USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 HIS : no HD1:sc= 0 K(o=0,f=-0.67) USER MOD Set 2.1: A 1 SER N :NH3+ -123:sc= -0.144 (180deg=-2.86!) USER MOD Set 2.2: A 4 LYS NZ :NH3+ -155:sc= -0.131 (180deg=-0.776) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -143:sc= -0.0827 (180deg=-1.62!) USER MOD Single : A 11 TYR OH : rot -34:sc= 0.252 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.426 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -3.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= -0.0598 (180deg=-0.722) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0561) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc=-0.00626 X(o=-0.0063,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -160:sc= -1.66! USER MOD Single : A 63 SER OG : rot -120:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.717 6.089 13.665 1.00 0.00 N ATOM 2 CA SER A 1 6.917 7.355 12.982 1.00 0.00 C ATOM 3 C SER A 1 7.654 7.126 11.660 1.00 0.00 C ATOM 4 O SER A 1 7.065 7.252 10.587 1.00 0.00 O ATOM 5 CB SER A 1 7.696 8.338 13.859 1.00 0.00 C ATOM 6 OG SER A 1 8.195 9.442 13.110 1.00 0.00 O ATOM 0 H1 SER A 1 5.702 5.947 13.842 1.00 0.00 H new ATOM 0 H2 SER A 1 7.077 5.314 13.072 1.00 0.00 H new ATOM 0 H3 SER A 1 7.229 6.098 14.570 1.00 0.00 H new ATOM 0 HA SER A 1 5.939 7.790 12.776 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.049 8.704 14.656 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.527 7.818 14.336 1.00 0.00 H new ATOM 0 HG SER A 1 8.684 10.047 13.706 1.00 0.00 H new ATOM 11 N ASP A 2 8.930 6.793 11.780 1.00 0.00 N ATOM 12 CA ASP A 2 9.752 6.544 10.609 1.00 0.00 C ATOM 13 C ASP A 2 9.258 5.280 9.902 1.00 0.00 C ATOM 14 O ASP A 2 9.285 5.200 8.675 1.00 0.00 O ATOM 15 CB ASP A 2 11.216 6.326 10.999 1.00 0.00 C ATOM 16 CG ASP A 2 11.681 7.109 12.228 1.00 0.00 C ATOM 17 OD1 ASP A 2 12.126 8.260 12.032 1.00 0.00 O ATOM 18 OD2 ASP A 2 11.581 6.539 13.336 1.00 0.00 O ATOM 0 H ASP A 2 9.415 6.690 12.671 1.00 0.00 H new ATOM 0 HA ASP A 2 9.678 7.413 9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.373 5.263 11.183 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.846 6.599 10.153 1.00 0.00 H new ATOM 22 N ASP A 3 8.818 4.324 10.707 1.00 0.00 N ATOM 23 CA ASP A 3 8.318 3.068 10.175 1.00 0.00 C ATOM 24 C ASP A 3 7.116 3.346 9.271 1.00 0.00 C ATOM 25 O ASP A 3 6.840 2.581 8.347 1.00 0.00 O ATOM 26 CB ASP A 3 7.861 2.136 11.299 1.00 0.00 C ATOM 27 CG ASP A 3 8.990 1.452 12.072 1.00 0.00 C ATOM 28 OD1 ASP A 3 9.434 0.384 11.599 1.00 0.00 O ATOM 29 OD2 ASP A 3 9.383 2.012 13.118 1.00 0.00 O ATOM 0 H ASP A 3 8.797 4.394 11.724 1.00 0.00 H new ATOM 0 HA ASP A 3 9.125 2.591 9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.255 2.709 12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.215 1.368 10.873 1.00 0.00 H new ATOM 33 N LYS A 4 6.433 4.440 9.568 1.00 0.00 N ATOM 34 CA LYS A 4 5.265 4.828 8.795 1.00 0.00 C ATOM 35 C LYS A 4 5.713 5.639 7.576 1.00 0.00 C ATOM 36 O LYS A 4 5.156 5.493 6.490 1.00 0.00 O ATOM 37 CB LYS A 4 4.252 5.555 9.680 1.00 0.00 C ATOM 38 CG LYS A 4 3.585 4.588 10.660 1.00 0.00 C ATOM 39 CD LYS A 4 4.384 4.488 11.960 1.00 0.00 C ATOM 40 CE LYS A 4 4.430 3.044 12.466 1.00 0.00 C ATOM 41 NZ LYS A 4 5.277 2.945 13.675 1.00 0.00 N ATOM 0 H LYS A 4 6.666 5.072 10.334 1.00 0.00 H new ATOM 0 HA LYS A 4 4.747 3.946 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.752 6.351 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.493 6.028 9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.572 4.926 10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.502 3.602 10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.398 4.852 11.797 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.933 5.129 12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.421 2.700 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.822 2.391 11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.645 1.976 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.071 3.612 