USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN :FLIP amide:sc= -1.42 F(o=-5!,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= -0.47 (180deg=-2.09) USER MOD Single : A 14 SER OG : rot 64:sc= 0.411 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.13) USER MOD Single : A 17 LYS NZ :NH3+ 143:sc= 1.1 (180deg=-0.128) USER MOD Single : A 25 SER OG : rot 154:sc= -0.537 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0524) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.03) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -141:sc= -0.115 (180deg=-0.727) USER MOD Single : A 40 THR OG1 : rot -150:sc= 0.133 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -160:sc= -0.164 (180deg=-0.696) USER MOD Single : A 61 TYR OH : rot -15:sc= -0.125 USER MOD Single : A 62 SER OG : rot 51:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -0.0813 (180deg=-0.436) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 6.202 2.367 10.247 1.00 33.25 N ATOM 57 CA GLY A 4 5.622 1.831 9.039 1.00 42.25 C ATOM 58 C GLY A 4 6.406 0.670 8.474 1.00 41.24 C ATOM 59 O GLY A 4 7.584 0.480 8.795 1.00 3.43 O ATOM 0 HA2 GLY A 4 4.602 1.508 9.245 1.00 42.25 H new ATOM 0 HA3 GLY A 4 5.561 2.621 8.290 1.00 42.25 H new ATOM 63 N ILE A 5 5.744 -0.100 7.632 1.00 74.24 N ATOM 64 CA ILE A 5 6.354 -1.231 6.957 1.00 64.14 C ATOM 65 C ILE A 5 6.145 -1.090 5.457 1.00 14.04 C ATOM 66 O ILE A 5 5.528 -0.124 5.008 1.00 42.21 O ATOM 67 CB ILE A 5 5.753 -2.574 7.435 1.00 60.24 C ATOM 68 CG1 ILE A 5 4.234 -2.590 7.215 1.00 74.14 C ATOM 69 CG2 ILE A 5 6.090 -2.815 8.900 1.00 11.21 C ATOM 70 CD1 ILE A 5 3.573 -3.888 7.629 1.00 33.53 C ATOM 0 H ILE A 5 4.762 0.042 7.395 1.00 74.24 H new ATOM 0 HA ILE A 5 7.418 -1.235 7.195 1.00 64.14 H new ATOM 0 HB ILE A 5 6.191 -3.381 6.847 1.00 60.24 H new ATOM 0 HG12 ILE A 5 3.786 -1.769 7.775 1.00 74.14 H new ATOM 0 HG13 ILE A 5 4.026 -2.407 6.161 1.00 74.14 H new ATOM 0 HG21 ILE A 5 5.660 -3.764 9.221 1.00 11.21 H new ATOM 0 HG22 ILE A 5 7.172 -2.847 9.024 1.00 11.21 H new ATOM 0 HG23 ILE A 5 5.679 -2.007 9.506 1.00 11.21 H new ATOM 0 HD11 ILE A 5 2.501 -3.825 7.444 1.00 33.53 H new ATOM 0 HD12 ILE A 5 3.993 -4.711 7.051 1.00 33.53 H new ATOM 0 HD13 ILE A 5 3.749 -4.064 8.690 1.00 33.53 H new ATOM 82 N GLY A 6 6.652 -2.033 4.685 1.00 35.41 N ATOM 83 CA GLY A 6 6.438 -1.991 3.259 1.00 70.31 C ATOM 84 C GLY A 6 5.041 -2.447 2.909 1.00 24.25 C ATOM 85 O GLY A 6 4.493 -3.330 3.568 1.00 62.44 O ATOM 0 H GLY A 6 7.205 -2.823 5.018 1.00 35.41 H new ATOM 0 HA2 GLY A 6 6.596 -0.976 2.893 1.00 70.31 H new ATOM 0 HA3 GLY A 6 7.168 -2.627 2.759 1.00 70.31 H new ATOM 89 N LEU A 7 4.464 -1.851 1.877 1.00 1.41 N ATOM 90 CA LEU A 7 3.088 -2.145 1.485 1.00 61.00 C ATOM 91 C LEU A 7 2.894 -3.634 1.183 1.00 62.11 C ATOM 92 O LEU A 7 1.818 -4.188 1.397 1.00 12.05 O ATOM 93 CB LEU A 7 2.706 -1.308 0.267 1.00 31.23 C ATOM 94 CG LEU A 7 1.254 -1.444 -0.189 1.00 75.02 C ATOM 95 CD1 LEU A 7 0.304 -0.961 0.893 1.00 63.44 C ATOM 96 CD2 LEU A 7 1.035 -0.672 -1.476 1.00 20.13 C ATOM 0 H LEU A 7 4.928 -1.157 1.291 1.00 1.41 H new ATOM 0 HA LEU A 7 2.438 -1.889 2.321 1.00 61.00 H new ATOM 0 HB2 LEU A 7 2.903 -0.260 0.491 1.00 31.23 H new ATOM 0 HB3 LEU A 7 3.357 -1.584 -0.562 1.00 31.23 H new ATOM 0 HG LEU A 7 1.047 -2.498 -0.376 1.00 75.02 H new ATOM 0 HD11 LEU A 7 -0.724 -1.067 0.548 1.00 63.44 H new ATOM 0 HD12 LEU A 7 0.447 -1.556 1.795 1.00 63.44 H new ATOM 0 HD13 LEU A 7 0.507 0.087 1.114 1.00 63.44 H new ATOM 0 HD21 LEU A 7 -0.003 -0.777 -1.791 1.00 20.13 H new ATOM 0 HD22 LEU A 7 1.260 0.382 -1.311 1.00 20.13 H new ATOM 0 HD23 LEU A 7 1.691 -1.066 -2.252 1.00 20.13 H new ATOM 108 N ASN A 8 3.947 -4.280 0.698 1.00 54.45 N ATOM 109 CA ASN A 8 3.891 -5.706 0.374 1.00 43.23 C ATOM 110 C ASN A 8 3.825 -6.578 1.633 1.00 51.20 C ATOM 111 O ASN A 8 3.642 -7.793 1.544 1.00 25.24 O ATOM 112 CB ASN A 8 5.095 -6.120 -0.489 1.00 1.45 C ATOM 113 CG ASN A 8 6.419 -6.183 0.269 1.00 35.53 C ATOM 114 OD1 ASN A 8 6.616 -5.295 1.236 1.00 53.02 O flip ATOM 115 ND2 ASN A 8 7.265 -7.027 -0.025 1.00 44.34 N flip ATOM 0 H ASN A 8 4.851 -3.842 0.519 1.00 54.45 H new ATOM 0 HA ASN A 8 2.974 -5.867 -0.193 1.00 43.23 H new ATOM 0 HB2 ASN A 8 4.894 -7.097 -0.928 1.00 1.45 H new ATOM 0 HB3 ASN A 8 5.195 -5.415 -1.314 1.00 1.45 H new ATOM 0 HD21 ASN A 8 7.081 -7.695 -0.774 1.00 44.34 H new ATOM 0 HD22 ASN A 8 8.151 -7.059 0.480 1.00 44.34 H new ATOM 122 N GLU A 9 3.961 -5.962 2.802 1.00 53.24 N ATOM 123 CA GLU A 9 3.971 -6.693 4.058 1.00 41.14 C ATOM 124 C GLU A 9 2.638 -6.549 4.790 1.00 41.45 C ATOM 125 O GLU A 9 2.469 -7.069 5.894 1.00 25.10 O ATOM 126 CB GLU A 9 5.102 -6.171 4.940 1.00 13.41 C ATOM 127 CG GLU A 9 6.479 -6.315 4.320 1.00 42.42 C ATOM 128 CD GLU A 9 7.564 -5.682 5.166 1.00 53.23 C ATOM 129 OE1 GLU A 9 7.765 -4.456 5.067 1.00 51.14 O ATOM 130 OE2 GLU A 9 8.228 -6.406 5.935 1.00 14.43 O ATOM 0 H GLU A 9 4.066 -4.952 2.903 1.00 53.24 H new ATOM 0 HA GLU A 9 4.127 -7.750 3.841 1.00 41.14 H new ATOM 0 HB2 GLU A 9 4.922 -5.119 5.161 1.00 13.41 H new ATOM 0 HB3 GLU A 9 5.084 -6.704 5.891 1.00 13.41 H new ATOM 0 HG2 GLU A 9 6.702 -7.373 4.180 1.00 42.42 H new ATOM 0 HG3 GLU A 9 6.479 -5.856 3.331 1.00 42.42 H new ATOM 137 N VAL A 10 1.697 -5.847 4.171 1.00 71.41 N ATOM 138 CA VAL A 10 0.409 -5.577 4.802 1.00 15.31 C ATOM 139 C VAL A 10 -0.585 -6.705 4.513 1.00 51.53 C ATOM 140 O VAL A 10 -0.437 -7.445 3.536 1.00 12.33 O ATOM 141 CB VAL A 10 -0.180 -4.229 4.323 1.00 4.04 C ATOM 142 CG1 VAL A 10 -1.383 -3.819 5.162 1.00 34.54 C ATOM 143 CG2 VAL A 10 0.881 -3.138 4.353 1.00 54.00 C ATOM 0 H VAL A 10 1.800 -5.455 3.235 1.00 71.41 H new ATOM 0 HA VAL A 10 0.579 -5.519 5.877 1.00 15.31 H new ATOM 0 HB VAL A 10 -0.516 -4.363 3.295 1.00 4.04 H new ATOM 0 HG11 VAL A 10 -1.773 -2.868 4.799 1.00 34.54 H new ATOM 0 HG12 VAL A 10 -2.158 -4.582 5.084 1.00 34.54 H new ATOM 0 HG13 VAL A 10 -1.081 -3.713 6.204 1.00 34.54 H new ATOM 0 HG21 VAL A 10 0.446 -2.198 4.012 1.00 54.00 H new ATOM 0 HG22 VAL A 10 1.251 -3.019 5.371 1.00 54.00 H new ATOM 0 HG23 VAL A 10 1.706 -3.415 3.697 1.00 54.00 H new ATOM 153 N GLU A 11 -1.592 -6.824 5.367 1.00 12.11 N ATOM 154 CA GLU A 11 -2.597 -7.869 5.248 1.00 14.00 C ATOM 155 C GLU A 11 -3.859 -7.313 4.580 1.00 53.45 C ATOM 156 O GLU A 11 -3.943 -6.119 4.298 1.00 55.13 O ATOM 157 CB GLU A 11 -2.916 -8.438 6.638 1.00 4.35 C ATOM 158 CG GLU A 11 -3.678 -9.754 6.625 1.00 64.20 C ATOM 159 CD GLU A 11 -3.819 -10.354 8.006 1.00 45.21 C ATOM 160 OE1 GLU A 11 -4.594 -9.814 8.822 1.00 45.13 O ATOM 161 OE2 GLU A 11 -3.149 -11.368 8.287 1.00 65.43 O ATOM 0 H GLU A 11 -1.734 -6.199 6.161 1.00 12.11 H new ATOM 0 HA GLU A 11 -2.211 -8.675 4.623 1.00 14.00 H new ATOM 0 HB2 GLU A 11 -1.982 -8.580 7.181 1.00 4.35 H new ATOM 0 HB3 GLU A 11 -3.498 -7.702 7.192 1.00 4.35 H new ATOM 0 HG2 GLU A 11 -4.668 -9.593 6.199 1.00 64.20 H new ATOM 0 HG3 GLU A 11 -3.163 -10.462 5.975 1.00 64.20 H new ATOM 168 N ILE A 12 -4.833 -8.178 4.332 1.00 55.44 N ATOM 169 CA ILE A 12 -6.042 -7.793 3.613 1.00 61.40 C ATOM 170 C ILE A 12 -7.039 -7.071 4.518 1.00 41.54 C ATOM 171 O ILE A 12 -6.972 -7.178 5.746 1.00 54.10 O ATOM 172 CB ILE A 12 -6.733 -9.022 2.980 1.00 52.15 C ATOM 173 CG1 ILE A 12 -7.109 -10.039 4.063 1.00 72.31 C ATOM 174 CG2 ILE A 12 -5.824 -9.661 1.938 1.00 62.51 C ATOM 175 CD1 ILE A 12 -7.895 -11.224 3.544 1.00 60.42 C ATOM 0 H ILE A 12 -4.810 -9.156 4.619 1.00 55.44 H new ATOM 0 HA ILE A 12 -5.726 -7.109 2.825 1.00 61.40 H new ATOM 0 HB ILE A 12 -7.647 -8.693 2.485 1.00 52.15 H new ATOM 0 HG12 ILE A 12 -6.198 -10.400 4.540 1.00 72.31 H new ATOM 0 HG13 ILE A 12 -7.694 -9.536 4.833 1.00 72.31 H new ATOM 0 HG21 ILE A 12 -6.323 -10.525 1.500 1.00 62.51 H new ATOM 0 HG22 ILE A 12 -5.602 -8.936 1.155 1.00 62.51 H new ATOM 0 HG23 ILE A 12 -4.895 -9.980 2.412 1.00 62.51 H new ATOM 0 HD11 ILE A 12 -8.124 -11.899 4.369 1.00 60.42 H new ATOM 0 HD12 ILE A 12 -8.824 -10.875 3.093 1.00 60.42 H new ATOM 0 HD13 ILE A 12 -7.304 -11.753 2.796 1.00 60.42 H new ATOM 187 N LYS A 13 -7.944 -6.322 3.888 1.00 74.20 N ATOM 188 CA LYS A 13 -9.028 -5.617 4.576 1.00 52.20 C ATOM 189 C LYS A 13 -8.479 -4.626 5.597 1.00 64.25 C ATOM 190 O LYS A 13 -9.075 -4.408 6.654 1.00 34.41 O ATOM 191 CB LYS A 13 -9.977 -6.610 5.258 1.00 20.54 C ATOM 192 CG LYS A 13 -10.506 -7.694 4.328 1.00 43.02 C ATOM 193 CD LYS A 13 -11.667 -8.476 4.937 1.00 22.20 C ATOM 194 CE LYS A 13 -11.305 -9.164 6.249 1.00 11.10 C ATOM 195 NZ LYS A 13 -11.375 -8.240 7.414 1.00 2.10 N ATOM 0 H LYS A 13 -7.946 -6.186 2.877 1.00 74.20 H new ATOM 0 HA