USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 513 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 58 LYS NZ :NH3+ -104:sc= 1.64 (180deg=-4.14!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.1) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.948) USER MOD Single : A 7 MET CE :methyl -157:sc= -0.141 (180deg=-1.92) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 2.14 (180deg=2.04) USER MOD Single : A 18 THR OG1 : rot -31:sc= 0.317 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00492 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00718 USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0.706 (180deg=0.695) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00576 X(o=-0.0058,f=-0.38) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 150:sc= 0.17 USER MOD Single : A 40 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= 0.077 K(o=0.077,f=-1.5) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 48:sc= -0.615! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 50 HIS : no HE2:sc= 0.969 K(o=0.97,f=-3!) USER MOD Single : A 53 SER OG : rot 75:sc= 1.28 USER MOD Single : A 57 MET CE :methyl -111:sc= -2.43 (180deg=-5.44!) USER MOD Single : A 60 GLN : amide:sc= 0.327 K(o=0.33,f=-2.4!) USER MOD Single : A 64 MET CE :methyl -172:sc= 0 (180deg=-0.0646) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.680 7.362 8.355 1.00 0.00 N ATOM 26 CA VAL A 3 -3.242 7.519 8.409 1.00 0.00 C ATOM 27 C VAL A 3 -2.675 7.242 7.019 1.00 0.00 C ATOM 28 O VAL A 3 -3.085 6.291 6.352 1.00 0.00 O ATOM 29 CB VAL A 3 -2.671 6.518 9.425 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.204 6.843 9.700 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.452 6.541 10.745 1.00 0.00 C ATOM 0 HA VAL A 3 -2.973 8.530 8.717 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.761 5.521 8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.803 6.131 10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.637 6.778 8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.124 7.852 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.018 5.820 11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.400 7.539 11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.494 6.281 10.556 1.00 0.00 H new ATOM 41 N VAL A 4 -1.729 8.070 6.582 1.00 0.00 N ATOM 42 CA VAL A 4 -0.996 7.881 5.353 1.00 0.00 C ATOM 43 C VAL A 4 0.135 6.881 5.608 1.00 0.00 C ATOM 44 O VAL A 4 0.864 7.005 6.591 1.00 0.00 O ATOM 45 CB VAL A 4 -0.478 9.252 4.897 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.492 9.094 3.731 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.648 10.147 4.465 1.00 0.00 C ATOM 0 H VAL A 4 -1.451 8.908 7.092 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.622 7.473 4.559 1.00 0.00 H new ATOM 0 HB VAL A 4 0.041 9.715 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.850 10.075 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.338 8.481 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.018 8.612 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.266 11.116 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.181 9.676 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.329 10.286 5.304 1.00 0.00 H new ATOM 57 N LEU A 5 0.291 5.911 4.709 1.00 0.00 N ATOM 58 CA LEU A 5 1.385 4.956 4.684 1.00 0.00 C ATOM 59 C LEU A 5 2.225 5.226 3.440 1.00 0.00 C ATOM 60 O LEU A 5 1.656 5.589 2.411 1.00 0.00 O ATOM 61 CB LEU A 5 0.803 3.550 4.612 1.00 0.00 C ATOM 62 CG LEU A 5 1.956 2.533 4.654 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.729 1.442 5.685 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.173 1.914 3.277 1.00 0.00 C ATOM 0 H LEU A 5 -0.373 5.767 3.948 1.00 0.00 H new ATOM 0 HA LEU A 5 2.002 5.049 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.120 3.381 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.225 3.427 3.696 1.00 0.00 H new ATOM 0 HG LEU A 5 2.851 3.080 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.571 0.750 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.640 1.890 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.813 0.902 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.993 1.197 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.263 1.404 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.419 2.698 2.560 1.00 0.00 H new ATOM 76 N LYS A 6 3.541 4.982 3.500 1.00 0.00 N ATOM 77 CA LYS A 6 4.376 4.815 2.317 1.00 0.00 C ATOM 78 C LYS A 6 4.935 3.385 2.290 1.00 0.00 C ATOM 79 O LYS A 6 5.596 2.962 3.244 1.00 0.00 O ATOM 80 CB LYS A 6 5.501 5.860 2.300 1.00 0.00 C ATOM 81 CG LYS A 6 6.052 6.038 0.873 1.00 0.00 C ATOM 82 CD LYS A 6 5.770 7.446 0.323 1.00 0.00 C ATOM 83 CE LYS A 6 6.835 8.464 0.756 1.00 0.00 C ATOM 84 NZ LYS A 6 8.082 8.323 -0.025 1.00 0.00 N ATOM 0 H LYS A 6 4.053 4.896 4.378 1.00 0.00 H new ATOM 0 HA LYS A 6 3.776 4.971 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.125 6.813 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.303 5.550 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.127 5.856 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.603 5.294 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.729 7.407 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.791 7.779 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.443 9.474 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.053 8.332 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.814 8.944 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.407 7.336 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.904 8.589 -1.014 1.00 0.00 H new ATOM 98 N MET A 7 4.671 2.647 1.205 1.00 0.00 N ATOM 99 CA MET A 7 5.288 1.363 0.920 1.00 0.00 C ATOM 100 C MET A 7 6.136 1.472 -0.347 1.00 0.00 C ATOM 101 O MET A 7 5.976 2.397 -1.145 1.00 0.00 O ATOM 102 CB MET A 7 4.239 0.245 0.797 1.00 0.00 C ATOM 103 CG MET A 7 3.153 0.509 -0.241 1.00 0.00 C ATOM 104 SD MET A 7 2.241 -0.975 -0.749 1.00 0.00 S ATOM 105 CE MET A 7 1.116 -0.276 -1.979 1.00 0.00 C ATOM 0 H MET A 7 4.006 2.940 0.489 1.00 0.00 H new ATOM 0 HA MET A 7 5.935 1.095 1.755 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.747 -0.686 0.545 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.767 0.098 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.448 1.236 0.163 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.609 0.962 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.246 -0.924 -2.086 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.794 0.714 -1.656 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.629 -0.196 -2.937 1.00 0.00 H new ATOM 115 N LYS A 8 7.017 0.492 -0.517 1.00 0.00 N ATOM 116 CA LYS A 8 7.805 0.226 -1.700 1.00 0.00 C ATOM 117 C LYS A 8 7.230 -1.044 -2.325 1.00 0.00 C ATOM 118 O LYS A 8 7.017 -2.026 -1.615 1.00 0.00 O ATOM 119 CB LYS A 8 9.268 0.019 -1.277 1.00 0.00 C ATOM 120 CG LYS A 8 10.160 1.235 -1.557 1.00 0.00 C ATOM 121 CD LYS A 8 10.259 1.503 -3.066 1.00 0.00 C ATOM 122 CE LYS A 8 11.604 2.133 -3.452 1.00 0.00 C ATOM 123 NZ LYS A 8 11.787 2.153 -4.916 1.00 0.00 N ATOM 0 H LYS A 8 7.208 -0.181 0.225 1.00 0.00 H new ATOM 0 HA LYS A 8 7.773 1.046 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.302 -0.210 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.671 -0.847 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.755 2.113 -1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.155 1.063 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.128 0.567 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.448 2.165 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.656 3.150 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.416 1.572 