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.711 3.177 14.516 1.00 0.00 H new ATOM 51 N ILE A 5 6.714 6.479 7.800 1.00 0.00 N ATOM 52 CA ILE A 5 7.242 7.314 6.735 1.00 0.00 C ATOM 53 C ILE A 5 7.750 6.423 5.599 1.00 0.00 C ATOM 54 O ILE A 5 7.246 6.492 4.479 1.00 0.00 O ATOM 55 CB ILE A 5 8.300 8.274 7.282 1.00 0.00 C ATOM 56 CG1 ILE A 5 7.695 9.221 8.323 1.00 0.00 C ATOM 57 CG2 ILE A 5 8.989 9.035 6.148 1.00 0.00 C ATOM 58 CD1 ILE A 5 8.734 9.615 9.374 1.00 0.00 C ATOM 0 H ILE A 5 7.173 6.599 8.703 1.00 0.00 H new ATOM 0 HA ILE A 5 6.456 7.945 6.320 1.00 0.00 H new ATOM 0 HB ILE A 5 9.066 7.686 7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.315 10.115 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.846 8.739 8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.736 9.710 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.474 8.327 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.248 9.611 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.279 10.288 10.101 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.094 8.721 9.883 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.570 10.118 8.888 1.00 0.00 H new ATOM 69 N GLY A 6 8.741 5.608 5.927 1.00 0.00 N ATOM 70 CA GLY A 6 9.322 4.704 4.948 1.00 0.00 C ATOM 71 C GLY A 6 8.236 4.050 4.092 1.00 0.00 C ATOM 72 O GLY A 6 8.154 4.297 2.890 1.00 0.00 O ATOM 0 H GLY A 6 9.157 5.554 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.014 5.252 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.901 3.934 5.458 1.00 0.00 H new ATOM 76 N LEU A 7 7.427 3.229 4.746 1.00 0.00 N ATOM 77 CA LEU A 7 6.348 2.537 4.060 1.00 0.00 C ATOM 78 C LEU A 7 5.586 3.534 3.183 1.00 0.00 C ATOM 79 O LEU A 7 5.187 3.205 2.067 1.00 0.00 O ATOM 80 CB LEU A 7 5.462 1.798 5.064 1.00 0.00 C ATOM 81 CG LEU A 7 5.333 0.287 4.859 1.00 0.00 C ATOM 82 CD1 LEU A 7 6.678 -0.412 5.067 1.00 0.00 C ATOM 83 CD2 LEU A 7 4.239 -0.296 5.755 1.00 0.00 C ATOM 0 H LEU A 7 7.497 3.027 5.743 1.00 0.00 H new ATOM 0 HA LEU A 7 6.747 1.769 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.854 1.977 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.464 2.236 5.030 1.00 0.00 H new ATOM 0 HG LEU A 7 5.034 0.107 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.558 -1.485 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.404 -0.024 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.032 -0.226 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.168 -1.371 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.484 -0.105 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.284 0.172 5.515 1.00 0.00 H new ATOM 94 N LYS A 8 5.407 4.731 3.723 1.00 0.00 N ATOM 95 CA LYS A 8 4.700 5.777 3.003 1.00 0.00 C ATOM 96 C LYS A 8 5.531 6.210 1.795 1.00 0.00 C ATOM 97 O LYS A 8 4.985 6.473 0.724 1.00 0.00 O ATOM 98 CB LYS A 8 4.340 6.926 3.946 1.00 0.00 C ATOM 99 CG LYS A 8 3.253 7.815 3.339 1.00 0.00 C ATOM 100 CD LYS A 8 2.253 8.266 4.405 1.00 0.00 C ATOM 101 CE LYS A 8 2.326 9.779 4.621 1.00 0.00 C ATOM 102 NZ LYS A 8 2.927 10.085 5.939 1.00 0.00 N ATOM 0 H LYS A 8 5.739 4.999 4.649 1.00 0.00 H new ATOM 0 HA LYS A 8 3.752 5.401 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.996 6.524 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.228 7.522 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.711 8.687 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.730 7.270 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.244 7.987 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.459 7.751 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.918 10.237 3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.326 10.210 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.453 10.913 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.811 9.268 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.940 10.289 5.820 1.00 0.00 H new ATOM 112 N VAL A 9 6.837 6.271 2.006 1.00 0.00 N ATOM 113 CA VAL A 9 7.749 6.668 0.947 1.00 0.00 C ATOM 114 C VAL A 9 7.566 5.737 -0.254 1.00 0.00 C ATOM 115 O VAL A 9 7.270 