LYS A 13 -9.588 -5.059 3.826 1.00 52.20 H new ATOM 0 HB2 LYS A 13 -9.456 -7.082 6.091 1.00 20.54 H new ATOM 0 HB3 LYS A 13 -10.820 -6.062 5.678 1.00 20.54 H new ATOM 0 HG2 LYS A 13 -10.831 -7.238 3.393 1.00 43.02 H new ATOM 0 HG3 LYS A 13 -9.698 -8.383 4.083 1.00 43.02 H new ATOM 0 HD2 LYS A 13 -12.503 -7.798 5.108 1.00 22.20 H new ATOM 0 HD3 LYS A 13 -12.006 -9.226 4.222 1.00 22.20 H new ATOM 0 HE2 LYS A 13 -11.980 -10.004 6.414 1.00 11.10 H new ATOM 0 HE3 LYS A 13 -10.298 -9.575 6.175 1.00 11.10 H new ATOM 0 HZ1 LYS A 13 -10.416 -8.062 7.774 1.00 2.10 H new ATOM 0 HZ2 LYS A 13 -11.806 -7.341 7.119 1.00 2.10 H new ATOM 0 HZ3 LYS A 13 -11.952 -8.671 8.164 1.00 2.10 H new ATOM 209 N SER A 14 -7.358 -4.006 5.267 1.00 63.44 N ATOM 210 CA SER A 14 -6.714 -3.076 6.171 1.00 20.21 C ATOM 211 C SER A 14 -6.371 -1.774 5.455 1.00 23.34 C ATOM 212 O SER A 14 -6.143 -1.760 4.244 1.00 32.54 O ATOM 213 CB SER A 14 -5.447 -3.706 6.747 1.00 30.32 C ATOM 214 OG SER A 14 -5.712 -5.001 7.263 1.00 70.02 O ATOM 0 H SER A 14 -6.876 -4.132 4.377 1.00 63.44 H new ATOM 0 HA SER A 14 -7.405 -2.848 6.983 1.00 20.21 H new ATOM 0 HB2 SER A 14 -4.683 -3.769 5.972 1.00 30.32 H new ATOM 0 HB3 SER A 14 -5.048 -3.070 7.537 1.00 30.32 H new ATOM 0 HG SER A 14 -5.987 -5.594 6.533 1.00 70.02 H new ATOM 220 N LYS A 15 -6.343 -0.681 6.209 1.00 11.22 N ATOM 221 CA LYS A 15 -5.952 0.608 5.663 1.00 54.13 C ATOM 222 C LYS A 15 -4.596 1.023 6.197 1.00 50.11 C ATOM 223 O LYS A 15 -4.346 0.988 7.404 1.00 41.23 O ATOM 224 CB LYS A 15 -6.972 1.704 5.979 1.00 44.23 C ATOM 225 CG LYS A 15 -8.269 1.576 5.206 1.00 55.24 C ATOM 226 CD LYS A 15 -8.875 2.939 4.894 1.00 3.03 C ATOM 227 CE LYS A 15 -9.159 3.748 6.152 1.00 43.31 C ATOM 228 NZ LYS A 15 -9.789 5.060 5.836 1.00 62.01 N ATOM 0 H LYS A 15 -6.587 -0.664 7.199 1.00 11.22 H new ATOM 0 HA LYS A 15 -5.905 0.488 4.581 1.00 54.13 H new ATOM 0 HB2 LYS A 15 -7.193 1.685 7.046 1.00 44.23 H new ATOM 0 HB3 LYS A 15 -6.526 2.675 5.763 1.00 44.23 H new ATOM 0 HG2 LYS A 15 -8.087 1.037 4.276 1.00 55.24 H new ATOM 0 HG3 LYS A 15 -8.980 0.985 5.783 1.00 55.24 H new ATOM 0 HD2 LYS A 15 -8.195 3.498 4.251 1.00 3.03 H new ATOM 0 HD3 LYS A 15 -9.801 2.803 4.336 1.00 3.03 H new ATOM 0 HE2 LYS A 15 -9.816 3.179 6.810 1.00 43.31 H new ATOM 0 HE3 LYS A 15 -8.229 3.913 6.696 1.00 43.31 H new ATOM 0 HZ1 LYS A 15 -9.936 5.595 6.715 1.00 62.01 H new ATOM 0 HZ2 LYS A 15 -9.167 5.600 5.202 1.00 62.01 H new ATOM 0 HZ3 LYS A 15 -10.705 4.902 5.370 1.00 62.01 H new ATOM 242 N VAL A 16 -3.729 1.406 5.286 1.00 34.22 N ATOM 243 CA VAL A 16 -2.412 1.904 5.630 1.00 61.22 C ATOM 244 C VAL A 16 -2.165 3.219 4.922 1.00 23.25 C ATOM 245 O VAL A 16 -2.596 3.414 3.788 1.00 33.13 O ATOM 246 CB VAL A 16 -1.306 0.895 5.257 1.00 20.11 C ATOM 247 CG1 VAL A 16 -1.307 -0.282 6.220 1.00 20.12 C ATOM 248 CG2 VAL A 16 -1.483 0.409 3.825 1.00 15.22 C ATOM 0 H VAL A 16 -3.916 1.382 4.284 1.00 34.22 H new ATOM 0 HA VAL A 16 -2.379 2.051 6.710 1.00 61.22 H new ATOM 0 HB VAL A 16 -0.344 1.402 5.333 1.00 20.11 H new ATOM 0 HG11 VAL A 16 -0.520 -0.982 5.940 1.00 20.12 H new ATOM 0 HG12 VAL A 16 -1.129 0.077 7.234 1.00 20.12 H new ATOM 0 HG13 VAL A 16 -2.273 -0.786 6.178 1.00 20.12 H new ATOM 0 HG21 VAL A 16 -0.693 -0.302 3.582 1.00 15.22 H new ATOM 0 HG22 VAL A 16 -2.453 -0.078 3.723 1.00 15.22 H new ATOM 0 HG23 VAL A 16 -1.430 1.258 3.143 1.00 15.22 H new ATOM 258 N LYS A 17 -1.497 4.125 5.593 1.00 35.41 N ATOM 259 CA LYS A 17 -1.247 5.434 5.032 1.00 42.03 C ATOM 260 C LYS A 17 0.190 5.548 4.574 1.00 53.12 C ATOM 261 O LYS A 17 1.106 5.033 5.219 1.00 3.44 O ATOM 262 CB LYS A 17 -1.551 6.512 6.059 1.00 50.41 C ATOM 263 CG LYS A 17 -1.325 7.931 5.555 1.00 62.31 C ATOM 264 CD LYS A 17 -1.374 8.935 6.691 1.00 64.41 C ATOM 265 CE LYS A 17 -0.262 8.664 7.681 1.00 53.50 C ATOM 266 NZ LYS A 17 -0.435 9.411 8.950 1.00 11.52 N ATOM 0 H LYS A 17 -1.116 3.982 6.528 1.00 35.41 H new ATOM 0 HA LYS A 17 -1.900 5.570 4.170 1.00 42.03 H new ATOM 0 HB2 LYS A 17 -2.588 6.412 6.379 1.00 50.41 H new ATOM 0 HB3 LYS A 17 -0.929 6.347 6.939 1.00 50.41 H new ATOM 0 HG2 LYS A 17 -0.358 7.992 5.055 1.00 62.31 H new ATOM 0 HG3 LYS A 17 -2.084 8.181 4.813 1.00 62.31 H new ATOM 0 HD2 LYS A 17 -1.279 9.946 6.296 1.00 64.41 H new ATOM 0 HD3 LYS A 17 -2.339 8.878 7.194 1.00 64.41 H new ATOM 0 HE2 LYS A 17 -0.223 7.596 7.895 1.00 53.50 H new ATOM 0 HE3 LYS A 17 0.694 8.934 7.232 1.00 53.50 H new ATOM 0 HZ1 LYS A 17 -0.123 8.819 9.746 1.00 11.52 H new ATOM 0 HZ2 LYS A 17 0.134 10.281 8.921 1.00 11.52 H new ATOM 0 HZ3 LYS A 17 -1.438 9.657 9.074 1.00 11.52 H new ATOM 280 N VAL A 18 0.379 6.231 3.469 1.00 34.50 N ATOM 281 CA VAL A 18 1.695 6.382 2.885 1.00 53.24 C ATOM 282 C VAL A 18 2.529 7.374 3.683 1.00 74.24 C ATOM 283 O VAL A 18 2.387 8.588 3.524 1.00 25.21 O ATOM 284 CB VAL A 18 1.609 6.852 1.420 1.00 10.20 C ATOM 285 CG1 VAL A 18 2.988 6.874 0.778 1.00 52.13 C ATOM 286 CG2 VAL A 18 0.663 5.963 0.631 1.00 21.42 C ATOM 0 H VAL A 18 -0.368 6.695 2.952 1.00 34.50 H new ATOM 0 HA VAL A 18 2.174 5.403 2.911 1.00 53.24 H new ATOM 0 HB VAL A 18 1.215 7.868 1.409 1.00 10.20 H new ATOM 0 HG11 VAL A 18 2.903 7.209 -0.256 1.00 52.13 H new ATOM 0 HG12 VAL A 18 3.635 7.557 1.329 1.00 52.13 H new ATOM 0 HG13 VAL A 18 3.416 5.872 0.801 1.00 52.13 H new ATOM 0 HG21 VAL A 18 0.614 6.309 -0.401 1.00 21.42 H new ATOM 0 HG22 VAL A 18 1.026 4.936 0.652 1.00 21.42 H new ATOM 0 HG23 VAL A 18 -0.331 6.005 1.075 1.00 21.42 H new ATOM 296 N ILE A 19 3.355 6.851 4.580 1.00 64.23 N ATOM 297 CA ILE A 19 4.341 7.668 5.278 1.00 14.41 C ATOM 298 C ILE A 19 5.257 8.317 4.255 1.00 72.13 C ATOM 299 O ILE A 19 5.604 9.495 4.352 1.00 15.14 O ATOM 300 CB ILE A 19 5.215 6.834 6.234 1.00 45.42 C ATOM 301 CG1 ILE A 19 4.353 5.907 7.087 1.00 21.11 C ATOM 302 CG2 ILE A 19 6.056 7.746 7.118 1.00 53.34 C ATOM 303 CD1 ILE A 19 5.150 5.082 8.074 1.00 13.32 C ATOM 0 H ILE A 19 3.362 5.865 4.842 1.00 64.23 H new ATOM 0 HA ILE A 19 3.797 8.410 5.863 1.00 14.41 H new ATOM 0 HB ILE A 19 5.885 6.218 5.635 1.00 45.42 H new ATOM 0 HG12 ILE A 19 3.621 6.503 7.631 1.00 21.11 H new ATOM 0 HG13 ILE A 19 3.795 5.237 6.432 1.00 21.11 H new ATOM 0 HG21 ILE A 19 6.668 7.141 7.787 1.00 53.34 H new ATOM 0 HG22 ILE A 19 6.703 8.363 6.494 1.00 53.34 H new ATOM 0 HG23 ILE A 19 5.400 8.388 7.706 1.00 53.34 H new ATOM 0 HD11 ILE A 19 4.474 4.447 8.646 1.00 13.32 H new ATOM 0 HD12 ILE A 19 5.864 4.459 7.535 1.00 13.32 H new ATOM 0 HD13 ILE A 19 5.687 5.745 8.753 1.00 13.32 H new ATOM 315 N GLY A 20 5.645 7.515 3.278 1.00 12.25 N ATOM 316 CA GLY A 20 6.460 7.992 2.197 1.00 72.22 C ATOM 317 C GLY A 20 6.829 6.888 1.242 1.00 53.10 C ATOM 318 O GLY A 20 6.592 5.706 1.502 1.00 71.02 O ATOM 0 H GLY A 20 5.402 6.526 3.220 1.00 12.25 H new ATOM 0 HA2 GLY A 20 5.926 8.775 1.658 1.00 72.22 H new ATOM 0 HA3 GLY A 20 7.367 8.443 2.598 1.00 72.22 H new ATOM 322 N ILE A 21 7.405 7.294 0.143 1.00 60.21 N ATOM 323 CA ILE A 21 7.872 6.398 -0.888 1.00 1.45 C ATOM 324 C ILE A 21 9.390 6.514 -0.939 1.00 54.12 C ATOM 325 O ILE A 21 9.933 7.485 -0.411 1.00 70.10 O ATOM 326 CB ILE A 21 7.254 6.759 -2.253 1.00 11.31 C ATOM 327 CG1 ILE A 21 5.756 7.053 -2.100 1.00 35.23 C ATOM 328 CG2 ILE A 21 7.462 5.625 -3.246 1.00 51.04 C ATOM 329 CD1 ILE A 21 5.091 7.522 -3.378 1.00 65.01 C ATOM 0 H ILE A 21 7.568 8.279 -0.068 1.00 60.21 H new ATOM 0 HA ILE A 21 7.573 5.374 -0.663 1.00 1.45 H new ATOM 0 HB ILE A 21 7.751 7.652 -2.630 1.00 11.31 H new ATOM 0 HG12 ILE A 21 5.253 6.152 -1.749 1.00 35.23 H new ATOM 0 HG13 ILE A 21 5.621 7.814 -1.331 1.00 35.23 H new ATOM 0 HG21 ILE A 21 7.020 5.895 -4.205 1.00 51.04 H new ATOM 0 HG22 ILE A 21 8.529 5.446 -3.376 1.00 51.04 H new ATOM 0 HG23 ILE A 21 6.986 4.720 -2.869 1.00 51.04 H new ATOM 0 HD11 ILE A 21 4.034 7.709 -3.190 1.00 65.01 H new ATOM 0 HD12 ILE A 21 5.567 8.441 -3.720 1.00 65.01 H new ATOM 0 HD13 ILE A 21 5.193 6.754 -4.144 1.00 65.01 H new ATOM 341 N VAL A 22 10.075 5.549 -1.534 1.00 42.03 N ATOM 342 CA VAL A 22 11.536 5.525 -1.516 1.00 51.35 C ATOM 343 C VAL A 22 12.094 6.117 -2.810 1.00 74.41 C ATOM 344 O VAL A 22 12.242 5.425 -3.817 1.00 43.21 O ATOM 345 CB VAL A 22 12.088 4.097 -1.314 1.00 71.04 C ATOM 346 CG1 VAL A 22 13.610 4.107 -1.258 1.00 63.24 C ATOM 347 CG2 VAL A 22 11.512 3.472 -0.052 1.00 53.15 C ATOM 0 H VAL A 22 9.646 4.771 -2.036 1.00 42.03 H new ATOM 0 HA VAL A 22 11.858 6.131 -0.669 1.00 51.35 H new ATOM 0 HB VAL A 22 11.782 3.493 -2.168 1.00 71.04 H new ATOM 0 HG11 VAL A 22 13.976 3.090 -1.115 1.00 63.24 H new ATOM 0 HG12 VAL A 22 14.006 4.507 -2.191 1.00 63.24 