373 -6.176 -0.192 1.00 0.00 O ATOM 0 H GLY A 50 -12.161 -5.189 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.600 -6.059 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.769 -4.323 1.836 1.00 0.00 H new ATOM 714 N ASP A 51 -12.545 -4.123 0.270 1.00 0.00 N ATOM 715 CA ASP A 51 -11.767 -4.038 -0.955 1.00 0.00 C ATOM 716 C ASP A 51 -11.497 -2.569 -1.284 1.00 0.00 C ATOM 717 O ASP A 51 -12.043 -2.033 -2.247 1.00 0.00 O ATOM 718 CB ASP A 51 -12.526 -4.654 -2.132 1.00 0.00 C ATOM 719 CG ASP A 51 -12.142 -6.097 -2.466 1.00 0.00 C ATOM 720 OD1 ASP A 51 -11.286 -6.640 -1.735 1.00 0.00 O ATOM 721 OD2 ASP A 51 -12.714 -6.624 -3.445 1.00 0.00 O ATOM 0 H ASP A 51 -12.471 -3.308 0.879 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.835 -4.582 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.593 -4.619 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.360 -4.036 -3.015 1.00 0.00 H new ATOM 725 N GLY A 52 -10.655 -1.957 -0.463 1.00 0.00 N ATOM 726 CA GLY A 52 -10.306 -0.560 -0.654 1.00 0.00 C ATOM 727 C GLY A 52 -8.825 -0.408 -1.004 1.00 0.00 C ATOM 728 O GLY A 52 -8.255 -1.254 -1.692 1.00 0.00 O ATOM 0 H GLY A 52 -10.205 -2.404 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.917 -0.134 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.528 0.001 0.253 1.00 0.00 H new ATOM 732 N TYR A 53 -8.242 0.677 -0.515 1.00 0.00 N ATOM 733 CA TYR A 53 -6.838 0.951 -0.768 1.00 0.00 C ATOM 734 C TYR A 53 -6.166 1.557 0.466 1.00 0.00 C ATOM 735 O TYR A 53 -6.844 1.964 1.409 1.00 0.00 O ATOM 736 CB TYR A 53 -6.806 1.974 -1.906 1.00 0.00 C ATOM 737 CG TYR A 53 -7.949 2.990 -1.861 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.097 3.814 -0.764 1.00 0.00 C ATOM 739 CD2 TYR A 53 -8.832 3.082 -2.918 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.174 4.770 -0.723 1.00 0.00 C ATOM 741 CE2 TYR A 53 -9.907 4.038 -2.876 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.025 4.834 -1.780 1.00 0.00 C ATOM 743 OH TYR A 53 -11.042 5.737 -1.741 1.00 0.00 O ATOM 0 H TYR A 53 -8.717 1.377 0.055 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.307 0.032 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.857 2.509 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.841 1.444 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.406 3.742 0.063 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.716 2.437 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.302 5.421 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.604 4.121 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.569 5.672 -2.564 1.00 0.00 H new ATOM 752 N ILE A 54 -4.843 1.597 0.420 1.00 0.00 N ATOM 753 CA ILE A 54 -4.073 2.147 1.523 1.00 0.00 C ATOM 754 C ILE A 54 -3.691 3.594 1.202 1.00 0.00 C ATOM 755 O ILE A 54 -2.765 3.838 0.430 1.00 0.00 O ATOM 756 CB ILE A 54 -2.874 1.250 1.839 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.119 0.435 3.110 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.584 2.068 1.922 1.00 0.00 C ATOM 759 CD1 ILE A 54 -3.894 -0.847 2.799 1.00 0.00 C ATOM 0 H ILE A 54 -4.284 1.258 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.673 2.170 2.432 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.753 0.541 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.165 0.184 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.676 1.035 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.748 1.406 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.406 2.565 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.678 2.816 2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.055 -1.408 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.857 -0.592 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.323 -1.456 2.098 1.00 0.00 H new ATOM 770 N THR A 55 -4.424 4.514 1.811 1.00 0.00 N ATOM 771 CA THR A 55 -4.173 5.930 1.599 1.00 0.00 C ATOM 772 C THR A 55 -3.273 6.484 2.706 1.00 0.00 C ATOM 773 O THR A 55 -3.390 6.084 3.864 1.00 0.00 O ATOM 774 CB THR A 55 -5.525 6.641 1.503 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.117 6.435 2.783 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.483 5.945 0.534 1.00 0.00 C ATOM 0 H THR A 55 -5.191 4.307 2.451 1.00 0.00 H new ATOM 0 HA THR A 55 -3.633 6.100 0.668 1.00 0.00 H new ATOM 0 HB THR A 55 -5.372 7.672 1.186 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.054 6.723 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.427 6.489 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.042 5.926 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.663 4.924 0.871 1.00 0.00 H new ATOM 784 