6.192 -1.358 1.00 0.00 O ATOM 116 CB VAL A 9 9.185 6.691 1.473 1.00 0.00 C ATOM 117 CG1 VAL A 9 10.170 7.068 0.365 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.317 7.636 2.668 1.00 0.00 C ATOM 0 H VAL A 9 7.286 6.052 2.895 1.00 0.00 H new ATOM 0 HA VAL A 9 7.525 7.680 0.610 1.00 0.00 H new ATOM 0 HB VAL A 9 9.432 5.685 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.183 7.077 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.106 6.339 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.924 8.058 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.348 7.633 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.040 8.646 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.657 7.304 3.469 1.00 0.00 H new ATOM 128 N LEU A 10 7.749 4.451 0.003 1.00 0.00 N ATOM 129 CA LEU A 10 7.609 3.451 -1.042 1.00 0.00 C ATOM 130 C LEU A 10 6.196 3.524 -1.624 1.00 0.00 C ATOM 131 O LEU A 10 6.025 3.594 -2.841 1.00 0.00 O ATOM 132 CB LEU A 10 7.986 2.066 -0.514 1.00 0.00 C ATOM 133 CG LEU A 10 9.378 1.558 -0.895 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.304 1.532 0.321 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.294 0.194 -1.583 1.00 0.00 C ATOM 0 H LEU A 10 7.993 4.078 0.920 1.00 0.00 H new ATOM 0 HA LEU A 10 8.302 3.654 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.912 2.081 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.248 1.349 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 10 9.811 2.254 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.287 1.167 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.399 2.539 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.887 0.871 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.297 -0.144 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.832 -0.526 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.693 0.280 -2.489 1.00 0.00 H new ATOM 146 N TYR A 11 5.220 3.504 -0.729 1.00 0.00 N ATOM 147 CA TYR A 11 3.827 3.567 -1.138 1.00 0.00 C ATOM 148 C TYR A 11 3.567 4.799 -2.009 1.00 0.00 C ATOM 149 O TYR A 11 3.117 4.675 -3.147 1.00 0.00 O ATOM 150 CB TYR A 11 3.013 3.688 0.151 1.00 0.00 C ATOM 151 CG TYR A 11 1.698 4.452 -0.011 1.00 0.00 C ATOM 152 CD1 TYR A 11 1.008 4.392 -1.205 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.201 5.202 1.036 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.229 5.112 -1.360 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.037 5.921 0.882 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.690 5.841 -0.308 1.00 0.00 C ATOM 157 OH TYR A 11 -1.860 6.521 -0.453 1.00 0.00 O ATOM 0 H TYR A 11 5.366 3.445 0.279 1.00 0.00 H new ATOM 0 HA TYR A 11 3.558 2.686 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.796 2.688 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.620 4.187 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.396 3.804 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.741 5.249 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.778 5.074 -2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.438 6.510 1.693 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.942 6.838 -1.377 1.00 0.00 H new ATOM 166 N LYS A 12 3.860 5.959 -1.439 1.00 0.00 N ATOM 167 CA LYS A 12 3.663 7.212 -2.148 1.00 0.00 C ATOM 168 C LYS A 12 4.410 7.161 -3.483 1.00 0.00 C ATOM 169 O LYS A 12 3.974 7.755 -4.467 1.00 0.00 O ATOM 170 CB LYS A 12 4.060 8.396 -1.266 1.00 0.00 C ATOM 171 CG LYS A 12 4.250 9.663 -2.102 1.00 0.00 C ATOM 172 CD LYS A 12 5.633 9.686 -2.757 1.00 0.00 C ATOM 173 CE LYS A 12 6.221 11.098 -2.750 1.00 0.00 C ATOM 174 NZ LYS A 12 7.359 11.182 -1.808 1.00 0.00 N ATOM 0 H LYS A 12 4.232 6.057 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 12 2.607 7.357 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.292 8.566 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.983 8.165 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.479 9.715 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.129 10.542 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.301 