H new ATOM 0 HG13 VAL A 22 13.939 4.731 -0.427 1.00 63.24 H new ATOM 0 HG21 VAL A 22 11.914 2.466 0.072 1.00 53.15 H new ATOM 0 HG22 VAL A 22 11.783 4.080 0.811 1.00 53.15 H new ATOM 0 HG23 VAL A 22 10.426 3.422 -0.134 1.00 53.15 H new ATOM 357 N PRO A 23 12.362 7.444 -2.799 1.00 53.54 N ATOM 358 CA PRO A 23 12.701 8.219 -3.999 1.00 63.24 C ATOM 359 C PRO A 23 13.918 7.682 -4.743 1.00 72.33 C ATOM 360 O PRO A 23 14.651 6.826 -4.235 1.00 54.42 O ATOM 361 CB PRO A 23 12.989 9.625 -3.459 1.00 64.10 C ATOM 362 CG PRO A 23 12.311 9.671 -2.138 1.00 73.42 C ATOM 363 CD PRO A 23 12.412 8.280 -1.589 1.00 42.44 C ATOM 0 HA PRO A 23 11.892 8.180 -4.729 1.00 63.24 H new ATOM 0 HB2 PRO A 23 14.060 9.799 -3.360 1.00 64.10 H new ATOM 0 HB3 PRO A 23 12.602 10.393 -4.129 1.00 64.10 H new ATOM 0 HG2 PRO A 23 12.791 10.391 -1.475 1.00 73.42 H new ATOM 0 HG3 PRO A 23 11.270 9.978 -2.241 1.00 73.42 H new ATOM 0 HD2 PRO A 23 13.338 8.131 -1.033 1.00 42.44 H new ATOM 0 HD3 PRO A 23 11.592 8.054 -0.908 1.00 42.44 H new ATOM 371 N GLU A 24 14.132 8.220 -5.941 1.00 2.04 N ATOM 372 CA GLU A 24 15.176 7.758 -6.848 1.00 23.10 C ATOM 373 C GLU A 24 14.873 6.330 -7.317 1.00 45.52 C ATOM 374 O GLU A 24 15.723 5.648 -7.895 1.00 4.43 O ATOM 375 CB GLU A 24 16.553 7.845 -6.177 1.00 3.20 C ATOM 376 CG GLU A 24 17.697 7.970 -7.165 1.00 24.55 C ATOM 377 CD GLU A 24 19.042 8.078 -6.487 1.00 54.53 C ATOM 378 OE1 GLU A 24 19.362 9.165 -5.968 1.00 50.53 O ATOM 379 OE2 GLU A 24 19.790 7.076 -6.488 1.00 45.04 O ATOM 0 H GLU A 24 13.581 8.994 -6.311 1.00 2.04 H new ATOM 0 HA GLU A 24 15.195 8.406 -7.724 1.00 23.10 H new ATOM 0 HB2 GLU A 24 16.568 8.703 -5.505 1.00 3.20 H new ATOM 0 HB3 GLU A 24 16.707 6.957 -5.564 1.00 3.20 H new ATOM 0 HG2 GLU A 24 17.697 7.104 -7.827 1.00 24.55 H new ATOM 0 HG3 GLU A 24 17.538 8.849 -7.790 1.00 24.55 H new ATOM 386 N SER A 25 13.641 5.894 -7.070 1.00 21.53 N ATOM 387 CA SER A 25 13.165 4.610 -7.549 1.00 52.42 C ATOM 388 C SER A 25 12.346 4.816 -8.814 1.00 41.35 C ATOM 389 O SER A 25 11.508 5.718 -8.882 1.00 12.21 O ATOM 390 CB SER A 25 12.298 3.915 -6.491 1.00 55.12 C ATOM 391 OG SER A 25 12.020 2.576 -6.848 1.00 24.10 O ATOM 0 H SER A 25 12.951 6.421 -6.535 1.00 21.53 H new ATOM 0 HA SER A 25 14.028 3.978 -7.758 1.00 52.42 H new ATOM 0 HB2 SER A 25 12.809 3.938 -5.528 1.00 55.12 H new ATOM 0 HB3 SER A 25 11.363 4.462 -6.369 1.00 55.12 H new ATOM 0 HG SER A 25 11.850 2.050 -6.039 1.00 24.10 H new ATOM 397 N LYS A 26 12.592 3.987 -9.813 1.00 71.24 N ATOM 398 CA LYS A 26 11.849 4.054 -11.062 1.00 75.14 C ATOM 399 C LYS A 26 10.392 3.638 -10.864 1.00 12.41 C ATOM 400 O LYS A 26 9.545 3.907 -11.715 1.00 73.13 O ATOM 401 CB LYS A 26 12.527 3.186 -12.123 1.00 52.12 C ATOM 402 CG LYS A 26 12.967 1.830 -11.603 1.00 71.52 C ATOM 403 CD LYS A 26 13.803 1.087 -12.628 1.00 74.33 C ATOM 404 CE LYS A 26 14.491 -0.118 -12.010 1.00 63.12 C ATOM 405 NZ LYS A 26 13.518 -1.083 -11.439 1.00 33.21 N ATOM 0 H LYS A 26 13.303 3.256 -9.785 1.00 71.24 H new ATOM 0 HA LYS A 26 11.848 5.088 -11.406 1.00 75.14 H new ATOM 0 HB2 LYS A 26 11.840 3.041 -12.957 1.00 52.12 H new ATOM 0 HB3 LYS A 26 13.396 3.716 -12.514 1.00 52.12 H new ATOM 0 HG2 LYS A 26 13.543 1.960 -10.687 1.00 71.52 H new ATOM 0 HG3 LYS A 26 12.090 1.235 -11.347 1.00 71.52 H new ATOM 0 HD2 LYS A 26 13.168 0.763 -13.452 1.00 74.33 H new ATOM 0 HD3 LYS A 26 14.551 1.760 -13.047 1.00 74.33 H new ATOM 0 HE2 LYS A 26 15.095 -0.618 -12.767 1.00 63.12 H new ATOM 0 HE3 LYS A 26 15.172 0.216 -11.227 1.00 63.12 H new ATOM 0 HZ1 LYS A 26 14.016 -1.949 -11.150 1.00 33.21 H new ATOM 0 HZ2 LYS A 26 13.053 -0.659 -10.611 1.00 33.21 H new ATOM 0 HZ3 LYS A 26 12.802 -1.318 -12.155 1.00 33.21 H new ATOM 419 N VAL A 27 10.095 2.993 -9.739 1.00 24.35 N ATOM 420 CA VAL A 27 8.714 2.670 -9.414 1.00 74.51 C ATOM 421 C VAL A 27 8.107 3.740 -8.510 1.00 11.00 C ATOM 422 O VAL A 27 6.904 3.970 -8.550 1.00 23.02 O ATOM 423 CB VAL A 27 8.550 1.275 -8.768 1.00 34.12 C ATOM 424 CG1 VAL A 27 8.947 0.184 -9.748 1.00 71.24 C ATOM 425 CG2 VAL A 27 9.355 1.161 -7.488 1.00 3.31 C ATOM 0 H VAL A 27 10.782 2.689 -9.049 1.00 24.35 H new ATOM 0 HA VAL A 27 8.177 2.645 -10.362 1.00 74.51 H new ATOM 0 HB VAL A 27 7.498 1.147 -8.512 1.00 34.12 H new ATOM 0 HG11 VAL A 27 8.825 -0.791 -9.276 1.00 71.24 H new ATOM 0 HG12 VAL A 27 8.312 0.241 -10.632 1.00 71.24 H new ATOM 0 HG13 VAL A 27 9.989 0.318 -10.040 1.00 71.24 H new ATOM 0 HG21 VAL A 27 9.218 0.168 -7.059 1.00 3.31 H new ATOM 0 HG22 VAL A 27 10.411 1.319 -7.707 1.00 3.31 H new ATOM 0 HG23 VAL A 27 9.016 1.914 -6.776 1.00 3.31 H new ATOM 435 N ARG A 28 8.949 4.408 -7.714 1.00 13.15 N ATOM 436 CA ARG A 28 8.508 5.538 -6.892 1.00 64.24 C ATOM 437 C ARG A 28 7.815 6.576 -7.768 1.00 12.13 C ATOM 438 O ARG A 28 6.735 7.070 -7.441 1.00 21.13 O ATOM 439 CB ARG A 28 9.714 6.154 -6.157 1.00 40.25 C ATOM 440 CG ARG A 28 9.411 7.419 -5.357 1.00 71.42 C ATOM 441 CD ARG A 28 9.553 8.678 -6.204 1.00 41.53 C ATOM 442 NE ARG A 28 9.245 9.893 -5.452 1.00 34.23 N ATOM 443 CZ ARG A 28 9.367 11.122 -5.949 1.00 75.21 C ATOM 444 NH1 ARG A 28 9.799 11.304 -7.191 1.00 62.53 N ATOM 445 NH2 ARG A 28 9.061 12.173 -5.204 1.00 63.14 N ATOM 0 H ARG A 28 9.940 4.185 -7.622 1.00 13.15 H new ATOM 0 HA ARG A 28 7.795 5.187 -6.146 1.00 64.24 H new ATOM 0 HB2 ARG A 28 10.128 5.406 -5.481 1.00 40.25 H new ATOM 0 HB3 ARG A 28 10.487 6.383 -6.890 1.00 40.25 H new ATOM 0 HG2 ARG A 28 8.398 7.362 -4.959 1.00 71.42 H new ATOM 0 HG3 ARG A 28 10.086 7.478 -4.503 1.00 71.42 H new ATOM 0 HD2 ARG A 28 10.571 8.741 -6.589 1.00 41.53 H new ATOM 0 HD3 ARG A 28 8.889 8.609 -7.066 1.00 41.53 H new ATOM 0 HE ARG A 28 8.918 9.793 -4.491 1.00 34.23 H new ATOM 0 HH11 ARG A 28 10.040 10.500 -7.770 1.00 62.53 H new ATOM 0 HH12 ARG A 28 9.890 12.248 -7.566 1.00 62.53 H new ATOM 0 HH21 ARG A 28 8.731 12.042 -4.248 1.00 63.14 H new ATOM 0 HH22 ARG A 28 9.155 13.114 -5.586 1.00 63.14 H new ATOM 459 N ARG A 29 8.457 6.890 -8.888 1.00 64.11 N ATOM 460 CA ARG A 29 7.894 7.792 -9.888 1.00 0.32 C ATOM 461 C ARG A 29 6.528 7.293 -10.346 1.00 62.25 C ATOM 462 O ARG A 29 5.560 8.046 -10.389 1.00 31.10 O ATOM 463 CB ARG A 29 8.845 7.881 -11.082 1.00 53.43 C ATOM 464 CG ARG A 29 8.271 8.611 -12.283 1.00 65.24 C ATOM 465 CD ARG A 29 9.147 8.417 -13.508 1.00 0.51 C ATOM 466 NE ARG A 29 8.518 8.941 -14.715 1.00 3.12 N ATOM 467 CZ ARG A 29 8.155 8.186 -15.754 1.00 32.32 C ATOM 468 NH1 ARG A 29 8.351 6.872 -15.726 1.00 44.15 N ATOM 469 NH2 ARG A 29 7.574 8.734 -16.813 1.00 33.14 N ATOM 0 H ARG A 29 9.380 6.528 -9.128 1.00 64.11 H new ATOM 0 HA ARG A 29 7.769 8.781 -9.446 1.00 0.32 H new ATOM 0 HB2 ARG A 29 9.759 8.385 -10.767 1.00 53.43 H new ATOM 0 HB3 ARG A 29 9.126 6.872 -11.384 1.00 53.43 H new ATOM 0 HG2 ARG A 29 7.265 8.245 -12.489 1.00 65.24 H new ATOM 0 HG3 ARG A 29 8.183 9.674 -12.059 1.00 65.24 H new ATOM 0 HD2 ARG A 29 10.104 8.915 -13.352 1.00 0.51 H new ATOM 0 HD3 ARG A 29 9.357 7.356 -13.640 1.00 0.51 H new ATOM 0 HE ARG A 29 8.345 9.945 -14.768 1.00 3.12 H new ATOM 0 HH11 ARG A 29 8.780 6.438 -14.909 1.00 44.15 H new ATOM 0 HH12 ARG A 29 8.072 6.298 -16.522 1.00 44.15 H new ATOM 0 HH21 ARG A 29 7.402 9.739 -16.837 1.00 33.14 H new ATOM 0 HH22 ARG A 29 7.299 8.150 -17.603 1.00 33.14 H new ATOM 483 N LYS A 30 6.469 6.007 -10.652 1.00 3.14 N ATOM 484 CA LYS A 30 5.262 5.361 -11.158 1.00 11.32 C ATOM 485 C LYS A 30 4.114 5.463 -10.157 1.00 51.34 C ATOM 486 O LYS A 30 2.976 5.766 -10.521 1.00 14.31 O ATOM 487 CB LYS A 30 5.588 3.898 -11.428 1.00 44.23 C ATOM 488 CG LYS A 30 4.475 3.100 -12.076 1.00 72.22 C ATOM 489 CD LYS A 30 4.927 1.672 -12.292 1.00 54.13 C ATOM 490 CE LYS A 30 3.898 0.850 -13.042 1.00 55.22 C ATOM 491 NZ LYS A 30 4.420 -0.504 -13.354 1.00 11.44 N ATOM 0 H LYS A 30 7.263 5.374 -10.556 1.00 3.14 H new ATOM 0 HA LYS A 30 4.942 5.861 -12.072 1.00 11.32 H new ATOM 0 HB2 LYS A 30 6.469 3.850 -12.069 1.00 44.23 H new ATOM 0 HB3 LYS A 30 5.854 3.421 -10.485 1.00 44.23 H new ATOM 0 HG2 LYS A 30 3.587 3.118 -11.445 1.00 72.22 H new ATOM 0 HG3 LYS A 30 4.198 3.552 -13.029 1.00 72.22 H new ATOM 0 HD2 LYS A 30 5.865 1.670 -12.847 1.00 54.13 H new ATOM 0 HD3 LYS A 30 5.127 1.207 -11.327 1.00 54.13 H new ATOM 0 HE2 LYS A 30 2.991 0.764 -12.444 1.00 55.22 H new ATOM 0 HE3 LYS A 30 3.624 1.359 -13.966 1.00 55.22 H new ATOM 0 HZ1 LYS A 30 3.655 -1.090 -13.745 1.00 11.44 H new ATOM 0 HZ2 LYS A 30 5.188 -0.428 -14.051 1.00 11.44 H new ATOM 0 HZ3 LYS A 30 4.784 -0.945 -12.485 1.00 11.44 H new ATOM 505 N ILE A 31 4.430 5.201 -8.898 1.00 40.14 N ATOM 506 CA ILE A 31 3.448 