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.739 2.506 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.676 1.190 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.075 2.777 -5.346 1.00 0.00 H new ATOM 137 N VAL A 9 6.971 -1.014 -3.633 1.00 0.00 N ATOM 138 CA VAL A 9 6.452 -2.110 -4.439 1.00 0.00 C ATOM 139 C VAL A 9 7.547 -2.481 -5.442 1.00 0.00 C ATOM 140 O VAL A 9 7.370 -2.374 -6.657 1.00 0.00 O ATOM 141 CB VAL A 9 5.143 -1.674 -5.130 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.434 -2.873 -5.776 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.178 -1.023 -4.130 1.00 0.00 C ATOM 0 H VAL A 9 7.129 -0.172 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 9 6.206 -2.983 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 9 5.417 -0.951 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.515 -2.537 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.088 -3.324 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.195 -3.610 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.265 -0.726 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.934 -1.736 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.648 -0.144 -3.690 1.00 0.00 H new ATOM 153 N GLU A 10 8.707 -2.885 -4.922 1.00 0.00 N ATOM 154 CA GLU A 10 9.857 -3.175 -5.768 1.00 0.00 C ATOM 155 C GLU A 10 9.486 -4.279 -6.766 1.00 0.00 C ATOM 156 O GLU A 10 8.873 -5.279 -6.391 1.00 0.00 O ATOM 157 CB GLU A 10 11.073 -3.555 -4.919 1.00 0.00 C ATOM 158 CG GLU A 10 11.487 -2.438 -3.943 1.00 0.00 C ATOM 159 CD GLU A 10 12.228 -1.265 -4.581 1.00 0.00 C ATOM 160 OE1 GLU A 10 11.579 -0.456 -5.279 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.433 -1.118 -4.294 1.00 0.00 O ATOM 0 H GLU A 10 8.871 -3.017 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 10 10.132 -2.283 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.849 -4.460 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.911 -3.788 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.593 -2.058 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.120 -2.870 -3.168 1.00 0.00 H new ATOM 168 N GLY A 11 9.825 -4.089 -8.045 1.00 0.00 N ATOM 169 CA GLY A 11 9.554 -5.074 -9.086 1.00 0.00 C ATOM 170 C GLY A 11 8.473 -4.603 -10.055 1.00 0.00 C ATOM 171 O GLY A 11 8.657 -4.716 -11.267 1.00 0.00 O ATOM 0 H GLY A 11 10.294 -3.249 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.471 -5.279 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.244 -6.012 -8.625 1.00 0.00 H new ATOM 256 N THR A 18 -0.120 -0.723 -11.739 1.00 0.00 N ATOM 257 CA THR A 18 -0.495 0.206 -10.683 1.00 0.00 C ATOM 258 C THR A 18 -1.997 0.110 -10.476 1.00 0.00 C ATOM 259 O THR A 18 -2.440 -0.440 -9.478 1.00 0.00 O ATOM 260 CB THR A 18 -0.086 1.623 -11.115 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.556 1.869 -12.433 1.00 0.00 O ATOM 262 CG2 THR A 18 1.433 1.747 -11.146 1.00 0.00 C ATOM 0 HA THR A 18 0.006 -0.032 -9.745 1.00 0.00 H new ATOM 0 HB THR A 18 -0.511 2.333 -10.406 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.577 1.028 -12.935 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.710 2.755 -11.454 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.835 1.548 -10.153 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.842 1.027 -11.854 1.00 0.00 H new ATOM 270 N SER A 19 -2.784 0.581 -11.442 1.00 0.00 N ATOM 271 CA SER A 19 -4.226 0.727 -11.302 1.00 0.00 C ATOM 272 C SER A 19 -4.912 -0.549 -10.861 1.00 0.00 C ATOM 273 O SER A 19 -5.743 -0.536 -9.952 1.00 0.00 O ATOM 274 CB SER A 19 -4.804 1.318 -12.585 1.00 0.00 C ATOM 275 OG SER A 19 -4.309 0.587 -13.693 1.00 0.00 O ATOM 0 H SER A 19 -2.431 0.874 -12.353 1.00 0.00 H new ATOM 0 HA SER A 19 -4.426 1.426 -10.490 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.893 1.275 -12.562 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.528 2.369 -12.673 1.00 0.00 H new ATOM 0 HG SER A 19 -4.677 0.959 -14.521 1.00 0.00 H new ATOM 281 N THR A 20 -4.500 -1.652 -11.465 1.00 0.00 N ATOM 282 CA THR A 20 -4.788 -2.983 -10.993 1.00 0.00 C ATOM 283 C THR A 20 -4.646 -3.101 -9.471 1.00 0.00 C ATOM 284 O THR A 20 -5.609 -3.412 -8.768 1.00 0.00 O ATOM 285 CB THR A 20 -3.838 -3.921 -11.742 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.115 -3.828 -13.124 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.039 -5.346 -11.254 1.00 0.00 C ATOM 0 H THR A 20 -3.942 -1.638 -12.319 1.00 0.00 H new ATOM 0 HA THR A 20 -5.826 -3.249 -11.193 1.00 0.00 H new ATOM 0 HB THR A 20 -2.802 -3.638 -11.559 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.513 -4.422 -13.619 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.362 -6.012 -11.788 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.831 -5.397 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.069 -5.652 -11.438 1.00 0.00 H new ATOM 295 N ILE A 21 -3.433 -2.877 -8.966 1.00 0.00 N ATOM 296 CA ILE A 21 -3.124 -2.933 -7.555 1.00 0.00 C ATOM 297 C ILE A 21 -4.012 -1.935 -6.813 1.00 0.00 C ATOM 298 O ILE A 21 -4.639 -2.318 -5.833 1.00 0.00 O ATOM 299 CB ILE A 21 -1.608 -2.702 -7.361 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.803 -3.983 -7.632 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.222 -2.211 -5.971 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.495 -4.163 -9.112 1.00 0.00 C ATOM 0 H ILE A 21 -2.627 -2.647 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.341 -3.913 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.367 -1.921 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.130 -3.950 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.363 -4.846 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.142 -2.075 -5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.717 -1.261 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.530 -2.946 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.075 -5.081 -9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.428 -4.223 -9.673 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.088 -3.314 -9.468 1.00 0.00 H new ATOM 314 N GLU A 22 -4.099 -0.686 -7.277 1.00 0.00 N ATOM 315 CA GLU A 22 -4.789 0.386 -6.576 1.00 0.00 C ATOM 316 C GLU A 22 -6.245 -0.022 -6.333 1.00 0.00 C ATOM 317 O GLU A 22 -6.710 -0.165 -5.206 1.00 0.00 O ATOM 318 CB GLU A 22 -4.669 1.691 -7.393 1.00 0.00 C ATOM 319 CG GLU A 22 -3.212 2.180 -7.395 1.00 0.00 C ATOM 320 CD GLU A 22 -2.879 3.260 -8.416 1.00 0.00 C ATOM 321 OE1 GLU A 22 -2.910 2.952 -9.623 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.502 4.363 -7.970 1.00 0.00 O ATOM 0 H GLU A 22 -3.685 -0.393 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.333 0.567 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.005 1.521 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.317 2.457 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.974 2.560 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.561 1.324 -7.573 1.00 0.00 H new ATOM 329 N GLY A 23 -6.946 -0.251 -7.433 1.00 0.00 N ATOM 330 CA GLY A 23 -8.312 -0.743 -7.482 1.00 0.00 C ATOM 331 C GLY A 23 -8.514 -1.984 -6.610 1.00 0.00 C ATOM 332 O GLY A 23 -9.412 -2.002 -5.770 1.00 0.00 O ATOM 0 H GLY A 23 -6.557 -0.090 -8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.991 0.044 -7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.574 -0.980 -8.513 1.00 0.00 H new ATOM 336 N LYS A 24 -7.701 -3.028 -6.805 1.00 0.00 N ATOM 337 CA LYS A 24 -7.851 -4.280 -6.067 1.00 0.00 C ATOM 338 C LYS A 24 -7.716 -4.023 -4.563 1.00 0.00 C ATOM 339 O LYS A 24 -8.592 -4.386 -3.778 1.00 0.00 O ATOM 340 CB LYS A 24 -6.843 -5.307 -6.612 1.00 0.00 C ATOM 341 CG LYS A 24 -7.076 -6.758 -6.157 1.00 0.00 C ATOM 342 CD LYS A 24 -6.220 -7.142 -4.939 1.00 0.00 C ATOM 343 CE LYS A 24 -6.359 -8.631 -4.570 1.00 0.00 C ATOM 344 NZ LYS A 24 -5.776 -9.537 -5.584 1.00 0.00 N ATOM 0 H LYS A 24 -6.929 -3.027 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.846 -4.700 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.870 -5.276 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.841 -5.005 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.130 -6.893 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.851 -7.434 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.174 -6.918 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.512 -6.530 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.873 -8.808 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.415 -8.870 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.870 -10.522 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.278 -9.417 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.770 -9.310 -5.715 1.00 0.00 H new ATOM 358 N ILE A 25 -6.630 -3.364 -4.159 1.00 0.00 N ATOM 359 CA ILE A 25 -6.376 -2.951 -2.794 1.00 0.00 C ATOM 360 C ILE A 25 -7.502 -2.056 -2.270 1.00 0.00 C ATOM 361 O ILE A 25 -7.841 -2.126 -1.092 1.00 0.00 O ATOM 362 CB ILE A 25 -4.993 -2.278 -2.755 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.837 -3.241 -3.066 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.776 -1.435 -1.504 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.596 -4.231 -1.947 1.00 0.00 C ATOM 0 H ILE A 25 -5.883 -3.098 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.362 -3.810 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.987 -1.566 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.056 -3.783 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.927 -2.667 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.783 -0.987 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.528 -0.648 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.861 -2.067 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.769 -4.889 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.349 -3.693 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.496 -4.825 -1.787 1.00 0.00 H new ATOM 377 N GLY A 26 -8.134 -1.269 -3.137 1.00 0.00 N ATOM 378 CA GLY A 26 -9.304 -0.471 -2.811 1.00 0.00 C ATOM 379 C GLY A 26 -10.459 -1.270 -2.195 1.00 0.00 C ATOM 380 O GLY A 26 -11.332 -0.666 -1.578 1.00 0.00 O ATOM 0 H GLY A 26 -7.837 -1.169 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.011 0.316 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.659 0.020 -3.717 1.00 0.00 H new ATOM 384 N LYS A 27 -10.498 -2.603 -2.345 1.00 0.00 N ATOM 385 CA LYS A 27 -11.533 -3.422 -1.728 1.00 0.00 C ATOM 386 C LYS A 27 -11.143 -3.821 -0.302 1.00 0.00 C ATOM 387 O LYS A 27 -11.976 -4.363 0.422 1.00 0.00 O ATOM 388 CB LYS A 27 -11.839 -4.645 -2.618 1.00 0.00 C ATOM 389 CG LYS A 27 -13.247 -4.533 -3.216 1.00 0.00 C ATOM 390 CD LYS A 27 -13.506 -5.638 -4.250 1.00 0.00 C ATOM 391 CE LYS A 27 -14.966 -5.575 -4.728 1.00 0.00 C ATOM 392 NZ LYS A 27 -15.222 -6.463 -5.883 1.00 0.00 N ATOM 0 H LYS A 27 -9.818 -3.131 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.448 -2.836 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.102 -4.714 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.758 -5.560 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.988 -4.597 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.368 -3.557 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.831 -5.520 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.300 -6.614 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.626 -5.853 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.212 -4.549 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.219 -6.384 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.613 -6.183 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.014 -7.447 -5.617 1.00 0.00 H new ATOM 406 N LEU A 28 -9.886 -3.611 0.107 1.00 0.00 N ATOM 407 CA LEU A 28 -9.397 -4.136 1.355 1.00 0.00 C ATOM 408 C LEU A 28 -9.981 -3.388 2.551 1.00 0.00 C ATOM 409 O LEU A 28 -10.012 -2.158 2.606 1.00 0.00 O ATOM 410 CB LEU A 28 -7.873 -4.079 1.412 1.00 0.00 C ATOM 411 CG LEU A 28 -7.088 -4.977 0.445 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.417 -6.086 1.246 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.906 -5.669 -0.641 1.00 0.00 C ATOM 0 H LEU A 28 -9.198 -3.076 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.719 -5.176 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.569 -3.048 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.566 -4.330 2.427 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.399 -4.299 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.855 -6.733 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.738 -5.647 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.177 -6.673 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.247 -6.275 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.658 -6.309 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.399 -4.919 -1.259 1.00 0.00 H new ATOM 425 N GLN A 29 -10.387 -4.170 3.546 1.00 0.00 N ATOM 426 CA GLN A 29 -10.938 -3.679 4.796 1.00 0.00 C ATOM 427 C GLN A 29 -9.946 -2.743 5.500 1.00 0.00 C ATOM 428 O GLN A 29 -8.901 -3.182 5.973 1.00 0.00 O ATOM 429 CB GLN A 29 -11.404 -4.867 5.649 1.00 0.00 C ATOM 430 CG GLN A 29 -10.236 -5.765 6.070 1.00 0.00 C ATOM 431 CD GLN A 29 -10.617 -7.239 6.170 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.769 -7.584 6.406 1.00 0.00 O ATOM 433 NE2 GLN A 29 -9.653 -8.131 5.954 1.00 0.00 N ATOM 0 H GLN A 29 -10.339 -5.188 3.500 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.820 -3.066 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.915 -4.497 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.129 -5.455 5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.424 -5.654 5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.857 -5.428 7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.702 -7.817 5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.865 -9.128 5.983 1.00 0.00 H new ATOM 442 N GLY A 30 -10.268 -1.447 5.549 1.00 0.00 N ATOM 443 CA GLY A 30 -9.470 -0.440 6.233 1.00 0.00 C ATOM 444 C GLY A 30 -8.923 0.615 5.287 1.00 0.00 C ATOM 445 O GLY A 30 -8.613 1.718 5.732 1.00 0.00 O ATOM 0 H GLY A 30 -11.105 -1.068 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.079 0.043 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.641 -0.926 6.747 1.00 0.00 H new ATOM 449 N VAL A 31 -8.778 0.294 4.000 1.00 0.00 N ATOM 450 CA VAL A 31 -8.194 1.209 3.050 1.00 0.00 C ATOM 451 C VAL A 31 -9.247 2.231 2.622 1.00 0.00 C ATOM 452 O VAL A 31 -10.387 1.871 2.339 1.00 0.00 O ATOM 453 CB VAL A 31 -7.660 0.371 1.878 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.460 1.197 0.612 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.339 -0.294 2.274 1.00 0.00 C ATOM 0 H VAL A 31 -9.063 -0.601 3.602 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.366 1.776 3.476 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.411 -0.387 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.082 0.556 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.412 1.631 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.743 1.995 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.965 -0.887 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.608 0.473 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.502 -0.942 3.135 1.00 0.00 H new ATOM 465 N GLN A 32 -8.845 3.502 2.562 1.00 0.00 N ATOM 466 CA GLN A 32 -9.652 4.604 2.056 1.00 0.00 C ATOM 467 C GLN A 32 -9.137 5.060 0.691 1.00 0.00 C