N LEU A 56 -2.396 7.395 2.312 1.00 0.00 N ATOM 785 CA LEU A 56 -1.478 8.007 3.257 1.00 0.00 C ATOM 786 C LEU A 56 -2.195 8.227 4.590 1.00 0.00 C ATOM 787 O LEU A 56 -1.615 8.014 5.653 1.00 0.00 O ATOM 788 CB LEU A 56 -0.874 9.283 2.666 1.00 0.00 C ATOM 789 CG LEU A 56 -1.872 10.353 2.218 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.956 11.487 3.241 1.00 0.00 C ATOM 791 CD2 LEU A 56 -1.532 10.868 0.818 1.00 0.00 C ATOM 0 H LEU A 56 -2.302 7.724 1.351 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.636 7.344 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.208 9.724 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.259 9.007 1.810 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.860 9.896 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.672 12.234 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.281 11.087 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.975 11.949 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.257 11.627 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.533 11.303 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.564 10.041 0.108 1.00 0.00 H new ATOM 802 N GLU A 57 -3.447 8.650 4.490 1.00 0.00 N ATOM 803 CA GLU A 57 -4.249 8.901 5.675 1.00 0.00 C ATOM 804 C GLU A 57 -4.537 7.589 6.408 1.00 0.00 C ATOM 805 O GLU A 57 -4.307 7.483 7.612 1.00 0.00 O ATOM 806 CB GLU A 57 -5.548 9.623 5.314 1.00 0.00 C ATOM 807 CG GLU A 57 -6.400 8.780 4.364 1.00 0.00 C ATOM 808 CD GLU A 57 -7.588 9.584 3.833 1.00 0.00 C ATOM 809 OE1 GLU A 57 -7.365 10.373 2.890 1.00 0.00 O ATOM 810 OE2 GLU A 57 -8.695 9.391 4.383 1.00 0.00 O ATOM 0 H GLU A 57 -3.925 8.825 3.606 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.683 9.551 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.113 9.837 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.318 10.581 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.788 8.435 3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.760 7.892 4.884 1.00 0.00 H new ATOM 815 N GLU A 58 -5.035 6.622 5.652 1.00 0.00 N ATOM 816 CA GLU A 58 -5.357 5.322 6.215 1.00 0.00 C ATOM 817 C GLU A 58 -4.080 4.606 6.660 1.00 0.00 C ATOM 818 O GLU A 58 -4.069 3.932 7.689 1.00 0.00 O ATOM 819 CB GLU A 58 -6.142 4.471 5.216 1.00 0.00 C ATOM 820 CG GLU A 58 -6.680 3.201 5.879 1.00 0.00 C ATOM 821 CD GLU A 58 -8.210 3.178 5.860 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.798 4.161 6.360 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.755 2.180 5.344 1.00 0.00 O ATOM 0 H GLU A 58 -5.224 6.713 4.654 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.990 5.473 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.970 5.052 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.499 4.203 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.293 2.324 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.325 3.145 6.908 1.00 0.00 H new ATOM 828 N PHE A 59 -3.035 4.778 5.865 1.00 0.00 N ATOM 829 CA PHE A 59 -1.756 4.157 6.164 1.00 0.00 C ATOM 830 C PHE A 59 -1.216 4.638 7.512 1.00 0.00 C ATOM 831 O PHE A 59 -0.733 3.838 8.313 1.00 0.00 O ATOM 832 CB PHE A 59 -0.784 4.577 5.059 1.00 0.00 C ATOM 833 CG PHE A 59 0.210 3.486 4.656 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.207 2.196 4.539 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.509 3.805 4.415 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.716 1.184 4.166 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.432 2.793 4.042 1.00 0.00 C ATOM 838 CZ PHE A 59 2.016 1.503 3.925 1.00 0.00 C ATOM 0 H PHE A 59 -3.048 5.339 5.013 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.871 3.074 6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.356 4.875 4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.229 5.454 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.239 1.942 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.839 4.829 4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.386 0.160 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.464 3.047 3.851 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.718 0.733 3.641 1.00 0.00 H new ATOM 847 N LEU A 60 -1.313 5.943 7.721 1.00 0.00 N ATOM 848 CA LEU A 60 -0.839 6.540 8.958 1.00 0.00 C ATOM 849 C LEU A 60 -1.739 6.093 10.112 1.00 0.00 C ATOM 850 O LEU A 60 -1.302 5.360 10.997 1.00 0.00 O ATOM 851 CB LEU A 60 -0.733 8.059 8.813 1.00 0.00 C ATOM 852 CG LEU A 60 0.280 8.750 9.728 1.00 0.00 C ATOM 853 CD1 LEU A 60 1.254 9.609 8.917 1.00 0.00 C ATOM 854 CD2 LEU A 60 -0.427 9.560 10.816 1.00 0.00 C ATOM 0 H LEU A 60 -1.713 6.603 7.054 1.00 0.00 H new