9.008 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.559 9.324 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.552 11.365 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.452 11.817 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.746 12.147 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.033 10.948 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.099 10.510 -2.096 1.00 0.00 H new ATOM 184 N LEU A 13 5.526 6.444 -3.472 1.00 0.00 N ATOM 185 CA LEU A 13 6.338 6.307 -4.670 1.00 0.00 C ATOM 186 C LEU A 13 5.725 5.239 -5.577 1.00 0.00 C ATOM 187 O LEU A 13 5.935 5.255 -6.789 1.00 0.00 O ATOM 188 CB LEU A 13 7.798 6.035 -4.297 1.00 0.00 C ATOM 189 CG LEU A 13 8.824 6.249 -5.411 1.00 0.00 C ATOM 190 CD1 LEU A 13 9.969 7.146 -4.937 1.00 0.00 C ATOM 191 CD2 LEU A 13 9.332 4.910 -5.953 1.00 0.00 C ATOM 0 H LEU A 13 5.886 5.953 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 13 6.345 7.239 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.064 6.677 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.878 5.005 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 13 8.331 6.765 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.684 7.282 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.571 8.116 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.468 6.680 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.060 5.090 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.803 4.347 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.495 4.339 -6.354 1.00 0.00 H new ATOM 202 N MET A 14 4.980 4.337 -4.957 1.00 0.00 N ATOM 203 CA MET A 14 4.335 3.263 -5.694 1.00 0.00 C ATOM 204 C MET A 14 3.107 3.777 -6.448 1.00 0.00 C ATOM 205 O MET A 14 2.932 3.485 -7.630 1.00 0.00 O ATOM 206 CB MET A 14 3.912 2.159 -4.724 1.00 0.00 C ATOM 207 CG MET A 14 5.124 1.351 -4.252 1.00 0.00 C ATOM 208 SD MET A 14 4.884 -0.379 -4.617 1.00 0.00 S ATOM 209 CE MET A 14 6.508 -1.007 -4.227 1.00 0.00 C ATOM 0 H MET A 14 4.808 4.327 -3.952 1.00 0.00 H new ATOM 0 HA MET A 14 5.046 2.868 -6.420 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.406 2.599 -3.864 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.196 1.497 -5.211 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.027 1.713 -4.744 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.268 1.488 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.533 -2.083 -4.401 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.249 -0.519 -4.861 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.735 -0.803 -3.181 1.00 0.00 H new ATOM 217 N ASP A 15 2.287 4.535 -5.734 1.00 0.00 N ATOM 218 CA ASP A 15 1.081 5.092 -6.320 1.00 0.00 C ATOM 219 C ASP A 15 1.443 5.850 -7.599 1.00 0.00 C ATOM 220 O ASP A 15 1.737 7.044 -7.556 1.00 0.00 O ATOM 221 CB ASP A 15 0.406 6.076 -5.364 1.00 0.00 C ATOM 222 CG ASP A 15 -0.704 6.925 -5.986 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.643 6.314 -6.542 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.591 8.167 -5.891 1.00 0.00 O ATOM 0 H ASP A 15 2.435 4.776 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 15 0.399 4.268 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.011 5.517 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.166 6.742 -4.956 1.00 0.00 H new ATOM 228 N VAL A 16 1.412 5.125 -8.708 1.00 0.00 N ATOM 229 CA VAL A 16 1.734 5.714 -9.997 1.00 0.00 C ATOM 230 C VAL A 16 0.488 5.699 -10.885 1.00 0.00 C ATOM 231 O VAL A 16 0.296 6.596 -11.706 1.00 0.00 O ATOM 232 CB VAL A 16 2.924 4.985 -10.623 1.00 0.00 C ATOM 233 CG1 VAL A 16 2.995 5.244 -12.130 1.00 0.00 C ATOM 234 CG2 VAL A 16 4.232 5.378 -9.936 1.00 0.00 C ATOM 0 H VAL A 16 1.169 4.135 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 16 2.035 6.755 -9.877 1.00 0.00 H new ATOM 0 HB VAL A 16 2.777 3.915 -10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.850 4.714 -12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.080 4.889 -12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.106 6.313 -12.311 