ATOM 468 O GLN A 32 -9.936 5.367 -0.196 1.00 0.00 O ATOM 469 CB GLN A 32 -9.710 5.722 3.093 1.00 0.00 C ATOM 470 CG GLN A 32 -10.972 5.603 3.962 1.00 0.00 C ATOM 471 CD GLN A 32 -12.100 6.484 3.437 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.649 6.230 2.369 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.444 7.539 4.166 1.00 0.00 N ATOM 0 H GLN A 32 -7.920 3.797 2.875 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.678 4.274 1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.823 5.682 3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.700 6.689 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.302 4.564 3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.736 5.886 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.970 7.725 5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.182 8.164 3.842 1.00 0.00 H new ATOM 482 N ARG A 33 -7.816 5.097 0.478 1.00 0.00 N ATOM 483 CA ARG A 33 -7.296 5.365 -0.854 1.00 0.00 C ATOM 484 C ARG A 33 -5.904 4.767 -1.017 1.00 0.00 C ATOM 485 O ARG A 33 -5.270 4.377 -0.036 1.00 0.00 O ATOM 486 CB ARG A 33 -7.318 6.883 -1.126 1.00 0.00 C ATOM 487 CG ARG A 33 -7.724 7.224 -2.567 1.00 0.00 C ATOM 488 CD ARG A 33 -8.622 8.471 -2.583 1.00 0.00 C ATOM 489 NE ARG A 33 -9.173 8.730 -3.923 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.178 8.041 -4.492 1.00 0.00 C ATOM 491 NH1 ARG A 33 -10.750 7.023 -3.836 1.00 0.00 N ATOM 492 NH2 ARG A 33 -10.602 8.373 -5.717 1.00 0.00 N ATOM 0 H ARG A 33 -7.108 4.948 1.197 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.933 4.886 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.012 7.361 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.331 7.298 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.834 7.400 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.251 6.381 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.439 8.340 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.048 9.337 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.760 9.491 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.423 6.769 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.512 6.501 -4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.163 9.147 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.364 7.852 -6.151 1.00 0.00 H new ATOM 506 N ILE A 34 -5.437 4.719 -2.264 1.00 0.00 N ATOM 507 CA ILE A 34 -4.121 4.233 -2.624 1.00 0.00 C ATOM 508 C ILE A 34 -3.667 4.953 -3.889 1.00 0.00 C ATOM 509 O ILE A 34 -4.504 5.293 -4.726 1.00 0.00 O ATOM 510 CB ILE A 34 -4.122 2.698 -2.754 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.715 2.224 -3.156 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.205 2.182 -3.721 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.479 0.732 -2.918 1.00 0.00 C ATOM 0 H ILE A 34 -5.984 5.027 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.399 4.456 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.378 2.272 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.554 2.445 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.975 2.794 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.158 1.094 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.188 2.486 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.036 2.600 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.466 0.470 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.607 0.508 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.195 0.153 -3.501 1.00 0.00 H new ATOM 525 N LYS A 35 -2.365 5.235 -3.980 1.00 0.00 N ATOM 526 CA LYS A 35 -1.671 5.679 -5.177 1.00 0.00 C ATOM 527 C LYS A 35 -0.446 4.772 -5.332 1.00 0.00 C ATOM 528 O LYS A 35 0.288 4.624 -4.353 1.00 0.00 O ATOM 529 CB LYS A 35 -1.212 7.137 -5.035 1.00 0.00 C ATOM 530 CG LYS A 35 -2.341 8.169 -5.159 1.00 0.00 C ATOM 531 CD LYS A 35 -3.237 8.249 -3.912 1.00 0.00 C ATOM 532 CE LYS A 35 -3.420 9.708 -3.470 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.355 9.832 -2.333 1.00 0.00 N ATOM 0 H LYS A 35 -1.741 5.154 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.331 5.624 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.727 7.260 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.460 7.345 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.906 9.151 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.956 7.921 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.209 7.804 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.794 7.671 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.453 10.125 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.791 10.297 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.448 10.833 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.286 9.458 -2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.990 9.292 -1.523 1.00 0.00 H new ATOM 547 N VAL A 36 -0.209 4.177 -6.507 1.00 0.00 N ATOM 548 CA VAL A 36 0.987 3.369 -6.774 1.00 0.00 C ATOM 549 C VAL A 36 1.790 3.947 -7.947 1.00 0.00 C ATOM 550 O VAL A 36 1.254 4.104 -9.042 1.00 0.00 O ATOM 551 CB VAL A 36 0.610 1.886 -6.982 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.832 0.987 -7.226 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.111 1.343 -5.743 1.00 0.00 C ATOM 0 H VAL A 36 -0.844 4.243 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 36 1.639 3.409 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.030 1.862 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.504 -0.043 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.359 1.324 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.501 1.042 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.371 0.297 -5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.544 1.426 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.019 1.920 -5.568 1.00 0.00 H new ATOM 563 N SER A 37 3.076 4.262 -7.727 1.00 0.00 N ATOM 564 CA SER A 37 3.981 4.702 -8.784 1.00 0.00 C ATOM 565 C SER A 37 4.516 3.494 -9.552 1.00 0.00 C ATOM 566 O SER A 37 4.562 2.388 -9.020 1.00 0.00 O ATOM 567 CB SER A 37 5.158 5.483 -8.182 1.00 0.00 C ATOM 568 OG SER A 37 5.974 6.085 -9.176 1.00 0.00 O ATOM 0 H SER A 37 3.512 4.216 -6.806 1.00 0.00 H new ATOM 0 HA SER A 37 3.430 5.350 -9.466 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.775 6.255 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.765 4.810 -7.576 1.00 0.00 H new ATOM 0 HG SER A 37 6.373 6.906 -8.819 1.00 0.00 H new ATOM 574 N LEU A 38 4.986 3.737 -10.777 1.00 0.00 N ATOM 575 CA LEU A 38 5.833 2.815 -11.517 1.00 0.00 C ATOM 576 C LEU A 38 7.276 3.238 -11.291 1.00 0.00 C ATOM 577 O LEU A 38 8.021 2.545 -10.607 1.00 0.00 O ATOM 578 CB LEU A 38 5.448 2.835 -13.005 1.00 0.00 C ATOM 579 CG LEU A 38 4.391 1.763 -13.266 1.00 0.00 C ATOM 580 CD1 LEU A 38 3.434 2.230 -14.355 1.00 0.00 C ATOM 581 CD2 LEU A 38 5.062 0.443 -13.654 1.00 0.00 C ATOM 0 H LEU A 38 4.782 4.597 -11.287 1.00 0.00 H new ATOM 0 HA LEU A 38 5.704 1.789 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.063 3.817 -13.