ATOM 0 HA LEU A 60 0.169 6.194 9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.475 8.288 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.716 8.492 9.000 1.00 0.00 H new ATOM 0 HG LEU A 60 0.868 7.981 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.964 10.089 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.794 8.978 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.699 10.372 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.316 10.041 11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.055 10.321 10.353 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.046 8.896 11.419 1.00 0.00 H new ATOM 865 N GLU A 61 -2.980 6.555 10.065 1.00 0.00 N ATOM 866 CA GLU A 61 -3.946 6.214 11.095 1.00 0.00 C ATOM 867 C GLU A 61 -3.806 4.741 11.486 1.00 0.00 C ATOM 868 O GLU A 61 -3.948 4.390 12.656 1.00 0.00 O ATOM 869 CB GLU A 61 -5.372 6.526 10.636 1.00 0.00 C ATOM 870 CG GLU A 61 -6.188 7.153 11.768 1.00 0.00 C ATOM 871 CD GLU A 61 -7.108 8.253 11.236 1.00 0.00 C ATOM 872 OE1 GLU A 61 -6.614 9.396 11.114 1.00 0.00 O ATOM 873 OE2 GLU A 61 -8.283 7.928 10.964 1.00 0.00 O ATOM 0 H GLU A 61 -3.339 7.163 9.329 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.741 6.825 11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.343 7.206 9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.857 5.611 10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.782 6.384 12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.516 7.568 12.519 1.00 0.00 H new ATOM 878 N PHE A 62 -3.529 3.920 10.484 1.00 0.00 N ATOM 879 CA PHE A 62 -3.368 2.493 10.708 1.00 0.00 C ATOM 880 C PHE A 62 -2.329 2.224 11.798 1.00 0.00 C ATOM 881 O PHE A 62 -2.532 1.366 12.656 1.00 0.00 O ATOM 882 CB PHE A 62 -2.880 1.886 9.392 1.00 0.00 C ATOM 883 CG PHE A 62 -3.923 1.023 8.680 1.00 0.00 C ATOM 884 CD1 PHE A 62 -4.605 0.070 9.372 1.00 0.00 C ATOM 885 CD2 PHE A 62 -4.168 1.206 7.355 1.00 0.00 C ATOM 886 CE1 PHE A 62 -5.573 -0.731 8.711 1.00 0.00 C ATOM 887 CE2 PHE A 62 -5.136 0.404 6.694 1.00 0.00 C ATOM 888 CZ PHE A 62 -5.818 -0.547 7.386 1.00 0.00 C ATOM 0 H PHE A 62 -3.412 4.215 9.515 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.314 2.057 11.030 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.573 2.691 8.724 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.996 1.280 9.589 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.410 -0.077 10.424 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.626 1.961 6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.115 -1.487 9.260 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.330 0.550 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.554 -1.156 6.883 1.00 0.00 H new ATOM 897 N SER A 63 -1.238 2.971 11.728 1.00 0.00 N ATOM 898 CA SER A 63 -0.166 2.823 12.697 1.00 0.00 C ATOM 899 C SER A 63 -0.536 3.535 14.000 1.00 0.00 C ATOM 900 O SER A 63 -0.091 3.140 15.076 1.00 0.00 O ATOM 901 CB SER A 63 1.154 3.373 12.149 1.00 0.00 C ATOM 902 OG SER A 63 1.143 4.795 12.060 1.00 0.00 O ATOM 0 H SER A 63 -1.073 3.681 11.015 1.00 0.00 H new ATOM 0 HA SER A 63 -0.031 1.760 12.896 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.974 3.056 12.793 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.342 2.949 11.162 1.00 0.00 H new ATOM 0 HG SER A 63 0.272 5.095 11.726 1.00 0.00 H new ATOM 907 N LEU A 64 -1.347 4.574 13.859 1.00 0.00 N ATOM 908 CA LEU A 64 -1.782 5.345 15.011 1.00 0.00 C ATOM 909 C LEU A 64 -2.870 4.570 15.757 1.00 0.00 C ATOM 910 O LEU A 64 -3.046 4.744 16.961 1.00 0.00 O ATOM 911 CB LEU A 64 -2.212 6.751 14.584 1.00 0.00 C ATOM 912 CG LEU A 64 -2.689 7.676 15.705 1.00 0.00 C ATOM 913 CD1 LEU A 64 -2.096 9.078 15.549 1.00 0.00 C ATOM 914 CD2 LEU A 64 -4.216 7.705 15.780 1.00 0.00 C ATOM 0 H LEU A 64 -1.714 4.899 12.965 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.956 5.487 15.708 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.372 7.228 14.079 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.014 6.657 13.851 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.328 7.277 16.653 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.451 9.715 16.359 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.008 9.019 15.584 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.406 9.500 14.593 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.528 8.370 16.585 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.620 8.066 14.834 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.590 6.700 15.974 1.00 0.00 H new TER 925 LEU A 64 HETATM 926 LA LA A 226 -3.305 4.743 -7.174 1.00 0.00 LA