5.224 -7.820 1.00 44.44 C ATOM 507 C ILE A 31 2.885 6.629 -7.608 1.00 23.22 C ATOM 508 O ILE A 31 1.669 6.816 -7.527 1.00 33.13 O ATOM 509 CB ILE A 31 4.078 4.715 -6.506 1.00 2.43 C ATOM 510 CG1 ILE A 31 4.603 3.291 -6.700 1.00 32.33 C ATOM 511 CG2 ILE A 31 3.065 4.762 -5.370 1.00 61.31 C ATOM 512 CD1 ILE A 31 5.587 2.851 -5.638 1.00 35.32 C ATOM 0 H ILE A 31 5.374 4.966 -8.593 1.00 40.14 H new ATOM 0 HA ILE A 31 2.629 4.565 -8.108 1.00 44.44 H new ATOM 0 HB ILE A 31 4.911 5.366 -6.241 1.00 2.43 H new ATOM 0 HG12 ILE A 31 3.759 2.601 -6.708 1.00 32.33 H new ATOM 0 HG13 ILE A 31 5.082 3.221 -7.677 1.00 32.33 H new ATOM 0 HG21 ILE A 31 3.529 4.399 -4.453 1.00 61.31 H new ATOM 0 HG22 ILE A 31 2.729 5.789 -5.225 1.00 61.31 H new ATOM 0 HG23 ILE A 31 2.211 4.132 -5.618 1.00 61.31 H new ATOM 0 HD11 ILE A 31 5.913 1.832 -5.844 1.00 35.32 H new ATOM 0 HD12 ILE A 31 6.450 3.517 -5.644 1.00 35.32 H new ATOM 0 HD13 ILE A 31 5.107 2.887 -4.660 1.00 35.32 H new ATOM 524 N MET A 32 3.768 7.617 -7.540 1.00 30.14 N ATOM 525 CA MET A 32 3.341 8.999 -7.342 1.00 11.44 C ATOM 526 C MET A 32 2.603 9.513 -8.574 1.00 64.31 C ATOM 527 O MET A 32 1.671 10.313 -8.470 1.00 61.40 O ATOM 528 CB MET A 32 4.540 9.894 -7.026 1.00 50.00 C ATOM 529 CG MET A 32 4.266 10.888 -5.908 1.00 31.11 C ATOM 530 SD MET A 32 5.706 11.888 -5.486 1.00 40.41 S ATOM 531 CE MET A 32 5.023 12.917 -4.188 1.00 64.21 C ATOM 0 H MET A 32 4.777 7.491 -7.618 1.00 30.14 H new ATOM 0 HA MET A 32 2.658 9.027 -6.493 1.00 11.44 H new ATOM 0 HB2 MET A 32 5.389 9.269 -6.748 1.00 50.00 H new ATOM 0 HB3 MET A 32 4.826 10.439 -7.926 1.00 50.00 H new ATOM 0 HG2 MET A 32 3.449 11.545 -6.206 1.00 31.11 H new ATOM 0 HG3 MET A 32 3.934 10.347 -5.022 1.00 31.11 H new ATOM 0 HE1 MET A 32 5.792 13.595 -3.819 1.00 64.21 H new ATOM 0 HE2 MET A 32 4.188 13.496 -4.584 1.00 64.21 H new ATOM 0 HE3 MET A 32 4.672 12.287 -3.371 1.00 64.21 H new ATOM 541 N ASP A 33 3.016 9.029 -9.739 1.00 20.04 N ATOM 542 CA ASP A 33 2.371 9.376 -11.001 1.00 3.14 C ATOM 543 C ASP A 33 0.964 8.783 -11.067 1.00 43.21 C ATOM 544 O ASP A 33 0.097 9.284 -11.784 1.00 4.42 O ATOM 545 CB ASP A 33 3.215 8.869 -12.172 1.00 32.52 C ATOM 546 CG ASP A 33 2.607 9.176 -13.522 1.00 43.10 C ATOM 547 OD1 ASP A 33 2.643 10.350 -13.944 1.00 54.24 O ATOM 548 OD2 ASP A 33 2.111 8.240 -14.177 1.00 25.41 O ATOM 0 H ASP A 33 3.803 8.388 -9.837 1.00 20.04 H new ATOM 0 HA ASP A 33 2.288 10.461 -11.065 1.00 3.14 H new ATOM 0 HB2 ASP A 33 4.207 9.317 -12.117 1.00 32.52 H new ATOM 0 HB3 ASP A 33 3.347 7.791 -12.077 1.00 32.52 H new ATOM 553 N MET A 34 0.746 7.722 -10.297 1.00 3.13 N ATOM 554 CA MET A 34 -0.557 7.069 -10.229 1.00 23.12 C ATOM 555 C MET A 34 -1.530 7.895 -9.392 1.00 52.42 C ATOM 556 O MET A 34 -2.744 7.735 -9.491 1.00 52.30 O ATOM 557 CB MET A 34 -0.413 5.669 -9.629 1.00 40.24 C ATOM 558 CG MET A 34 -1.407 4.659 -10.178 1.00 21.40 C ATOM 559 SD MET A 34 -1.197 3.015 -9.464 1.00 52.11 S ATOM 560 CE MET A 34 0.477 2.628 -9.973 1.00 75.42 C ATOM 0 H MET A 34 1.460 7.294 -9.708 1.00 3.13 H new ATOM 0 HA MET A 34 -0.953 6.986 -11.241 1.00 23.12 H new ATOM 0 HB2 MET A 34 0.598 5.307 -9.815 1.00 40.24 H new ATOM 0 HB3 MET A 34 -0.535 5.733 -8.548 1.00 40.24 H new ATOM 0 HG2 MET A 34 -2.420 5.009 -9.981 1.00 21.40 H new ATOM 0 HG3 MET A 34 -1.295 4.597 -11.261 1.00 21.40 H new ATOM 0 HE1 MET A 34 0.538 1.577 -10.254 1.00 75.42 H new ATOM 0 HE2 MET A 34 0.750 3.248 -10.827 1.00 75.42 H new ATOM 0 HE3 MET A 34 1.162 2.823 -9.148 1.00 75.42 H new ATOM 570 N GLY A 35 -0.984 8.779 -8.568 1.00 55.02 N ATOM 571 CA GLY A 35 -1.821 9.641 -7.757 1.00 72.50 C ATOM 572 C GLY A 35 -1.596 9.450 -6.272 1.00 51.44 C ATOM 573 O GLY A 35 -2.166 10.172 -5.456 1.00 5.41 O ATOM 0 H GLY A 35 0.020 8.915 -8.447 1.00 55.02 H new ATOM 0 HA2 GLY A 35 -1.625 10.681 -8.019 1.00 72.50 H new ATOM 0 HA3 GLY A 35 -2.868 9.446 -7.989 1.00 72.50 H new ATOM 577 N ILE A 36 -0.771 8.480 -5.919 1.00 71.42 N ATOM 578 CA ILE A 36 -0.484 8.205 -4.520 1.00 12.25 C ATOM 579 C ILE A 36 0.628 9.110 -4.023 1.00 32.00 C ATOM 580 O ILE A 36 1.716 9.154 -4.597 1.00 43.31 O ATOM 581 CB ILE A 36 -0.068 6.741 -4.302 1.00 73.12 C ATOM 582 CG1 ILE A 36 -1.085 5.801 -4.949 1.00 65.43 C ATOM 583 CG2 ILE A 36 0.062 6.441 -2.816 1.00 63.45 C ATOM 584 CD1 ILE A 36 -0.670 4.343 -4.943 1.00 21.32 C ATOM 0 H ILE A 36 -0.288 7.870 -6.579 1.00 71.42 H new ATOM 0 HA ILE A 36 -1.400 8.394 -3.960 1.00 12.25 H new ATOM 0 HB ILE A 36 0.903 6.581 -4.772 1.00 73.12 H new ATOM 0 HG12 ILE A 36 -2.037 5.899 -4.428 1.00 65.43 H new ATOM 0 HG13 ILE A 36 -1.251 6.116 -5.979 1.00 65.43 H new ATOM 0 HG21 ILE A 36 0.357 5.401 -2.679 1.00 63.45 H new ATOM 0 HG22 ILE A 36 0.818 7.093 -2.378 1.00 63.45 H new ATOM 0 HG23 ILE A 36 -0.895 6.614 -2.325 1.00 63.45 H new ATOM 0 HD11 ILE A 36 -1.445 3.742 -5.420 1.00 21.32 H new ATOM 0 HD12 ILE A 36 0.266 4.229 -5.490 1.00 21.32 H new ATOM 0 HD13 ILE A 36 -0.532 4.008 -3.915 1.00 21.32 H new ATOM 596 N VAL A 37 0.347 9.825 -2.953 1.00 53.42 N ATOM 597 CA VAL A 37 1.300 10.764 -2.385 1.00 14.52 C ATOM 598 C VAL A 37 1.436 10.558 -0.878 1.00 20.31 C ATOM 599 O VAL A 37 0.815 9.661 -0.303 1.00 31.13 O ATOM 600 CB VAL A 37 0.912 12.237 -2.673 1.00 0.12 C ATOM 601 CG1 VAL A 37 0.970 12.526 -4.167 1.00 62.34 C ATOM 602 CG2 VAL A 37 -0.469 12.557 -2.118 1.00 24.03 C ATOM 0 H VAL A 37 -0.541 9.775 -2.454 1.00 53.42 H new ATOM 0 HA VAL A 37 2.258 10.566 -2.866 1.00 14.52 H new ATOM 0 HB VAL A 37 1.635 12.880 -2.170 1.00 0.12 H new ATOM 0 HG11 VAL A 37 0.694 13.565 -4.348 1.00 62.34 H new ATOM 0 HG12 VAL A 37 1.982 12.350 -4.533 1.00 62.34 H new ATOM 0 HG13 VAL A 37 0.276 11.870 -4.692 1.00 62.34 H new ATOM 0 HG21 VAL A 37 -0.716 13.596 -2.334 1.00 24.03 H new ATOM 0 HG22 VAL A 37 -1.208 11.904 -2.583 1.00 24.03 H new ATOM 0 HG23 VAL A 37 -0.473 12.400 -1.039 1.00 24.03 H new ATOM 612 N ARG A 38 2.251 11.390 -0.248 1.00 45.13 N ATOM 613 CA ARG A 38 2.501 11.292 1.182 1.00 13.33 C ATOM 614 C ARG A 38 1.255 11.665 1.979 1.00 54.53 C ATOM 615 O ARG A 38 0.782 12.802 1.918 1.00 70.43 O ATOM 616 CB ARG A 38 3.667 12.203 1.569 1.00 43.43 C ATOM 617 CG ARG A 38 3.964 12.221 3.058 1.00 15.31 C ATOM 618 CD ARG A 38 5.113 13.162 3.378 1.00 43.40 C ATOM 619 NE ARG A 38 5.372 13.249 4.814 1.00 1.21 N ATOM 620 CZ ARG A 38 6.074 14.227 5.387 1.00 74.45 C ATOM 621 NH1 ARG A 38 6.591 15.204 4.646 1.00 40.23 N ATOM 622 NH2 ARG A 38 6.263 14.225 6.699 1.00 54.02 N ATOM 0 H ARG A 38 2.755 12.147 -0.710 1.00 45.13 H new ATOM 0 HA ARG A 38 2.758 10.259 1.418 1.00 13.33 H new ATOM 0 HB2 ARG A 38 4.560 11.881 1.034 1.00 43.43 H new ATOM 0 HB3 ARG A 38 3.447 13.219 1.240 1.00 43.43 H new ATOM 0 HG2 ARG A 38 3.074 12.531 3.605 1.00 15.31 H new ATOM 0 HG3 ARG A 38 4.211 11.214 3.394 1.00 15.31 H new ATOM 0 HD2 ARG A 38 6.014 12.820 2.868 1.00 43.40 H new ATOM 0 HD3 ARG A 38 4.886 14.155 2.991 1.00 43.40 H new ATOM 0 HE ARG A 38 4.993 12.517 5.414 1.00 1.21 H new ATOM 0 HH11 ARG A 38 6.451 15.207 3.636 1.00 40.23 H new ATOM 0 HH12 ARG A 38 7.127 15.950 5.088 1.00 40.23 H new ATOM 0 HH21 ARG A 38 5.872 13.476 7.270 1.00 54.02 H new ATOM 0 HH22 ARG A 38 6.800 14.973 7.138 1.00 54.02 H new ATOM 636 N GLY A 39 0.731 10.699 2.719 1.00 45.23 N ATOM 637 CA GLY A 39 -0.425 10.942 3.557 1.00 61.02 C ATOM 638 C GLY A 39 -1.706 10.374 2.979 1.00 33.51 C ATOM 639 O GLY A 39 -2.765 10.471 3.602 1.00 22.54 O ATOM 0 H GLY A 39 1.089 9.745 2.754 1.00 45.23 H new ATOM 0 HA2 GLY A 39 -0.252 10.505 4.541 1.00 61.02 H new ATOM 0 HA3 GLY A 39 -0.543 12.016 3.701 1.00 61.02 H new ATOM 643 N THR A 40 -1.620 9.789 1.790 1.00 11.54 N ATOM 644 CA THR A 40 -2.768 9.131 1.186 1.00 15.33 C ATOM 645 C THR A 40 -3.018 7.786 1.862 1.00 4.40 C ATOM 646 O THR A 40 -2.079 7.130 2.323 1.00 24.11 O ATOM 647 CB THR A 40 -2.560 8.902 -0.324 1.00 3.11 C ATOM 648 OG1 THR A 40 -2.105 10.108 -0.947 1.00 54.03 O ATOM 649 CG2 THR A 40 -3.844 8.444 -1.000 1.00 1.54 C ATOM 0 H THR A 40 -0.769 9.758 1.228 1.00 11.54 H new ATOM 0 HA THR A 40 -3.629 9.785 1.323 1.00 15.33 H new ATOM 0 HB THR A 40 -1.810 8.119 -0.438 1.00 3.11 H new ATOM 0 HG1 THR A 40 -2.416 10.133 -1.876 1.00 54.03 H new ATOM 0 HG21 THR A 40 -3.661 8.292 -2.064 1.00 1.54 H new ATOM 0 HG22 THR A 40 -4.177 7.508 -0.552 1.00 1.54 H new ATOM 0 HG23 THR A 40 -4.615 9.203 -0.869 1.00 1.54 H new ATOM 657 N GLU A 41 -4.276 7.391 1.921 1.00 2.13 N ATOM 658 CA GLU A 41 -4.656 6.131 2.516 1.00 4.11 C ATOM 659 C GLU A 41 -4.791 5.067 1.446 1.00 72.34 C ATOM 660 O GLU A 41 -5.519 5.238 0.467 1.00 73.20 O ATOM 661 CB GLU A 41 -5.979 6.273 