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.327 2.653 -13.623 1.00 0.00 H new ATOM 0 HG LEU A 38 3.817 1.596 -12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.684 1.460 -14.535 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.942 3.149 -14.037 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.991 2.416 -15.274 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.299 -0.313 -13.837 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.654 0.588 -14.558 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.712 0.113 -12.843 1.00 0.00 H new ATOM 593 N ASP A 39 7.645 4.401 -11.828 1.00 0.00 N ATOM 594 CA ASP A 39 8.999 4.932 -11.881 1.00 0.00 C ATOM 595 C ASP A 39 9.684 4.788 -10.535 1.00 0.00 C ATOM 596 O ASP A 39 10.777 4.235 -10.417 1.00 0.00 O ATOM 597 CB ASP A 39 8.957 6.428 -12.235 1.00 0.00 C ATOM 598 CG ASP A 39 8.057 6.744 -13.425 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.847 6.438 -13.298 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.586 7.272 -14.424 1.00 0.00 O ATOM 0 H ASP A 39 6.967 5.029 -12.260 1.00 0.00 H new ATOM 0 HA ASP A 39 9.551 4.373 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.610 6.989 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.969 6.771 -12.453 1.00 0.00 H new ATOM 605 N ASN A 40 9.022 5.325 -9.509 1.00 0.00 N ATOM 606 CA ASN A 40 9.624 5.439 -8.197 1.00 0.00 C ATOM 607 C ASN A 40 9.601 4.077 -7.480 1.00 0.00 C ATOM 608 O ASN A 40 10.301 3.859 -6.485 1.00 0.00 O ATOM 609 CB ASN A 40 8.888 6.528 -7.400 1.00 0.00 C ATOM 610 CG ASN A 40 9.799 7.308 -6.452 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.994 7.450 -6.683 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.238 7.870 -5.385 1.00 0.00 N ATOM 0 H ASN A 40 8.070 5.685 -9.570 1.00 0.00 H new ATOM 0 HA ASN A 40 10.670 5.732 -8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.420 7.224 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.086 6.066 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.804 8.428 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.242 7.743 -5.206 1.00 0.00 H new ATOM 619 N GLN A 41 8.734 3.168 -7.958 1.00 0.00 N ATOM 620 CA GLN A 41 8.354 1.897 -7.338 1.00 0.00 C ATOM 621 C GLN A 41 7.838 2.103 -5.915 1.00 0.00 C ATOM 622 O GLN A 41 7.818 1.183 -5.103 1.00 0.00 O ATOM 623 CB GLN A 41 9.496 0.879 -7.383 1.00 0.00 C ATOM 624 CG GLN A 41 10.354 1.071 -8.625 1.00 0.00 C ATOM 625 CD GLN A 41 11.415 -0.012 -8.805 1.00 0.00 C ATOM 626 OE1 GLN A 41 11.189 -1.191 -8.534 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.577 0.378 -9.327 1.00 0.00 N ATOM 0 H GLN A 41 8.252 3.315 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 41 7.535 1.483 -7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.114 0.982 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.087 -0.131 -7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.709 1.086 -9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.844 2.043 -8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.735 1.363 -9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.309 -0.308 -9.513 1.00 0.00 H new ATOM 636 N GLU A 42 7.451 3.340 -5.620 1.00 0.00 N ATOM 637 CA GLU A 42 6.943 3.784 -4.330 1.00 0.00 C ATOM 638 C GLU A 42 5.418 3.869 -4.428 1.00 0.00 C ATOM 639 O GLU A 42 4.871 4.097 -5.510 1.00 0.00 O ATOM 640 CB GLU A 42 7.570 5.145 -3.979 1.00 0.00 C ATOM 641 CG GLU A 42 7.490 5.493 -2.480 1.00 0.00 C ATOM 642 CD GLU A 42 8.789 5.265 -1.713 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.573 4.383 -2.116 1.00 0.00 O ATOM 644 OE2 GLU A 42 8.976 6.002 -0.715 1.00 0.00 O ATOM 0 H GLU A 42 7.485 4.094 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 42 7.207 3.086 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.615 5.145 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.069 5.925 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.199 6.538 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.701 4.896 -2.022 1.00 0.00 H new ATOM 651 N ALA A 43 4.718 3.694 -3.311 1.00 0.00 N ATOM 652 CA ALA A 43 3.272 3.776 -3.276 1.00 0.00 C ATOM 653 C ALA A 43 2.817 4.314 -1.927 1.00 0.00 C ATOM 654 O ALA A 43 3.511 4.148 -0.922 1.00 0.00 O ATOM 655 CB ALA A 43 2.696 2.395 -3.544 1.00 0.00 C ATOM 0 H ALA A 43 5.144 3.491 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 43 2.913 4.461 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.607 2.444 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.022 2.049 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.045 1.701 -2.780 1.00 0.00 H new ATOM 661 N THR A 44 1.655 4.964 -1.919 1.00 0.00 N ATOM 662 CA THR A 44 1.123 5.695 -0.796 1.00 0.00 C ATOM 663 C THR A 44 -0.311 5.236 -0.595 1.00 0.00 C ATOM 664 O THR A 44 -1.147 5.436 -1.476 1.00 0.00 O ATOM 665 CB THR A 44 1.239 7.200 -1.083 1.00 0.00 C ATOM 666 OG1 THR A 44 2.569 7.598 -0.825 1.00 0.00 O ATOM 667 CG2 THR A 44 0.305 8.041 -0.213 1.00 0.00 C ATOM 0 H THR A 44 1.042 4.990 -2.734 1.00 0.00 H new ATOM 0 HA THR A 44 1.675 5.507 0.125 1.00 0.00 H new ATOM 0 HB THR A 44 0.956 7.363 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.664 8.557 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.430 9.096 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.728 7.745 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.546 7.883 0.838 1.00 0.00 H new ATOM 675 N ILE A 45 -0.582 4.607 0.549 1.00 0.00 N ATOM 676 CA ILE A 45 -1.906 4.150 0.931 1.00 0.00 C ATOM 677 C ILE A 45 -2.443 5.107 1.997 1.00 0.00 C ATOM 678 O ILE A 45 -1.651 5.767 2.669 1.00 0.00 O ATOM 679 CB ILE A 45 -1.829 2.713 1.457 1.00 0.00 C ATOM 680 CG1 ILE A 45 -0.803 1.920 0.638 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.214 2.045 1.422 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.782 0.477 1.088 1.00 0.00 C ATOM 0 H ILE A 45 0.133 4.400 1.247 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.580 4.147 0.074 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.503 2.729 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.052 1.975 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.187 2.360 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.136 1.026 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.907 2.611 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.582 2.025 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.050 -0.077 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.511 0.429 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.769 0.037 0.946 1.00 0.00 H new ATOM 694 N VAL A 46 -3.763 5.173 2.178 1.00 0.00 N ATOM 695 CA VAL A 46 -4.379 5.839 3.314 1.00 0.00 C ATOM 696 C VAL A 46 -5.355 4.871 3.995 1.00 0.00 C ATOM 697 O VAL A 46 -6.279 4.379 3.344 1.00 0.00 O ATOM 698 CB VAL A 46 -4.905 7.221 2.918 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.150 7.129 2.080 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.157 8.110 4.134 1.00 0.00 C ATOM 0 H VAL A 46 -4.436 4.760 1.532 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.654 6.082 4.091 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.121 7.682 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.489 8.132 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.934 6.572 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.930 6.616 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.529 9.080 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.896 7.639 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.226 8.246 4.684 1.00 0.00 H new ATOM 710 N TYR A 47 -5.080 4.511 5.257 1.00 0.00 N ATOM 711 CA TYR A 47 -5.809 3.505 6.030 1.00 0.00 C ATOM 712 C TYR A 47 -5.567 3.733 7.525 1.00 0.00 C ATOM 713 O TYR A 47 -4.818 4.638 7.877 1.00 0.00 O ATOM 714 CB TYR A 47 -5.374 2.096 5.614 1.00 0.00 C ATOM 715 CG TYR A 47 -3.974 1.705 6.033 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.754 1.104 7.286 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.917 1.808 5.117 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.526 0.492 7.569 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.694 1.177 5.389 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.517 0.482 6.596 1.00 0.00 C ATOM 721 OH TYR A 47 -0.371 -0.215 6.793 1.00 0.00 O ATOM 0 H TYR A 47 -4.314 4.931 5.784 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.876 3.599 5.830 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.076 1.377 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.447 2.016 4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.535 1.115 8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.044 2.372 4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.358 0.031 8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.889 1.226 4.670 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.587 -1.121 7.098 1.00 0.00 H new ATOM 731 N GLN A 48 -6.166 2.935 8.417 1.00 0.00 N ATOM 732 CA GLN A 48 -5.891 2.991 9.844 1.00 0.00 C ATOM 733 C GLN A 48 -5.798 1.612 10.514 1.00 0.00 C ATOM 734 O GLN A 48 -6.485 0.681 10.089 1.00 0.00 O ATOM 735 CB GLN A 48 -6.946 3.859 10.518 1.00 0.00 C ATOM 736 CG GLN A 48 -8.310 3.693 9.868 1.00 0.00 C ATOM 737 CD GLN A 48 -9.424 4.279 10.727 1.00 0.00 C ATOM 738 OE1 GLN A 48 -10.148 3.551 11.396 1.00 0.00 O ATOM 739 NE2 GLN A 48 -9.569 5.602 10.727 1.00 0.00 N ATOM 0 H GLN A 48 -6.858 2.231 8.160 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.902 3.432 9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.012 3.597 11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.643 4.905 10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.309 4.180 8.893 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.503 2.634 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.951 6.183 10.160 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.298 6.035 11.294 1.00 0.00 H new ATOM 748 N PRO A 49 -4.980 1.488 11.582 1.00 0.00 N ATOM 749 CA PRO A 49 -4.860 0.281 12.385 1.00 0.00 C ATOM 750 C PRO A 49 -6.136 0.069 13.202 1.00 0.00 C ATOM 751 O PRO A 49 -6.179 0.320 14.405 1.00 0.00 O ATOM 752 CB PRO A 49 -3.635 0.497 13.280 1.00 0.00 C ATOM 753 CG PRO A 49 -3.604 2.013 13.467 1.00 0.00 C ATOM 754 CD PRO A 49 -4.114 2.531 12.122 1.00 0.00 C ATOM 0 HA PRO A 49 -4.734 -0.614 11.776 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.735 -0.024 14.232 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.723 0.130 12.810 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.242 2.332 14.291 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.598 2.373 13.684 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.662 3.465 12.248 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.285 2.737 11.445 1.00 0.00 H new ATOM 762 N HIS A 50 -7.186 -0.384 12.524 1.00 0.00 N ATOM 763 CA HIS A 50 -8.430 -0.851 13.116 1.00 0.00 C ATOM 764 C HIS A 50 -8.872 -2.082 12.336 1.00 0.00 C ATOM 765 O HIS A 50 -9.057 -3.154 12.904 1.00 0.00 O ATOM 766 CB HIS A 50 -9.500 0.253 13.064 1.00 0.00 C ATOM 767 CG HIS A 50 -9.627 1.029 14.351 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.592 1.474 15.141 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.797 1.319 15.003 1.00 0.00 C ATOM 770 CE1 HIS A 50 -9.130 2.033 16.237 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.472 1.963 16.199 1.00 0.00 N ATOM 0 H HIS A 50 -7.191 -0.437 11.505 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.286 -1.105 14.166 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.260 0.943 12.255 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.463 -0.197 12.824 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.597 1.394 14.932 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.793 1.090 14.654 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.562 2.478 17.040 1.00 0.00 H new ATOM 779 N LEU A 51 -9.035 -1.912 11.024 1.00 0.00 N ATOM 780 CA LEU A 51 -9.508 -2.965 10.144 1.00 0.00 C ATOM 781 C LEU A 51 -8.345 -3.787 9.578 1.00 0.00 C ATOM 782 O LEU A 51 -8.570 -4.927 9.184 1.00 0.00 O ATOM 783 CB LEU A 51 -10.368 -2.345 9.037 1.00 0.00 C ATOM 784 CG LEU A 51 -11.716 -1.823 9.567 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.288 -0.750 8.635 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.738 -2.959 9.705 1.00 0.00 C ATOM 0 H LEU A 51 -8.840 -1.033 10.545 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.123 -3.662 10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.821 -1.525 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.549 -3.089 8.261 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.529 -1.391 10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.240 -0.396 9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.590 0.084 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.441 -1.174 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.679 -2.558 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.903 -3.420 8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.358 -3.707 10.401 1.00 0.00 H new ATOM 798 N ILE A 52 -7.122 -3.237 9.526 1.00 0.00 N ATOM 799 CA ILE A 52 -5.974 -3.905 8.946 1.00 0.00 C ATOM 800 C ILE A 52 -4.861 -4.040 9.981 1.00 0.00 C ATOM 801 O ILE A 52 -4.696 -3.162 10.827 1.00 0.00 O ATOM 802 CB ILE A 52 -5.554 -3.147 7.694 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.549 -3.935 6.860 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.958 -1.798 8.035 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.241 -5.120 6.202 1.00 0.00 C ATOM 0 H ILE A 52 -6.913 -2.308 9.892 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.223 -4.923 8.646 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.462 -3.003 7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.110 -3.290 6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.733 -4.284 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.670 -1.285 7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.695 -1.199 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.079 -1.937 8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.518 -5.679 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.659 -5.770 6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.042 -4.761 5.556 1.00 0.00 H new ATOM 817 N SER A 53 -4.053 -5.100 9.883 1.00 0.00 N ATOM 818 CA SER A 53 -3.040 -5.426 10.882 1.00 0.00 C ATOM 819 C SER A 53 -1.727 -4.658 10.716 1.00 0.00 C ATOM 820 O SER A 53 -0.673 -5.126 11.138 1.00 0.00 O ATOM 821 CB SER A 53 -2.798 -6.925 10.903 1.00 0.00 C ATOM 822 OG SER A 53 -4.016 -7.636 10.993 1.00 0.00 O ATOM 0 H SER A 53 -4.086 -5.757 9.103 1.00 0.00 H new ATOM 0 HA SER A 53 -3.439 -5.103 11.843 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.265 -7.223 10.000 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.160 -7.182 11.749 1.00 0.00 H new ATOM 0 HG SER A 53 -4.476 -7.608 10.128 1.00 0.00 H new ATOM 828 N VAL A 54 -1.797 -3.495 10.072 1.00 0.00 N ATOM 829 CA VAL A 54 -0.734 -2.552 9.784 1.00 0.00 C ATOM 830 C VAL A 54 0.181 -3.144 8.723 1.00 0.00 C ATOM 831 O VAL A 54 0.215 -2.683 7.587 1.00 0.00 O ATOM 832 CB VAL A 54 -0.069 -2.028 11.081 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.448 -2.217 11.170 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.345 -0.528 11.214 1.00 0.00 C ATOM 0 H VAL A 54 -2.689 -3.163 9.706 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.123 -1.635 9.342 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.509 -2.626 11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.810 -1.816 12.117 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.686 -3.279 11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.929 -1.691 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.120 -0.152 12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.069 -0.004 10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.421 -0.359 11.259 1.00 0.00 H new ATOM 844 N GLU A 55 0.858 -4.219 9.084 1.00 0.00 N ATOM 845 CA GLU A 55 1.812 -4.902 8.245 1.00 0.00 C ATOM 846 C GLU A 55 1.075 -5.576 7.093 1.00 0.00 C ATOM 847 O GLU A 55 