3.258 1.00 35.55 C ATOM 662 CG GLU A 41 -5.956 7.289 4.384 1.00 30.14 C ATOM 663 CD GLU A 41 -7.251 7.306 5.169 1.00 2.42 C ATOM 664 OE1 GLU A 41 -8.294 6.893 4.614 1.00 10.10 O ATOM 665 OE2 GLU A 41 -7.232 7.720 6.346 1.00 43.21 O ATOM 0 H GLU A 41 -5.058 7.935 1.558 1.00 2.13 H new ATOM 0 HA GLU A 41 -3.879 5.837 3.222 1.00 4.11 H new ATOM 0 HB2 GLU A 41 -6.754 6.555 2.545 1.00 35.55 H new ATOM 0 HB3 GLU A 41 -6.260 5.302 3.666 1.00 35.55 H new ATOM 0 HG2 GLU A 41 -5.129 7.064 5.057 1.00 30.14 H new ATOM 0 HG3 GLU A 41 -5.770 8.281 3.972 1.00 30.14 H new ATOM 672 N ILE A 42 -4.077 3.983 1.635 1.00 71.43 N ATOM 673 CA ILE A 42 -4.149 2.854 0.741 1.00 72.24 C ATOM 674 C ILE A 42 -5.034 1.775 1.346 1.00 23.33 C ATOM 675 O ILE A 42 -4.722 1.218 2.403 1.00 11.10 O ATOM 676 CB ILE A 42 -2.743 2.287 0.454 1.00 52.01 C ATOM 677 CG1 ILE A 42 -1.924 3.288 -0.370 1.00 70.32 C ATOM 678 CG2 ILE A 42 -2.840 0.945 -0.261 1.00 72.41 C ATOM 679 CD1 ILE A 42 -0.528 2.806 -0.704 1.00 12.44 C ATOM 0 H ILE A 42 -3.430 3.860 2.414 1.00 71.43 H new ATOM 0 HA ILE A 42 -4.580 3.188 -0.203 1.00 72.24 H new ATOM 0 HB ILE A 42 -2.233 2.126 1.404 1.00 52.01 H new ATOM 0 HG12 ILE A 42 -2.456 3.503 -1.297 1.00 70.32 H new ATOM 0 HG13 ILE A 42 -1.853 4.226 0.181 1.00 70.32 H new ATOM 0 HG21 ILE A 42 -1.838 0.562 -0.454 1.00 72.41 H new ATOM 0 HG22 ILE A 42 -3.384 0.238 0.365 1.00 72.41 H new ATOM 0 HG23 ILE A 42 -3.368 1.074 -1.206 1.00 72.41 H new ATOM 0 HD11 ILE A 42 -0.010 3.567 -1.288 1.00 12.44 H new ATOM 0 HD12 ILE A 42 0.023 2.619 0.218 1.00 12.44 H new ATOM 0 HD13 ILE A 42 -0.590 1.885 -1.283 1.00 12.44 H new ATOM 691 N TYR A 43 -6.155 1.510 0.697 1.00 74.32 N ATOM 692 CA TYR A 43 -7.070 0.489 1.165 1.00 1.53 C ATOM 693 C TYR A 43 -6.734 -0.847 0.524 1.00 50.10 C ATOM 694 O TYR A 43 -6.992 -1.059 -0.661 1.00 65.24 O ATOM 695 CB TYR A 43 -8.517 0.873 0.848 1.00 60.51 C ATOM 696 CG TYR A 43 -9.538 -0.055 1.467 1.00 34.31 C ATOM 697 CD1 TYR A 43 -9.589 -0.233 2.839 1.00 32.33 C ATOM 698 CD2 TYR A 43 -10.455 -0.741 0.682 1.00 44.41 C ATOM 699 CE1 TYR A 43 -10.523 -1.066 3.418 1.00 72.24 C ATOM 700 CE2 TYR A 43 -11.393 -1.580 1.254 1.00 74.23 C ATOM 701 CZ TYR A 43 -11.421 -1.738 2.623 1.00 21.54 C ATOM 702 OH TYR A 43 -12.355 -2.560 3.202 1.00 64.23 O ATOM 0 H TYR A 43 -6.451 1.988 -0.154 1.00 74.32 H new ATOM 0 HA TYR A 43 -6.965 0.402 2.246 1.00 1.53 H new ATOM 0 HB2 TYR A 43 -8.700 1.888 1.200 1.00 60.51 H new ATOM 0 HB3 TYR A 43 -8.654 0.881 -0.233 1.00 60.51 H new ATOM 0 HD1 TYR A 43 -8.884 0.290 3.468 1.00 32.33 H new ATOM 0 HD2 TYR A 43 -10.435 -0.617 -0.391 1.00 44.41 H new ATOM 0 HE1 TYR A 43 -10.549 -1.190 4.491 1.00 72.24 H new ATOM 0 HE2 TYR A 43 -12.100 -2.109 0.632 1.00 74.23 H new ATOM 0 HH TYR A 43 -12.916 -2.960 2.505 1.00 64.23 H new ATOM 712 N ILE A 44 -6.130 -1.732 1.293 1.00 64.35 N ATOM 713 CA ILE A 44 -5.857 -3.073 0.817 1.00 75.11 C ATOM 714 C ILE A 44 -7.119 -3.909 0.938 1.00 12.24 C ATOM 715 O ILE A 44 -7.435 -4.420 2.011 1.00 43.33 O ATOM 716 CB ILE A 44 -4.713 -3.747 1.608 1.00 2.40 C ATOM 717 CG1 ILE A 44 -3.438 -2.899 1.543 1.00 50.14 C ATOM 718 CG2 ILE A 44 -4.447 -5.152 1.075 1.00 40.04 C ATOM 719 CD1 ILE A 44 -2.884 -2.737 0.144 1.00 25.24 C ATOM 0 H ILE A 44 -5.820 -1.547 2.247 1.00 64.35 H new ATOM 0 HA ILE A 44 -5.541 -3.004 -0.224 1.00 75.11 H new ATOM 0 HB ILE A 44 -5.020 -3.826 2.651 1.00 2.40 H new ATOM 0 HG12 ILE A 44 -3.647 -1.913 1.958 1.00 50.14 H new ATOM 0 HG13 ILE A 44 -2.676 -3.356 2.175 1.00 50.14 H new ATOM 0 HG21 ILE A 44 -3.638 -5.610 1.645 1.00 40.04 H new ATOM 0 HG22 ILE A 44 -5.349 -5.756 1.175 1.00 40.04 H new ATOM 0 HG23 ILE A 44 -4.163 -5.095 0.024 1.00 40.04 H new ATOM 0 HD11 ILE A 44 -1.982 -2.125 0.178 1.00 25.24 H new ATOM 0 HD12 ILE A 44 -2.642 -3.717 -0.267 1.00 25.24 H new ATOM 0 HD13 ILE A 44 -3.628 -2.252 -0.488 1.00 25.24 H new ATOM 731 N GLU A 45 -7.860 -4.015 -0.150 1.00 70.34 N ATOM 732 CA GLU A 45 -9.111 -4.745 -0.131 1.00 13.44 C ATOM 733 C GLU A 45 -8.865 -6.237 -0.284 1.00 60.45 C ATOM 734 O GLU A 45 -9.647 -7.060 0.191 1.00 61.12 O ATOM 735 CB GLU A 45 -10.058 -4.225 -1.214 1.00 12.44 C ATOM 736 CG GLU A 45 -9.460 -4.171 -2.612 1.00 13.33 C ATOM 737 CD GLU A 45 -10.461 -3.685 -3.643 1.00 72.42 C ATOM 738 OE1 GLU A 45 -10.612 -2.457 -3.806 1.00 34.42 O ATOM 739 OE2 GLU A 45 -11.119 -4.528 -4.281 1.00 33.25 O ATOM 0 H GLU A 45 -7.618 -3.607 -1.053 1.00 70.34 H new ATOM 0 HA GLU A 45 -9.589 -4.583 0.835 1.00 13.44 H new ATOM 0 HB2 GLU A 45 -10.944 -4.859 -1.237 1.00 12.44 H new ATOM 0 HB3 GLU A 45 -10.390 -3.224 -0.937 1.00 12.44 H new ATOM 0 HG2 GLU A 45 -8.593 -3.510 -2.610 1.00 13.33 H new ATOM 0 HG3 GLU A 45 -9.104 -5.163 -2.892 1.00 13.33 H new ATOM 746 N GLY A 46 -7.767 -6.583 -0.930 1.00 32.22 N ATOM 747 CA GLY A 46 -7.416 -7.976 -1.077 1.00 61.00 C ATOM 748 C GLY A 46 -6.082 -8.169 -1.760 1.00 44.45 C ATOM 749 O GLY A 46 -5.435 -7.204 -2.159 1.00 2.22 O ATOM 0 H GLY A 46 -7.113 -5.926 -1.355 1.00 32.22 H new ATOM 0 HA2 GLY A 46 -7.388 -8.446 -0.094 1.00 61.00 H new ATOM 0 HA3 GLY A 46 -8.191 -8.484 -1.651 1.00 61.00 H new ATOM 753 N LYS A 47 -5.665 -9.417 -1.871 1.00 23.03 N ATOM 754 CA LYS A 47 -4.443 -9.771 -2.572 1.00 72.10 C ATOM 755 C LYS A 47 -4.729 -10.948 -3.488 1.00 64.34 C ATOM 756 O LYS A 47 -5.696 -11.680 -3.271 1.00 71.13 O ATOM 757 CB LYS A 47 -3.336 -10.139 -1.577 1.00 4.44 C ATOM 758 CG LYS A 47 -3.008 -9.029 -0.586 1.00 72.54 C ATOM 759 CD LYS A 47 -1.989 -9.477 0.449 1.00 73.02 C ATOM 760 CE LYS A 47 -0.673 -9.881 -0.194 1.00 42.13 C ATOM 761 NZ LYS A 47 0.338 -10.276 0.821 1.00 53.12 N ATOM 0 H LYS A 47 -6.164 -10.215 -1.478 1.00 23.03 H new ATOM 0 HA LYS A 47 -4.102 -8.917 -3.157 1.00 72.10 H new ATOM 0 HB2 LYS A 47 -3.637 -11.029 -1.025 1.00 4.44 H new ATOM 0 HB3 LYS A 47 -2.433 -10.398 -2.131 1.00 4.44 H new ATOM 0 HG2 LYS A 47 -2.622 -8.164 -1.125 1.00 72.54 H new ATOM 0 HG3 LYS A 47 -3.921 -8.710 -0.083 1.00 72.54 H new ATOM 0 HD2 LYS A 47 -1.814 -8.669 1.160 1.00 73.02 H new ATOM 0 HD3 LYS A 47 -2.391 -10.318 1.015 1.00 73.02 H new ATOM 0 HE2 LYS A 47 -0.843 -10.711 -0.880 1.00 42.13 H new ATOM 0 HE3 LYS A 47 -0.288 -9.051 -0.787 1.00 42.13 H new ATOM 0 HZ1 LYS A 47 1.222 -10.545 0.344 1.00 53.12 H new ATOM 0 HZ2 LYS A 47 0.519 -9.476 1.460 1.00 53.12 H new ATOM 0 HZ3 LYS A 47 -0.019 -11.084 1.370 1.00 53.12 H new ATOM 775 N ALA A 48 -3.903 -11.130 -4.507 1.00 30.34 N ATOM 776 CA ALA A 48 -4.071 -12.241 -5.429 1.00 4.33 C ATOM 777 C ALA A 48 -3.909 -13.570 -4.699 1.00 20.24 C ATOM 778 O ALA A 48 -3.283 -13.625 -3.638 1.00 52.31 O ATOM 779 CB ALA A 48 -3.069 -12.131 -6.565 1.00 3.10 C ATOM 0 H ALA A 48 -3.110 -10.523 -4.716 1.00 30.34 H new ATOM 0 HA ALA A 48 -5.077 -12.201 -5.846 1.00 4.33 H new ATOM 0 HB1 ALA A 48 -3.203 -12.968 -7.250 1.00 3.10 H new ATOM 0 HB2 ALA A 48 -3.227 -11.195 -7.100 1.00 3.10 H new ATOM 0 HB3 ALA A 48 -2.057 -12.151 -6.161 1.00 3.10 H new ATOM 785 N PRO A 49 -4.479 -14.656 -5.244 1.00 72.40 N ATOM 786 CA PRO A 49 -4.378 -15.991 -4.646 1.00 21.45 C ATOM 787 C PRO A 49 -2.933 -16.414 -4.387 1.00 33.31 C ATOM 788 O PRO A 49 -2.646 -17.109 -3.412 1.00 71.25 O ATOM 789 CB PRO A 49 -5.029 -16.914 -5.684 1.00 25.00 C ATOM 790 CG PRO A 49 -5.171 -16.095 -6.925 1.00 41.23 C ATOM 791 CD PRO A 49 -5.285 -14.671 -6.471 1.00 71.31 C ATOM 0 HA PRO A 49 -4.861 -16.025 -3.669 1.00 21.45 H new ATOM 0 HB2 PRO A 49 -4.413 -17.795 -5.865 1.00 25.00 H new ATOM 0 HB3 PRO A 49 -5.999 -17.270 -5.337 1.00 25.00 H new ATOM 0 HG2 PRO A 49 -4.310 -16.228 -7.580 1.00 41.23 H new ATOM 0 HG3 PRO A 49 -6.052 -16.395 -7.492 1.00 41.23 H new ATOM 0 HD2 PRO A 49 -4.899 -13.976 -7.217 1.00 71.31 H new ATOM 0 HD3 PRO A 49 -6.320 -14.389 -6.279 1.00 71.31 H new ATOM 799 N MET A 50 -2.024 -15.987 -5.253 1.00 54.25 N ATOM 800 CA MET A 50 -0.613 -16.323 -5.101 1.00 72.33 C ATOM 801 C MET A 50 0.099 -15.300 -4.209 1.00 22.53 C ATOM 802 O MET A 50 1.260 -15.478 -3.837 1.00 33.51 O ATOM 803 CB MET A 50 0.054 -16.395 -6.478 1.00 50.13 C ATOM 804 CG MET A 50 1.461 -16.973 -6.454 1.00 43.44 C ATOM 805 SD MET A 50 2.219 -17.040 -8.089 1.00 2.12 S ATOM 806 CE MET A 50 1.093 -18.141 -8.944 1.00 63.45 C ATOM 0 H MET A 50 -2.236 -15.409 -6.066 1.00 54.25 H new ATOM 0 HA MET A 50 -0.536 -17.297 -4.619 1.00 72.33 H new ATOM 0 HB2 MET A 50 -0.565 -17.001 -7.139 1.00 50.13 H new ATOM 0 HB3 MET A 50 0.091 -15.393 -6.905 1.00 50.13 H new ATOM 0 HG2 MET A 50 2.085 -16.370 -5.794 1.00 43.44 H new ATOM 0 HG3 MET A 50 1.429 -17.978 -6.032 1.00 43.44 H new ATOM 0 HE1 MET A 50 1.589 -18.561 -9.819 1.00 63.45 H new ATOM 0 HE2 MET A 50 0.794 -18.947 -8.274 1.00 63.45 H new ATOM 0 HE3 MET A 50 0.210 -17.585 -9.260 1.00 63.45 H new ATOM 816 N GLY A 51 -0.608 -14.229 -3.865 1.00 71.32 N ATOM 817 CA GLY A 51 -0.031 -13.181 -3.038 1.00 31.51 C ATOM 818 C GLY A 51 0.448 -12.005 -3.862 1.00 15.54 C ATOM 819 O GLY A 51 0.693 -10.921 -3.331 1.00 4.20 O ATOM 0 H GLY A 51 -1.575 -14.066 -4.145 1.00 71.32 H new ATOM 0 HA2 GLY A 51 -0.773 -12.839 -2.316 1.00 31.51 H new ATOM 0 HA3 GLY A 51 0.804 -13.588 -2.468 1.00 31.51 H new ATOM 823 N ASP A 52 0.568 -12.226 -5.163 1.00 73.22 N ATOM 824 CA ASP A 52 1.021 -11.203 -6.097 1.00 52.02 C ATOM 825 C ASP A 52 0.208 -11.296 -7.382 1.00 20.15 C ATOM 826 O ASP A 52 0.028 -12.389 -7.922 1.00 72.31 O ATOM 827 CB ASP A 52 2.513 -11.388 -6.394 1.00 34.30 C ATOM 828 CG ASP A 52 3.020 -10.509 -7.525 1.00 3.31 C ATOM 829 OD1 ASP A 52 3.298 -9.316 -7.283 1.00 62.53 O ATOM 830 OD2 ASP A 52 3.186 -11.020 -8.651 1.00 72.20 O ATOM 0 H ASP A 52 0.354 -13.121 -5.603 1.00 73.22 H new ATOM 0 HA ASP A 52 0.877 -10.217 -5.655 1.00 52.02 H new ATOM 0 HB2 ASP A 52 3.085 -11.171 -5.492 1.00 34.30 H new ATOM 0 HB3 ASP A 52 2.698 -12.432 -6.645 1.00 34.30 H new ATOM 835 N PRO A 53 -0.317 -10.167 -7.883 1.00 50.01 N ATOM 836 CA PRO A 53 -0.134 -8.841 -7.288 1.00 21.02 C ATOM 837 C PRO A 53 -1.094 -8.562 -6.129 1.00 1.12 C ATOM 838 O PRO A 53 -1.793 -9.455 -5.643 1.00 23.44 O ATOM 839 CB PRO A 53 -0.424 -7.880 -8.457 1.00 12.12 C ATOM 840 CG PRO A 53 -0.770 -8.738 -9.636 1.00 64.43 C ATOM 841 CD PRO A 53 -1.136 -10.086 -9.090 1.00 31.40 C ATOM 0 HA PRO A 53 0.861 -8.736 -6.856 1.00 21.02 H new ATOM 0 HB2 PRO A 53 -1.246 -7.208 -8.212 1.00 12.12 H new ATOM 0 HB3 PRO A 53 0.444 -7.257 -8.672 1.00 12.12 H new ATOM 0 HG2 PRO A 53 -1.600 -8.309 -10.198 1.00 64.43 H new ATOM 0 HG3 PRO A 53 0.074 -8.813 -10.322 1.00 64.43 H new ATOM 0 HD2 PRO A 53 -2.200 -10.158 -8.865 1.00 31.40 H new ATOM 0 HD3 PRO A 53 -0.904 -10.886 -9.793 1.00 31.40 H new ATOM 849 N ILE A 54 -1.116 -7.315 -5.688 1.00 32.22 N ATOM 850 CA ILE A 54 -1.973 -6.902 -4.586 1.00 0.23 C ATOM 851 C ILE A 54 -3.095 -6.000 -5.105 1.00 51.51 C ATOM 852 O ILE A 54 -2.894 -5.227 -6.044 1.00 14.14 O ATOM 853 CB ILE A 54 -1.162 -6.157 -3.498 1.00 60.34 C ATOM 854 CG1 ILE A 54 0.075 -6.973 -3.105 1.00 51.33 C ATOM 855 CG2 ILE A 54 -2.029 -5.885 -2.272 1.00 2.33 C ATOM 856 CD1 ILE A 54 0.984 -6.267 -2.122 1.00 24.00 C ATOM 0 H ILE A 54 -0.546 -6.565 -6.079 1.00 32.22 H new ATOM 0 HA ILE A 54 -2.405 -7.797 -4.139 1.00 0.23 H new ATOM 0 HB ILE A 54 -0.835 -5.201 -3.907 1.00 60.34 H new ATOM 0 HG12 ILE A 54 -0.248 -7.920 -2.672 1.00 51.33 H new ATOM 0 HG13 ILE A 54 0.643 -7.211 -4.004 1.00 51.33 H new ATOM 0 HG21 ILE A 54 -1.440 -5.361 -1.519 1.00 2.33 H new ATOM 0 HG22 ILE A 54 -2.882 -5.270 -2.559 1.00 2.33 H new ATOM 0 HG23 ILE A 54 -2.385 -6.830 -1.861 1.00 2.33 H new ATOM 0 HD11 ILE A 54 1.837 -6.906 -1.892 1.00 24.00 H new ATOM 0 HD12 ILE A 54 1.338 -5.333 -2.559 1.00 24.00 H new ATOM 0 HD13 ILE A 54 0.433 -6.053 -1.206 1.00 24.00 H new ATOM 868 N ALA A 55 -4.276 -6.109 -4.503 1.00 61.05 N ATOM 869 CA ALA A 55 -5.416 -5.297 -4.905 1.00 11.31 C ATOM 870 C ALA A 55 -5.596 -4.116 -3.960 1.00 33.03 C ATOM 871 O ALA A 55 -6.067 -4.268 -2.829 1.00 21.11 O ATOM 872 CB ALA A 55 -6.682 -6.138 -4.951 1.00 33.14 C ATOM 0 H ALA A 55 -4.467 -6.753 -3.735 1.00 61.05 H new ATOM 0 HA ALA A 55 -5.222 -4.910 -5.905 1.00 11.31 H new ATOM 0 HB1 ALA A 55 -7.523 -5.514 -5.253 1.00 33.14 H new ATOM 0 HB2 ALA A 55 -6.555 -6.948 -5.669 1.00 33.14 H new ATOM 0 HB3 ALA A 55 -6.877 -6.556 -3.963 1.00 33.14 H new ATOM 878 N LEU A 56 -5.202 -2.946 -4.431 1.00 23.20 N ATOM 879 CA LEU A 56 -5.290 -1.723 -3.649 1.00 71.22 C ATOM 880 C LEU A 56 -6.512 -0.925 -4.058 1.00 70.14 C ATOM 881 O LEU A 56 -7.084 -1.164 -5.110 1.00 52.15 O ATOM 882 CB LEU A 56 -4.058 -0.841 -3.869 1.00 14.31 C ATOM 883 CG LEU A 56 -2.749 -1.305 -3.225 1.00 33.23 C ATOM 884 CD1 LEU A 56 -2.246 -2.596 -3.851 1.00 53.14 C ATOM 885 CD2 LEU A 56 -1.705 -0.210 -3.355 1.00 71.51 C ATOM 0 H LEU A 56 -4.812 -2.816 -5.365 1.00 23.20 H new ATOM 0 HA LEU A 56 -5.355 -2.012 -2.600 1.00 71.22 H new ATOM 0 HB2 LEU A 56 -3.894 -0.750 -4.943 1.00 14.31 H new ATOM 0 HB3 LEU A 56 -4.285 0.157 -3.495 1.00 14.31 H new ATOM 0 HG LEU A 56 -2.937 -1.506 -2.170 1.00 33.23 H new ATOM 0 HD11 LEU A 56 -1.315 -2.895 -3.369 1.00 53.14 H new ATOM 0 HD12 LEU A 56 -2.992 -3.380 -3.718 1.00 53.14 H new ATOM 0 HD13 LEU A 56 -2.070 -2.440 -4.915 1.00 53.14 H new ATOM 0 HD21 LEU A 56 -0.773 -0.540 -2.897 1.00 71.51 H new ATOM 0 HD22 LEU A 56 -1.534 0.006 -4.410 1.00 71.51 H new ATOM 0 HD23 LEU A 56 -2.058 0.691 -2.852 1.00 71.51 H new ATOM 897 N ARG A 57 -6.894 0.023 -3.227 1.00 2.24 N ATOM 898 CA ARG A 57 -7.924 0.986 -3.576 1.00 12.51 C ATOM 899 C ARG A 57 -7.539 2.342 -3.002 1.00 0.14 C ATOM 900 O ARG A 57 -7.508 2.522 -1.785 1.00 74.21 O ATOM 901 CB ARG A 57 -9.285 0.552 -3.032 1.00 44.32 C ATOM 902 CG ARG A 57 -10.459 1.322 -3.617 1.00 20.01 C ATOM 903 CD ARG A 57 -11.750 1.021 -2.869 1.00 3.10 C ATOM 904 NE ARG A 57 -12.012 -0.416 -2.770 1.00 34.02 N ATOM 905 CZ ARG A 57 -12.948 -0.954 -1.991 1.00 44.21 C ATOM 906 NH1 ARG A 57 -13.730 -0.182 -1.246 1.00 14.14 N ATOM 907 NH2 ARG A 57 -13.102 -2.271 -1.957 1.00 25.10 N ATOM 0 H ARG A 57 -6.502 0.149 -2.294 1.00 2.24 H new ATOM 0 HA ARG A 57 -8.004 1.048 -4.661 1.00 12.51 H new ATOM 0 HB2 ARG A 57 -9.424 -0.510 -3.234 1.00 44.32 H new ATOM 0 HB3 ARG A 57 -9.287 0.674 -1.949 1.00 44.32 H new ATOM 0 HG2 ARG A 57 -10.252 2.391 -3.573 1.00 20.01 H new ATOM 0 HG3 ARG A 57 -10.578 1.063 -4.669 1.00 20.01 H new ATOM 0 HD2 ARG A 57 -11.695 1.448 -1.868 1.00 3.10 H new ATOM 0 HD3 ARG A 57 -12.583 1.506 -3.377 1.00 3.10 H new ATOM 0 HE ARG A 57 -11.441 -1.045 -3.334 1.00 34.02 H new ATOM 0 HH11 ARG A 57 -13.616 0.831 -1.268 1.00 14.14 H new ATOM 0 HH12 ARG A 57 -14.445 -0.602 -0.652 1.00 14.14 H new ATOM 0 HH21 ARG A 57 -12.504 -2.869 -2.527 1.00 25.10 H new ATOM 0 HH22 ARG A 57 -13.818 -2.685 -1.361 1.00 25.10 H new ATOM 921 N LEU A 58 -7.217 3.281 -3.872 1.00 43.21 N ATOM 922 CA LEU A 58 -6.778 4.596 -3.439 1.00 42.13 C ATOM 923 C LEU A 58 -7.438 5.687 -4.269 1.00 71.24 C ATOM 924 O LEU A 58 -7.798 5.468 -5.427 1.00 61.25 O ATOM 925 CB LEU A 58 -5.229 4.730 -3.438 1.00 15.20 C ATOM 926 CG LEU A 58 -4.430 4.315 -4.702 1.00 14.33 C ATOM 927 CD1 LEU A 58 -4.554 2.830 -4.998 1.00 63.05 C ATOM 928 CD2 LEU A 58 -4.821 5.138 -5.921 1.00 43.32 C ATOM 0 H LEU A 58 -7.251 3.158 -4.884 1.00 43.21 H new ATOM 0 HA LEU A 58 -7.097 4.721 -2.404 1.00 42.13 H new ATOM 0 HB2 LEU A 58 -4.991 5.773 -3.227 1.00 15.20 H new ATOM 0 HB3 LEU A 58 -4.850 4.141 -2.603 1.00 15.20 H new ATOM 0 HG LEU A 58 -3.383 4.523 -4.480 1.00 14.33 H new ATOM 0 HD11 LEU A 58 -3.978 2.588 -5.891 1.00 63.05 H new ATOM 0 HD12 LEU A 58 -4.171 2.257 -4.153 1.00 63.05 H new ATOM 0 HD13 LEU A 58 -5.602 2.578 -5.162 1.00 63.05 H new ATOM 0 HD21 LEU A 58 -4.237 4.813 -6.782 1.00 43.32 H new ATOM 0 HD22 LEU A 58 -5.882 4.999 -6.129 1.00 43.32 H new ATOM 0 HD23 LEU A 58 -4.625 6.192 -5.726 1.00 43.32 H new ATOM 940 N ARG A 59 -7.644 6.843 -3.640 1.00 42.22 N ATOM 941 CA ARG A 59 -8.268 8.005 -4.278 1.00 42.42 C ATOM 942 C ARG A 59 -9.711 7.711 -4.702 1.00 41.33 C ATOM 943 O ARG A 59 -10.379 8.563 -5.285 1.00 24.53 O ATOM 944 CB ARG A 59 -7.451 8.486 -5.483 1.00 4.23 C ATOM 945 CG ARG A 59 -5.984 8.738 -5.168 1.00 61.22 C ATOM 946 CD ARG A 59 -5.274 9.424 -6.323 1.00 62.41 C ATOM 947 NE ARG A 59 -5.540 10.863 -6.359 1.00 3.11 N ATOM 948 CZ ARG A 59 -5.821 11.547 -7.465 1.00 64.23 C ATOM 949 NH1 ARG A 59 -5.957 10.922 -8.627 1.00 12.43 N ATOM 950 NH2 ARG A 59 -5.988 12.861 -7.400 1.00 60.34 N ATOM 0 H ARG A 59 -7.382 7.002 -2.667 1.00 42.22 H new ATOM 0 HA ARG A 59 -8.288 8.801 -3.534 1.00 42.42 H new ATOM 0 HB2 ARG A 59 -7.520 7.743 -6.277 1.00 4.23 H new ATOM 0 HB3 ARG A 59 -7.894 9.405 -5.867 1.00 4.23 H new ATOM 0 HG2 ARG A 59 -5.904 9.355 -4.273 1.00 61.22 H new ATOM 0 HG3 ARG A 59 -5.491 7.791 -4.948 1.00 61.22 H new ATOM 0 HD2 ARG A 59 -4.200 9.257 -6.238 1.00 62.41 H new ATOM 0 HD3 ARG A 59 -5.593 8.974 -7.263 1.00 62.41 H new ATOM 0 HE ARG A 59 -5.508 11.375 -5.478 1.00 3.11 H new ATOM 0 HH11 ARG A 59 -5.846 9.909 -8.677 1.00 12.43 H new ATOM 0 HH12 ARG A 59 -6.172 11.454 -9.470 1.00 12.43 H new ATOM 0 HH21 ARG A 59 -5.901 13.343 -6.505 1.00 60.34 H new ATOM 0 HH22 ARG A 59 -6.204 13.390 -8.245 1.00 60.34 H new ATOM 964 N GLY A 60 -10.191 6.511 -4.391 1.00 44.01 N ATOM 965 CA GLY A 60 -11.544 6.141 -4.742 1.00 61.31 C ATOM 966 C GLY A 60 -11.605 4.948 -5.681 1.00 34.04 C ATOM 967 O GLY A 60 -12.665 4.351 -5.853 1.00 51.51 O ATOM 0 H GLY A 60 -9.663 5.789 -3.901 1.00 44.01 H new ATOM 0 HA2 GLY A 60 -12.100 5.911 -3.833 1.00 61.31 H new ATOM 0 HA3 GLY A 60 -12.038 6.992 -5.211 1.00 61.31 H new ATOM 971 N TYR A 61 -10.475 4.589 -6.281 1.00 45.43 N ATOM 972 CA TYR A 61 -10.453 3.501 -7.252 1.00 41.20 C ATOM 973 C TYR A 61 -9.388 2.459 -6.932 1.00 13.52 C ATOM 974 O TYR A 61 -8.356 2.759 -6.334 1.00 5.42 O ATOM 975 CB TYR A 61 -10.266 4.037 -8.675 1.00 1.43 C ATOM 976 CG TYR A 61 -9.262 5.172 -8.800 1.00 30.22 C ATOM 977 CD1 TYR A 61 -7.916 4.914 -9.022 1.00 62.04 C ATOM 978 CD2 TYR A 61 -9.663 6.500 -8.703 1.00 42.32 C ATOM 979 CE1 TYR A 61 -6.999 5.942 -9.140 1.00 40.44 C ATOM 980 CE2 TYR A 61 -8.751 7.532 -8.822 1.00 20.33 C ATOM 981 CZ TYR A 61 -7.420 7.248 -9.040 1.00 2.02 C ATOM 982 OH TYR A 61 -6.506 8.274 -9.157 1.00 4.45 O ATOM 0 H TYR A 61 -9.571 5.030 -6.114 1.00 45.43 H new ATOM 0 HA TYR A 61 -11.422 3.006 -7.188 1.00 41.20 H new ATOM 0 HB2 TYR A 61 -9.948 3.217 -9.319 1.00 1.43 H new ATOM 0 HB3 TYR A 61 -11.231 4.381 -9.049 1.00 1.43 H new ATOM 0 HD1 TYR A 61 -7.579 3.891 -9.104 1.00 62.04 H new ATOM 0 HD2 TYR A 61 -10.704 6.729 -8.532 1.00 42.32 H new ATOM 0 HE1 TYR A 61 -5.956 5.721 -9.310 1.00 40.44 H new ATOM 0 HE2 TYR A 61 -9.080 8.558 -8.744 1.00 20.33 H new ATOM 0 HH TYR A 61 -5.598 7.916 -9.066 1.00 4.45 H new ATOM 992 N SER A 62 -9.667 1.231 -7.333 1.00 54.04 N ATOM 993 CA SER A 62 -8.777 0.105 -7.091 1.00 34.52 C ATOM 994 C SER A 62 -7.689 -0.002 -8.156 1.00 13.21 C ATOM 995 O SER A 62 -7.913 0.282 -9.338 1.00 12.32 O ATOM 996 CB SER A 62 -9.579 -1.200 -7.038 1.00 21.21 C ATOM 997 OG SER A 62 -8.744 -2.323 -6.808 1.00 22.13 O ATOM 0 H SER A 62 -10.519 0.984 -7.837 1.00 54.04 H new ATOM 0 HA SER A 62 -8.289 0.276 -6.131 1.00 34.52 H new ATOM 0 HB2 SER A 62 -10.327 -1.135 -6.247 1.00 21.21 H new ATOM 0 HB3 SER A 62 -10.118 -1.334 -7.976 1.00 21.21 H new ATOM 0 HG SER A 62 -8.169 -2.150 -6.033 1.00 22.13 H new ATOM 1003 N LEU A 63 -6.513 -0.422 -7.712 1.00 55.15 N ATOM 1004 CA LEU A 63 -5.361 -0.649 -8.583 1.00 70.11 C ATOM 1005 C LEU A 63 -4.696 -1.966 -8.222 1.00 1.00 C ATOM 1006 O LEU A 63 -4.645 -2.342 -7.051 1.00 14.14 O ATOM 1007 CB LEU A 63 -4.310 0.464 -8.462 1.00 1.32 C ATOM 1008 CG LEU A 63 -4.592 1.765 -9.218 1.00 60.12 C ATOM 1009 CD1 LEU A 63 -4.951 1.482 -10.666 1.00 23.02 C ATOM 1010 CD2 LEU A 63 -5.683 2.571 -8.535 1.00 73.44 C ATOM 0 H LEU A 63 -6.327 -0.618 -6.728 1.00 55.15 H new ATOM 0 HA LEU A 63 -5.736 -0.664 -9.606 1.00 70.11 H new ATOM 0 HB2 LEU A 63 -4.190 0.704 -7.406 1.00 1.32 H new ATOM 0 HB3 LEU A 63 -3.355 0.069 -8.810 1.00 1.32 H new ATOM 0 HG LEU A 63 -3.681 2.363 -9.206 1.00 60.12 H new ATOM 0 HD11 LEU A 63 -5.147 2.422 -11.183 1.00 23.02 H new ATOM 0 HD12 LEU A 63 -4.123 0.967 -11.152 1.00 23.02 H new ATOM 0 HD13 LEU A 63 -5.841 0.854 -10.704 1.00 23.02 H new ATOM 0 HD21 LEU A 63 -5.861 3.489 -9.095 1.00 73.44 H new ATOM 0 HD22 LEU A 63 -6.601 1.984 -8.499 1.00 73.44 H new ATOM 0 HD23 LEU A 63 -5.371 2.819 -7.520 1.00 73.44 H new ATOM 1022 N SER A 64 -4.192 -2.660 -9.222 1.00 44.35 N ATOM 1023 CA SER A 64 -3.451 -3.877 -9.008 1.00 74.21 C ATOM 1024 C SER A 64 -1.970 -3.649 -9.294 1.00 31.20 C ATOM 1025 O SER A 64 -1.575 -3.458 -10.448 1.00 33.25 O ATOM 1026 CB SER A 64 -4.003 -4.957 -9.928 1.00 42.54 C ATOM 1027 OG SER A 64 -5.361 -4.701 -10.255 1.00 11.31 O ATOM 0 H SER A 64 -4.287 -2.394 -10.202 1.00 44.35 H new ATOM 0 HA SER A 64 -3.555 -4.191 -7.969 1.00 74.21 H new ATOM 0 HB2 SER A 64 -3.408 -5.002 -10.840 1.00 42.54 H new ATOM 0 HB3 SER A 64 -3.919 -5.930 -9.444 1.00 42.54 H new ATOM 0 HG SER A 64 -5.693 -5.407 -10.848 1.00 11.31 H new ATOM 1033 N LEU A 65 -1.155 -3.662 -8.249 1.00 63.51 N ATOM 1034 CA LEU A 65 0.282 -3.486 -8.408 1.00 63.12 C ATOM 1035 C LEU A 65 1.034 -4.653 -7.781 1.00 30.55 C ATOM 1036 O LEU A 65 0.489 -5.379 -6.946 1.00 53.13 O ATOM 1037 CB LEU A 65 0.741 -2.133 -7.836 1.00 31.22 C ATOM 1038 CG LEU A 65 0.242 -1.773 -6.433 1.00 41.35 C ATOM 1039 CD1 LEU A 65 0.979 -2.562 -5.363 1.00 62.23 C ATOM 1040 CD2 LEU A 65 0.396 -0.280 -6.192 1.00 62.43 C ATOM 0 H LEU A 65 -1.462 -3.792 -7.285 1.00 63.51 H new ATOM 0 HA LEU A 65 0.514 -3.477 -9.473 1.00 63.12 H new ATOM 0 HB2 LEU A 65 1.831 -2.122 -7.823 1.00 31.22 H new ATOM 0 HB3 LEU A 65 0.422 -1.348 -8.522 1.00 31.22 H new ATOM 0 HG LEU A 65 -0.814 -2.037 -6.371 1.00 41.35 H new ATOM 0 HD11 LEU A 65 0.601 -2.283 -4.380 1.00 62.23 H new ATOM 0 HD12 LEU A 65 0.820 -3.628 -5.523 1.00 62.23 H new ATOM 0 HD13 LEU A 65 2.045 -2.342 -5.418 1.00 62.23 H new ATOM 0 HD21 LEU A 65 0.039 -0.034 -5.192 1.00 62.43 H new ATOM 0 HD22 LEU A 65 1.447 -0.004 -6.280 1.00 62.43 H new ATOM 0 HD23 LEU A 65 -0.187 0.270 -6.931 1.00 62.43 H new ATOM 1052 N ARG A 66 2.284 -4.828 -8.184 1.00 14.01 N ATOM 1053 CA ARG A 66 3.034 -6.031 -7.843 1.00 72.50 C ATOM 1054 C ARG A 66 3.599 -5.976 -6.430 1.00 21.01 C ATOM 1055 O ARG A 66 3.713 -4.912 -5.823 1.00 55.44 O ATOM 1056 CB ARG A 66 4.167 -6.279 -8.847 1.00 53.13 C ATOM 1057 CG ARG A 66 3.696 -6.652 -10.248 1.00 0.15 C ATOM 1058 CD ARG A 66 3.082 -5.465 -10.963 1.00 43.32 C ATOM 1059 NE ARG A 66 2.615 -5.794 -12.302 1.00 60.32 N ATOM 1060 CZ ARG A 66 2.402 -4.886 -13.246 1.00 43.05 C ATOM 1061 NH1 ARG A 66 2.624 -3.596 -12.994 1.00 73.12 N ATOM 1062 NH2 ARG A 66 1.970 -5.266 -14.439 1.00 23.25 N ATOM 0 H ARG A 66 2.801 -4.153 -8.747 1.00 14.01 H new ATOM 0 HA ARG A 66 2.328 -6.860 -7.890 1.00 72.50 H new ATOM 0 HB2 ARG A 66 4.783 -5.382 -8.911 1.00 53.13 H new ATOM 0 HB3 ARG A 66 4.805 -7.077 -8.467 1.00 53.13 H new ATOM 0 HG2 ARG A 66 4.538 -7.031 -10.827 1.00 0.15 H new ATOM 0 HG3 ARG A 66 2.965 -7.458 -10.184 1.00 0.15 H new ATOM 0 HD2 ARG A 66 2.247 -5.084 -10.375 1.00 43.32 H new ATOM 0 HD3 ARG A 66 3.818 -4.664 -11.026 1.00 43.32 H new ATOM 0 HE ARG A 66 2.442 -6.774 -12.526 1.00 60.32 H new ATOM 0 HH11 ARG A 66 2.958 -3.306 -12.075 1.00 73.12 H new ATOM 0 HH12 ARG A 66 2.460 -2.899 -13.720 1.00 73.12 H new ATOM 0 HH21 ARG A 66 1.802 -6.254 -14.630 1.00 23.25 H new ATOM 0 HH22 ARG A 66 1.805 -4.571 -15.167 1.00 23.25 H new ATOM 1076 N LYS A 67 3.955 -7.147 -5.931 1.00 30.41 N ATOM 1077 CA LYS A 67 4.508 -7.314 -4.595 1.00 31.24 C ATOM 1078 C LYS A 67 5.779 -6.482 -4.407 1.00 61.22 C ATOM 1079 O LYS A 67 5.866 -5.668 -3.490 1.00 34.13 O ATOM 1080 CB LYS A 67 4.805 -8.798 -4.375 1.00 71.10 C ATOM 1081 CG LYS A 67 4.955 -9.211 -2.923 1.00 71.44 C ATOM 1082 CD LYS A 67 5.097 -10.721 -2.820 1.00 21.01 C ATOM 1083 CE LYS A 67 4.975 -11.215 -1.389 1.00 11.34 C ATOM 1084 NZ LYS A 67 5.008 -12.702 -1.317 1.00 51.12 N ATOM 0 H LYS A 67 3.867 -8.022 -6.448 1.00 30.41 H new ATOM 0 HA LYS A 67 3.782 -6.963 -3.862 1.00 31.24 H new ATOM 0 HB2 LYS A 67 4.003 -9.384 -4.823 1.00 71.10 H new ATOM 0 HB3 LYS A 67 5.722 -9.053 -4.907 1.00 71.10 H new ATOM 0 HG2 LYS A 67 5.828 -8.726 -2.487 1.00 71.44 H new ATOM 0 HG3 LYS A 67 4.088 -8.880 -2.351 1.00 71.44 H new ATOM 0 HD2 LYS A 67 4.333 -11.198 -3.433 1.00 21.01 H new ATOM 0 HD3 LYS A 67 6.064 -11.021 -3.225 1.00 21.01 H new ATOM 0 HE2 LYS A 67 5.788 -10.803 -0.791 1.00 11.34 H new ATOM 0 HE3 LYS A 67 4.044 -10.850 -0.956 1.00 11.34 H new ATOM 0 HZ1 LYS A 67 4.922 -13.004 -0.325 1.00 51.12 H new ATOM 0 HZ2 LYS A 67 4.217 -13.094 -1.868 1.00 51.12 H new ATOM 0 HZ3 LYS A 67 5.907 -13.049 -1.708 1.00 51.12 H new ATOM 1098 N SER A 68 6.754 -6.673 -5.289 1.00 31.11 N ATOM 1099 CA SER A 68 8.020 -5.950 -5.196 1.00 50.12 C ATOM 1100 C SER A 68 7.863 -4.498 -5.657 1.00 65.31 C ATOM 1101 O SER A 68 8.747 -3.669 -5.452 1.00 13.02 O ATOM 1102 CB SER A 68 9.088 -6.665 -6.021 1.00 73.45 C ATOM 1103 OG SER A 68 9.262 -8.000 -5.568 1.00 31.30 O ATOM 0 H SER A 68 6.694 -7.320 -6.075 1.00 31.11 H new ATOM 0 HA SER A 68 8.331 -5.933 -4.152 1.00 50.12 H new ATOM 0 HB2 SER A 68 8.801 -6.667 -7.073 1.00 73.45 H new ATOM 0 HB3 SER A 68 10.032 -6.125 -5.949 1.00 73.45 H new ATOM 0 HG SER A 68 9.949 -8.442 -6.110 1.00 31.30 H new ATOM 1109 N GLU A 69 6.729 -4.207 -6.272 1.00 64.20 N ATOM 1110 CA GLU A 69 6.390 -2.861 -6.698 1.00 25.52 C ATOM 1111 C GLU A 69 5.879 -2.077 -5.493 1.00 24.04 C ATOM 1112 O GLU A 69 6.239 -0.922 -5.274 1.00 73.54 O ATOM 1113 CB GLU A 69 5.325 -2.966 -7.790 1.00 33.52 C ATOM 1114 CG GLU A 69 5.167 -1.739 -8.664 1.00 1.21 C ATOM 1115 CD GLU A 69 4.321 -2.029 -9.894 1.00 42.34 C ATOM 1116 OE1 GLU A 69 3.254 -2.664 -9.750 1.00 61.54 O ATOM 1117 OE2 