1.548 -5.569 5.953 1.00 0.00 O ATOM 848 CB GLU A 55 2.563 -5.894 9.121 1.00 0.00 C ATOM 849 CG GLU A 55 3.799 -6.474 8.429 1.00 0.00 C ATOM 850 CD GLU A 55 4.886 -5.451 8.132 1.00 0.00 C ATOM 851 OE1 GLU A 55 5.055 -4.524 8.946 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.556 -5.650 7.089 1.00 0.00 O ATOM 0 H GLU A 55 0.751 -4.651 10.002 1.00 0.00 H new ATOM 0 HA GLU A 55 2.533 -4.215 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.866 -5.400 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.892 -6.707 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.218 -7.260 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.492 -6.943 7.494 1.00 0.00 H new ATOM 859 N GLU A 56 -0.097 -6.152 7.410 1.00 0.00 N ATOM 860 CA GLU A 56 -0.916 -6.872 6.450 1.00 0.00 C ATOM 861 C GLU A 56 -0.980 -6.142 5.117 1.00 0.00 C ATOM 862 O GLU A 56 -0.708 -6.736 4.079 1.00 0.00 O ATOM 863 CB GLU A 56 -2.344 -6.996 6.967 1.00 0.00 C ATOM 864 CG GLU A 56 -2.744 -8.412 7.360 1.00 0.00 C ATOM 865 CD GLU A 56 -4.256 -8.408 7.410 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.833 -8.622 6.320 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.770 -8.025 8.484 1.00 0.00 O ATOM 0 H GLU A 56 -0.496 -6.125 8.349 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.460 -7.853 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.464 -6.343 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.029 -6.637 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.378 -9.138 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.320 -8.685 8.327 1.00 0.00 H new ATOM 874 N MET A 57 -1.376 -4.867 5.159 1.00 0.00 N ATOM 875 CA MET A 57 -1.626 -4.070 3.983 1.00 0.00 C ATOM 876 C MET A 57 -0.513 -4.257 2.948 1.00 0.00 C ATOM 877 O MET A 57 -0.766 -4.577 1.790 1.00 0.00 O ATOM 878 CB MET A 57 -1.797 -2.611 4.417 1.00 0.00 C ATOM 879 CG MET A 57 -3.090 -2.014 3.872 1.00 0.00 C ATOM 880 SD MET A 57 -3.246 -1.818 2.083 1.00 0.00 S ATOM 881 CE MET A 57 -4.083 -3.366 1.673 1.00 0.00 C ATOM 0 H MET A 57 -1.531 -4.363 6.032 1.00 0.00 H new ATOM 0 HA MET A 57 -2.543 -4.393 3.491 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.798 -2.552 5.505 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.948 -2.024 4.067 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.916 -2.639 4.213 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.223 -1.033 4.328 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.404 -4.010 1.114 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.387 -3.869 2.591 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.964 -3.154 1.067 1.00 0.00 H new ATOM 891 N LYS A 58 0.733 -4.126 3.398 1.00 0.00 N ATOM 892 CA LYS A 58 1.910 -4.324 2.574 1.00 0.00 C ATOM 893 C LYS A 58 2.101 -5.806 2.215 1.00 0.00 C ATOM 894 O LYS A 58 2.415 -6.125 1.068 1.00 0.00 O ATOM 895 CB LYS A 58 3.098 -3.709 3.320 1.00 0.00 C ATOM 896 CG LYS A 58 4.437 -3.900 2.594 1.00 0.00 C ATOM 897 CD LYS A 58 5.451 -4.718 3.426 1.00 0.00 C ATOM 898 CE LYS A 58 5.913 -5.961 2.662 1.00 0.00 C ATOM 899 NZ LYS A 58 7.287 -6.413 2.973 1.00 0.00 N ATOM 0 H LYS A 58 0.950 -3.875 4.362 1.00 0.00 H new ATOM 0 HA LYS A 58 1.806 -3.824 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.918 -2.643 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.164 -4.154 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.262 -4.403 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.864 -2.924 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.312 -4.096 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.995 -5.016 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.222 -6.777 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.847 -5.757 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.925 -6.144 2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.608 -5.966 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.295 -7.447 3.086 1.00 0.00 H new ATOM 913 N LYS A 59 1.918 -6.731 3.162 1.00 0.00 N ATOM 914 CA LYS A 59 2.015 -8.154 2.851 1.00 0.00 C ATOM 915 C LYS A 59 1.060 -8.580 1.727 1.00 0.00 C ATOM 916 O LYS A 59 1.395 -9.443 0.917 1.00 0.00 O ATOM 917 CB LYS A 59 1.810 -9.024 4.084 1.00 0.00 C ATOM 918 CG LYS A 59 2.722 -8.712 5.273 1.00 0.00 C ATOM 919 CD LYS A 59 4.192 -8.335 4.980 1.00 0.00 C ATOM 920 CE LYS A 59 5.050 -8.867 6.149 1.00 0.00 C ATOM 921 NZ LYS A 59 6.269 -8.076 6.384 1.00 0.00 N ATOM 0 H LYS A 59 1.705 -6.521 4.137 1.00 0.00 H new ATOM 0 HA LYS A 59 3.032 -8.310 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.774 -8.925 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.957 -10.066 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.272 -7.892 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.725 -9.582 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.519 -8.771 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.299 -7.254 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.449 -8.874 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.330 -9.900 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.654 -8.303 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.976 -8.303 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.039 -7.063 6.340 1.00 0.00 H new ATOM 935 N GLN A 60 -0.129 -7.977 1.659 1.00 0.00 N ATOM 936 CA GLN A 60 -1.132 -8.301 0.656 1.00 0.00 C ATOM 937 C GLN A 60 -0.556 -7.987 -0.722 1.00 0.00 C ATOM 938 O GLN A 60 -0.693 -8.762 -1.666 1.00 0.00 O ATOM 939 CB GLN A 60 -2.397 -7.489 0.929 1.00 0.00 C ATOM 940 CG GLN A 60 -2.951 -7.726 2.347 1.00 0.00 C ATOM 941 CD GLN A 60 -4.274 -8.500 2.410 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.790 -8.942 1.388 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.865 -8.694 3.591 1.00 0.00 N ATOM 0 H GLN A 60 -0.420 -7.245 2.307 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.395 -9.358 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.180 -6.429 0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.159 -7.751 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.203 -8.268 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.090 -6.760 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.438 -8.327 4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.744 -9.209 3.643 1.00 0.00 H new ATOM 952 N ILE A 61 0.126 -6.848 -0.813 1.00 0.00 N ATOM 953 CA ILE A 61 0.916 -6.526 -1.998 1.00 0.00 C ATOM 954 C ILE A 61 2.006 -7.574 -2.249 1.00 0.00 C ATOM 955 O ILE A 61 2.121 -8.026 -3.385 1.00 0.00 O ATOM 956 CB ILE A 61 1.445 -5.084 -1.986 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.327 -4.080 -2.316 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.511 -4.865 -3.068 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.392 -3.608 -1.061 1.00 0.00 C ATOM 0 H ILE A 61 0.148 -6.135 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 61 0.244 -6.571 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 61 1.851 -4.929 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.751 -3.222 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.390 -4.543 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.862 -3.834 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.349 -5.540 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.080 -5.065 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.175 -2.900 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.838 -4.464 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.320 -3.122 -0.395 1.00 0.00 H new ATOM 971 N GLU A 62 2.792 -7.984 -1.241 1.00 0.00 N ATOM 972 CA GLU A 62 3.838 -8.991 -1.458 1.00 0.00 C ATOM 973 C GLU A 62 3.235 -10.196 -2.172 1.00 0.00 C ATOM 974 O GLU A 62 3.735 -10.660 -3.199 1.00 0.00 O ATOM 975 CB GLU A 62 4.498 -9.454 -0.160 1.00 0.00 C ATOM 976 CG GLU A 62 5.179 -8.256 0.485 1.00 0.00 C ATOM 977 CD GLU A 62 6.501 -8.628 1.120 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.498 -8.549 0.378 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.528 -8.817 2.359 1.00 0.00 O ATOM 0 H GLU A 62 2.724 -7.639 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 62 4.613 -8.524 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.753 -9.876 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.225 -10.240 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.343 -7.484 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.521 -7.829 1.242 1.00 0.00 H new ATOM 986 N ALA A 63 2.110 -10.647 -1.612 1.00 0.00 N ATOM 987 CA ALA A 63 1.331 -11.787 -2.051 1.00 0.00 C ATOM 988 C ALA A 63 0.803 -11.668 -3.486 1.00 0.00 C ATOM 989 O ALA A 63 0.471 -12.689 -4.083 1.00 0.00 O ATOM 990 CB ALA A 63 0.192 -12.000 -1.055 1.00 0.00 C ATOM 0 H ALA A 63 1.703 -10.194 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 63 1.991 -12.654 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.409 -12.855 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.606 -12.189 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.435 -11.109 -1.023 1.00 0.00 H new ATOM 996 N MET A 64 0.737 -10.463 -4.071 1.00 0.00 N ATOM 997 CA MET A 64 0.462 -10.325 -5.501 1.00 0.00 C ATOM 998 C MET A 64 1.563 -11.013 -6.320 1.00 0.00 C ATOM 999 O MET A 64 1.306 -11.484 -7.425 1.00 0.00 O ATOM 1000 CB MET A 64 0.337 -8.848 -5.900 1.00 0.00 C ATOM 1001 CG MET A 64 -0.826 -8.133 -5.197 1.00 0.00 C ATOM 1002 SD MET A 64 -2.507 -8.645 -5.653 1.00 0.00 S ATOM 1003 CE MET A 64 -2.594 -8.063 -7.363 1.00 0.00 C ATOM 0 H MET A 64 0.870 -9.580 -3.578 1.00 0.00 H new ATOM 0 HA MET A 64 -0.491 -10.810 -5.714 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.268 -8.333 -5.664 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.199 -8.779 -6.979 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.709 -8.273 -4.122 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.733 -7.064 -5.391 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.612 -8.176 -7.734 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.307 -7.012 -7.405 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.915 -8.649 -7.982 1.00 0.00 H new ATOM 1013 N GLY A 65 2.779 -11.070 -5.765 1.00 0.00 N ATOM 1014 CA GLY A 65 3.895 -11.856 -6.274 1.00 0.00 C ATOM 1015 C GLY A 65 5.115 -10.982 -6.554 1.00 0.00 C ATOM 1016 O GLY A 65 5.813 -11.205 -7.541 1.00 0.00 O ATOM 0 H GLY A 65 3.015 -10.550 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.158 -12.628 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.594 -12.366 -7.189 1.00 0.00 H new ATOM 1020 N PHE A 66 5.375 -9.996 -5.689 1.00 0.00 N ATOM 1021 CA PHE A 66 6.426 -8.999 -5.880 1.00 0.00 C ATOM 1022 C PHE A 66 6.941 -8.587 -4.507 1.00 0.00 C ATOM 1023 O PHE A 66 6.126 -8.135 -3.714 1.00 0.00 O ATOM 1024 CB PHE A 66 5.841 -7.768 -6.584 1.00 0.00 C ATOM 1025 CG PHE A 66 5.463 -8.037 -8.023 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.473 -8.131 -8.995 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.140 -8.393 -8.348 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.171 -8.612 -10.279 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.839 -8.876 -9.632 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.859 -9.003 -10.594 1.00 0.00 C ATOM 0 H PHE A 66 4.851 -9.869 -4.823 1.00 0.00 H new ATOM 0 HA PHE A 66 7.232 -9.412 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.960 -7.429 -6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.568 -6.957 -6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.483 -7.833 -8.754 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.357 -8.295 -7.610 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.948 -8.681 -11.026 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.825 -9.150 -9.881 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.633 -9.400 -11.573 1.00 0.00 H new ATOM 1040 N PRO A 67 8.238 -8.726 -4.191 1.00 0.00 N ATOM 1041 CA PRO A 67 8.743 -8.432 -2.859 1.00 0.00 C ATOM 1042 C PRO A 67 8.550 -6.946 -2.558 1.00 0.00 C ATOM 1043 O PRO A 67 9.196 -6.109 -3.185 1.00 0.00 O ATOM 1044 CB PRO A 67 10.222 -8.837 -2.891 1.00 0.00 C ATOM 1045 CG PRO A 67 10.604 -8.685 -4.364 1.00 0.00 C ATOM 1046 CD PRO A 67 9.320 -9.068 -5.100 1.00 0.00 C ATOM 0 HA PRO A 67 8.219 -8.972 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.828 -8.195 -2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.365 -9.860 -2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.913 -7.666 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.433 -9.339 -4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.229 -8.525 -6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.308 -10.131 -5.343 1.00 0.00 H new ATOM 1054 N ALA A 68 7.655 -6.611 -1.625 1.00 0.00 N ATOM 1055 CA ALA A 68 7.331 -5.228 -1.324 1.00 0.00 C ATOM 1056 C ALA A 68 7.901 -4.876 0.046 1.00 0.00 C ATOM 1057 O ALA A 68 8.556 -5.687 0.705 1.00 0.00 O ATOM 1058 CB ALA A 68 5.816 -5.035 -1.440 1.00 0.00 C ATOM 0 H ALA A 68 7.142 -7.291 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 68 7.785 -4.539 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.563 -3.999 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.495 -5.276 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.310 -5.693 -0.734 1.00 0.00 H new ATOM 1064 N PHE A 69 7.643 -3.668 0.532 1.00 0.00 N ATOM 1065 CA PHE A 69 8.231 -3.194 1.771 1.00 0.00 C ATOM 1066 C PHE A 69 7.442 -2.031 2.343 1.00 0.00 C ATOM 1067 O PHE A 69 6.810 -1.302 1.592 1.00 0.00 O ATOM 1068 CB PHE A 69 9.723 -2.867 1.617 1.00 0.00 C ATOM 1069 CG PHE A 69 10.500 -3.278 2.850 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.531 -2.434 3.976 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.950 -4.607 2.962 1.00 0.00 C ATOM 1072 CE1 PHE A 69 10.945 -2.936 5.220 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.415 -5.093 4.195 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.404 -4.260 5.328 1.00 0.00 C ATOM 0 H PHE A 69 7.024 -2.996 0.079 1.00 0.00 H new ATOM 0 HA PHE A 69 8.173 -4.009 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.123 -3.381 0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.848 -1.798 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.236 -1.399 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.938 -5.255 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.911 -2.304 6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.781 -6.106 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.748 -4.637 6.280 1.00 0.00 H new ATOM 1084 N VAL A 70 7.437 -1.892 3.668 1.00 0.00 N ATOM 1085 CA VAL A 70 6.659 -0.897 4.384 1.00 0.00 C ATOM 1086 C VAL A 70 7.629 -0.002 5.144 1.00 0.00 C ATOM 1087 O VAL A 70 8.525 -0.500 5.821 1.00 0.00 O ATOM 1088 CB VAL A 70 5.566 -1.548 5.234 1.00 0.00 C ATOM 1089 CG1 VAL A 70 6.170 -2.318 6.386 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.562 -0.520 5.754 1.00 0.00 C ATOM 0 H VAL A 70 7.991 -2.487 4.284 1.00 0.00 H new ATOM 0 HA VAL A 70 6.100 -0.259 3.699 1.00 0.00 H new ATOM 0 HB VAL A 70 5.027 -2.242 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.375 -2.772 6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.825 -3.098 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.746 -1.639 7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.803 -1.023 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.080 0.216 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.086 -0.018 4.912 1.00 0.00 H new