GLU A 69 4.721 -1.635 -11.011 1.00 41.44 O ATOM 0 H GLU A 69 6.015 -4.902 -6.491 1.00 64.20 H new ATOM 0 HA GLU A 69 7.258 -2.337 -7.099 1.00 25.52 H new ATOM 0 HB2 GLU A 69 5.565 -3.817 -8.428 1.00 33.52 H new ATOM 0 HB3 GLU A 69 4.366 -3.182 -7.319 1.00 33.52 H new ATOM 0 HG2 GLU A 69 4.706 -0.938 -8.086 1.00 1.21 H new ATOM 0 HG3 GLU A 69 6.150 -1.384 -8.974 1.00 1.21 H new ATOM 1124 N ALA A 70 5.051 -2.749 -4.701 1.00 63.04 N ATOM 1125 CA ALA A 70 4.551 -2.211 -3.439 1.00 42.04 C ATOM 1126 C ALA A 70 5.664 -2.125 -2.397 1.00 64.34 C ATOM 1127 O ALA A 70 5.558 -1.392 -1.416 1.00 60.42 O ATOM 1128 CB ALA A 70 3.417 -3.077 -2.914 1.00 12.50 C ATOM 0 H ALA A 70 4.706 -3.685 -4.916 1.00 63.04 H new ATOM 0 HA ALA A 70 4.179 -1.204 -3.626 1.00 42.04 H new ATOM 0 HB1 ALA A 70 3.052 -2.667 -1.973 1.00 12.50 H new ATOM 0 HB2 ALA A 70 2.606 -3.094 -3.642 1.00 12.50 H new ATOM 0 HB3 ALA A 70 3.780 -4.092 -2.751 1.00 12.50 H new ATOM 1134 N LYS A 71 6.715 -2.907 -2.607 1.00 42.23 N ATOM 1135 CA LYS A 71 7.856 -2.960 -1.695 1.00 72.24 C ATOM 1136 C LYS A 71 8.524 -1.590 -1.530 1.00 41.30 C ATOM 1137 O LYS A 71 9.121 -1.307 -0.492 1.00 55.11 O ATOM 1138 CB LYS A 71 8.867 -3.993 -2.211 1.00 23.04 C ATOM 1139 CG LYS A 71 10.159 -4.073 -1.416 1.00 72.40 C ATOM 1140 CD LYS A 71 9.923 -4.521 0.017 1.00 45.24 C ATOM 1141 CE LYS A 71 11.218 -4.509 0.811 1.00 32.11 C ATOM 1142 NZ LYS A 71 11.799 -3.142 0.891 1.00 1.12 N ATOM 0 H LYS A 71 6.803 -3.524 -3.415 1.00 42.23 H new ATOM 0 HA LYS A 71 7.494 -3.257 -0.711 1.00 72.24 H new ATOM 0 HB2 LYS A 71 8.394 -4.975 -2.209 1.00 23.04 H new ATOM 0 HB3 LYS A 71 9.109 -3.758 -3.247 1.00 23.04 H new ATOM 0 HG2 LYS A 71 10.842 -4.768 -1.905 1.00 72.40 H new ATOM 0 HG3 LYS A 71 10.644 -3.097 -1.415 1.00 72.40 H new ATOM 0 HD2 LYS A 71 9.195 -3.864 0.492 1.00 45.24 H new ATOM 0 HD3 LYS A 71 9.498 -5.525 0.023 1.00 45.24 H new ATOM 0 HE2 LYS A 71 11.032 -4.885 1.817 1.00 32.11 H new ATOM 0 HE3 LYS A 71 11.937 -5.184 0.346 1.00 32.11 H new ATOM 0 HZ1 LYS A 71 12.476 -3.098 1.679 1.00 1.12 H new ATOM 0 HZ2 LYS A 71 12.289 -2.920 0.001 1.00 1.12 H new ATOM 0 HZ3 LYS A 71 11.039 -2.450 1.049 1.00 1.12 H new ATOM 1156 N ASP A 72 8.400 -0.738 -2.543 1.00 10.22 N ATOM 1157 CA ASP A 72 9.041 0.577 -2.521 1.00 22.54 C ATOM 1158 C ASP A 72 8.176 1.588 -1.752 1.00 34.32 C ATOM 1159 O ASP A 72 8.570 2.733 -1.536 1.00 22.41 O ATOM 1160 CB ASP A 72 9.312 1.051 -3.960 1.00 52.13 C ATOM 1161 CG ASP A 72 10.231 2.258 -4.036 1.00 54.41 C ATOM 1162 OD1 ASP A 72 11.467 2.059 -4.090 1.00 32.33 O ATOM 1163 OD2 ASP A 72 9.727 3.401 -4.076 1.00 13.24 O ATOM 0 H ASP A 72 7.863 -0.932 -3.388 1.00 10.22 H new ATOM 0 HA ASP A 72 9.996 0.499 -2.001 1.00 22.54 H new ATOM 0 HB2 ASP A 72 9.753 0.232 -4.527 1.00 52.13 H new ATOM 0 HB3 ASP A 72 8.364 1.295 -4.439 1.00 52.13 H new ATOM 1168 N ILE A 73 7.004 1.139 -1.310 1.00 1.33 N ATOM 1169 CA ILE A 73 6.088 1.991 -0.559 1.00 30.40 C ATOM 1170 C ILE A 73 6.164 1.682 0.933 1.00 31.00 C ATOM 1171 O ILE A 73 6.055 0.522 1.340 1.00 31.01 O ATOM 1172 CB ILE A 73 4.626 1.804 -1.027 1.00 11.33 C ATOM 1173 CG1 ILE A 73 4.527 1.975 -2.542 1.00 23.41 C ATOM 1174 CG2 ILE A 73 3.709 2.795 -0.320 1.00 33.00 C ATOM 1175 CD1 ILE A 73 3.144 1.718 -3.100 1.00 2.23 C ATOM 0 H ILE A 73 6.666 0.188 -1.460 1.00 1.33 H new ATOM 0 HA ILE A 73 6.392 3.022 -0.741 1.00 30.40 H new ATOM 0 HB ILE A 73 4.307 0.794 -0.770 1.00 11.33 H new ATOM 0 HG12 ILE A 73 4.831 2.988 -2.804 1.00 23.41 H new ATOM 0 HG13 ILE A 73 5.233 1.297 -3.021 1.00 23.41 H new ATOM 0 HG21 ILE A 73 2.684 2.650 -0.661 1.00 33.00 H new ATOM 0 HG22 ILE A 73 3.760 2.633 0.757 1.00 33.00 H new ATOM 0 HG23 ILE A 73 4.027 3.812 -0.549 1.00 33.00 H new ATOM 0 HD11 ILE A 73 3.156 1.860 -4.181 1.00 2.23 H new ATOM 0 HD12 ILE A 73 2.844 0.696 -2.871 1.00 2.23 H new ATOM 0 HD13 ILE A 73 2.435 2.414 -2.651 1.00 2.23 H new ATOM 1187 N LEU A 74 6.353 2.718 1.743 1.00 75.11 N ATOM 1188 CA LEU A 74 6.385 2.569 3.189 1.00 14.52 C ATOM 1189 C LEU A 74 5.102 3.129 3.796 1.00 4.30 C ATOM 1190 O LEU A 74 4.814 4.322 3.670 1.00 74.11 O ATOM 1191 CB LEU A 74 7.591 3.309 3.765 1.00 54.13 C ATOM 1192 CG LEU A 74 8.945 2.915 3.175 1.00 54.23 C ATOM 1193 CD1 LEU A 74 10.043 3.798 3.743 1.00 54.44 C ATOM 1194 CD2 LEU A 74 9.243 1.449 3.454 1.00 72.54 C ATOM 0 H LEU A 74 6.487 3.675 1.417 1.00 75.11 H new ATOM 0 HA LEU A 74 6.467 1.510 3.433 1.00 14.52 H new ATOM 0 HB2 LEU A 74 7.445 4.379 3.614 1.00 54.13 H new ATOM 0 HB3 LEU A 74 7.620 3.140 4.841 1.00 54.13 H new ATOM 0 HG LEU A 74 8.907 3.057 2.095 1.00 54.23 H new ATOM 0 HD11 LEU A 74 11.002 3.507 3.315 1.00 54.44 H new ATOM 0 HD12 LEU A 74 9.837 4.839 3.496 1.00 54.44 H new ATOM 0 HD13 LEU A 74 10.079 3.682 4.826 1.00 54.44 H new ATOM 0 HD21 LEU A 74 10.211 1.187 3.027 1.00 72.54 H new ATOM 0 HD22 LEU A 74 9.264 1.281 4.531 1.00 72.54 H new ATOM 0 HD23 LEU A 74 8.468 0.828 3.005 1.00 72.54 H new ATOM 1206 N VAL A 75 4.335 2.272 4.453 1.00 42.15 N ATOM 1207 CA VAL A 75 3.032 2.663 4.977 1.00 70.21 C ATOM 1208 C VAL A 75 2.875 2.294 6.449 1.00 61.50 C ATOM 1209 O VAL A 75 3.408 1.282 6.909 1.00 61.25 O ATOM 1210 CB VAL A 75 1.888 2.006 4.173 1.00 15.13 C ATOM 1211 CG1 VAL A 75 1.786 2.610 2.779 1.00 44.04 C ATOM 1212 CG2 VAL A 75 2.093 0.500 4.082 1.00 72.53 C ATOM 0 H VAL A 75 4.591 1.302 4.637 1.00 42.15 H new ATOM 0 HA VAL A 75 2.974 3.747 4.879 1.00 70.21 H new ATOM 0 HB VAL A 75 0.953 2.199 4.699 1.00 15.13 H new ATOM 0 HG11 VAL A 75 0.973 2.131 2.233 1.00 44.04 H new ATOM 0 HG12 VAL A 75 1.588 3.679 2.859 1.00 44.04 H new ATOM 0 HG13 VAL A 75 2.723 2.454 2.245 1.00 44.04 H new ATOM 0 HG21 VAL A 75 1.277 0.056 3.512 1.00 72.53 H new ATOM 0 HG22 VAL A 75 3.040 0.291 3.584 1.00 72.53 H new ATOM 0 HG23 VAL A 75 2.109 0.074 5.085 1.00 72.53 H new ATOM 1222 N GLU A 76 2.149 3.130 7.181 1.00 51.11 N ATOM 1223 CA GLU A 76 1.852 2.867 8.584 1.00 11.33 C ATOM 1224 C GLU A 76 0.440 2.313 8.727 1.00 40.15 C ATOM 1225 O GLU A 76 -0.487 2.766 8.047 1.00 33.30 O ATOM 1226 CB GLU A 76 2.023 4.137 9.431 1.00 54.41 C ATOM 1227 CG GLU A 76 1.265 5.347 8.905 1.00 43.14 C ATOM 1228 CD GLU A 76 1.494 6.593 9.741 1.00 73.15 C ATOM 1229 OE1 GLU A 76 2.662 7.007 9.898 1.00 72.35 O ATOM 1230 OE2 GLU A 76 0.506 7.184 10.221 1.00 31.04 O ATOM 0 H GLU A 76 1.753 4.000 6.824 1.00 51.11 H new ATOM 0 HA GLU A 76 2.559 2.123 8.950 1.00 11.33 H new ATOM 0 HB2 GLU A 76 1.691 3.929 10.448 1.00 54.41 H new ATOM 0 HB3 GLU A 76 3.083 4.383 9.486 1.00 54.41 H new ATOM 0 HG2 GLU A 76 1.571 5.543 7.877 1.00 43.14 H new ATOM 0 HG3 GLU A 76 0.199 5.121 8.883 1.00 43.14 H new ATOM 1237 N VAL A 77 0.286 1.323 9.595 1.00 22.52 N ATOM 1238 CA VAL A 77 -1.002 0.680 9.803 1.00 1.43 C ATOM 1239 C VAL A 77 -1.923 1.578 10.619 1.00 25.22 C ATOM 1240 O VAL A 77 -1.686 1.819 11.804 1.00 44.14 O ATOM 1241 CB VAL A 77 -0.845 -0.680 10.517 1.00 50.25 C ATOM 1242 CG1 VAL A 77 -2.183 -1.397 10.616 1.00 2.54 C ATOM 1243 CG2 VAL A 77 0.177 -1.549 9.800 1.00 2.01 C ATOM 0 H VAL A 77 1.041 0.947 10.168 1.00 22.52 H new ATOM 0 HA VAL A 77 -1.442 0.507 8.821 1.00 1.43 H new ATOM 0 HB VAL A 77 -0.485 -0.492 11.528 1.00 50.25 H new ATOM 0 HG11 VAL A 77 -2.047 -2.353 11.123 1.00 2.54 H new ATOM 0 HG12 VAL A 77 -2.884 -0.783 11.181 1.00 2.54 H new ATOM 0 HG13 VAL A 77 -2.578 -1.570 9.615 1.00 2.54 H new ATOM 0 HG21 VAL A 77 0.272 -2.502 10.320 1.00 2.01 H new ATOM 0 HG22 VAL A 77 -0.150 -1.725 8.775 1.00 2.01 H new ATOM 0 HG23 VAL A 77 1.142 -1.043 9.791 1.00 2.01 H new ATOM 1253 N LEU A 78 -2.977 2.068 9.978 1.00 23.12 N ATOM 1254 CA LEU A 78 -3.912 2.979 10.625 1.00 44.10 C ATOM 1255 C LEU A 78 -4.857 2.223 11.547 1.00 70.12 C ATOM 1256 O LEU A 78 -5.484 2.803 12.434 1.00 23.20 O ATOM 1257 CB LEU A 78 -4.719 3.746 9.573 1.00 71.44 C ATOM 1258 CG LEU A 78 -3.894 4.594 8.601 1.00 12.10 C ATOM 1259 CD1 LEU A 78 -4.802 5.246 7.567 1.00 43.24 C ATOM 1260 CD2 LEU A 78 -3.103 5.650 9.358 1.00 73.22 C ATOM 0 H LEU A 78 -3.206 1.849 9.008 1.00 23.12 H new ATOM 0 HA LEU A 78 -3.336 3.686 11.222 1.00 44.10 H new ATOM 0 HB2 LEU A 78 -5.305 3.030 8.997 1.00 71.44 H new ATOM 0 HB3 LEU A 78 -5.426 4.397 10.086 1.00 71.44 H new ATOM 0 HG LEU A 78 -3.190 3.943 8.082 1.00 12.10 H new ATOM 0 HD11 LEU A 78 -4.202 5.846 6.883 1.00 43.24 H new ATOM 0 HD12 LEU A 78 -5.329 4.474 7.006 1.00 43.24 H new ATOM 0 HD13 LEU A 78 -5.526 5.886 8.071 1.00 43.24 H new ATOM 0 HD21 LEU A 78 -2.522 6.244 8.653 1.00 73.22 H new ATOM 0 HD22 LEU A 78 -3.790 6.300 9.901 1.00 73.22 H new ATOM 0 HD23 LEU A 78 -2.430 5.164 10.064 1.00 73.22 H new