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.062 4.845 -10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.388 6.452 -10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.180 5.118 -8.879 1.00 0.00 H new ATOM 244 N ASP A 17 -0.326 4.673 -10.691 1.00 0.00 N ATOM 245 CA ASP A 17 -1.548 4.530 -11.464 1.00 0.00 C ATOM 246 C ASP A 17 -2.194 5.904 -11.648 1.00 0.00 C ATOM 247 O ASP A 17 -2.801 6.175 -12.683 1.00 0.00 O ATOM 248 CB ASP A 17 -2.553 3.628 -10.745 1.00 0.00 C ATOM 249 CG ASP A 17 -3.947 3.585 -11.371 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.045 3.948 -12.564 1.00 0.00 O ATOM 251 OD2 ASP A 17 -4.885 3.189 -10.645 1.00 0.00 O ATOM 0 H ASP A 17 -0.164 3.932 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.288 4.086 -12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.153 2.615 -10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.645 3.964 -9.712 1.00 0.00 H new ATOM 255 N GLY A 18 -2.040 6.737 -10.629 1.00 0.00 N ATOM 256 CA GLY A 18 -2.601 8.076 -10.665 1.00 0.00 C ATOM 257 C GLY A 18 -3.935 8.132 -9.919 1.00 0.00 C ATOM 258 O GLY A 18 -4.998 8.083 -10.536 1.00 0.00 O ATOM 0 H GLY A 18 -1.534 6.510 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.900 8.780 -10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.746 8.386 -11.700 1.00 0.00 H new ATOM 262 N ASP A 19 -3.837 8.236 -8.601 1.00 0.00 N ATOM 263 CA ASP A 19 -5.023 8.299 -7.765 1.00 0.00 C ATOM 264 C ASP A 19 -4.648 8.879 -6.400 1.00 0.00 C ATOM 265 O ASP A 19 -5.253 9.849 -5.946 1.00 0.00 O ATOM 266 CB ASP A 19 -5.615 6.906 -7.541 1.00 0.00 C ATOM 267 CG ASP A 19 -6.437 6.358 -8.710 1.00 0.00 C ATOM 268 OD1 ASP A 19 -7.578 6.840 -8.876 1.00 0.00 O ATOM 269 OD2 ASP A 19 -5.906 5.468 -9.410 1.00 0.00 O ATOM 0 H ASP A 19 -2.954 8.278 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.759 8.925 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.802 6.211 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.247 6.935 -6.653 1.00 0.00 H new ATOM 273 N GLY A 20 -3.654 8.259 -5.782 1.00 0.00 N ATOM 274 CA GLY A 20 -3.190 8.701 -4.478 1.00 0.00 C ATOM 275 C GLY A 20 -3.403 7.613 -3.423 1.00 0.00 C ATOM 276 O GLY A 20 -2.733 7.604 -2.392 1.00 0.00 O ATOM 0 H GLY A 20 -3.156 7.453 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.132 8.958 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.723 9.606 -4.186 1.00 0.00 H new ATOM 280 N LYS A 21 -4.339 6.723 -3.718 1.00 0.00 N ATOM 281 CA LYS A 21 -4.648 5.632 -2.808 1.00 0.00 C ATOM 282 C LYS A 21 -3.895 4.376 -3.249 1.00 0.00 C ATOM 283 O LYS A 21 -3.665 4.172 -4.441 1.00 0.00 O ATOM 284 CB LYS A 21 -6.162 5.436 -2.702 1.00 0.00 C ATOM 285 CG LYS A 21 -6.791 5.263 -4.086 1.00 0.00 C ATOM 286 CD LYS A 21 -7.537 6.528 -4.511 1.00 0.00 C ATOM 287 CE LYS A 21 -8.771 6.757 -3.636 1.00 0.00 C ATOM 288 NZ LYS A 21 -9.183 8.179 -3.681 1.00 0.00 N ATOM 0 H LYS A 21 -4.894 6.735 -4.574 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.309 5.869 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.377 4.561 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.609 6.294 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.015 5.032 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.479 4.418 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.871 7.388 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.838 6.444 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.590 6.124 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.554 6.468 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.022 8.317 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.407 8.777 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.410 8.444 -4.661 1.00 0.00 H new ATOM 298 N LEU A 22 -3.531 3.567 -2.265 1.00 0.00 N ATOM 299 CA LEU A 22 -2.809 2.337 -2.537 1.00 0.00 C ATOM 300 C LEU A 22 -3.802 1.177 -2.629 1.00 0.00 C ATOM 301 O LEU A 22 -4.134 0.558 -1.620 1.00 0.00 O ATOM 302 CB LEU A 22 -1.707 2.122 -1.497 1.00 0.00 C ATOM 303 CG LEU A 22 -0.450 1.399 -1.990 1.00 0.00 C ATOM 304 CD1 LEU A 22 0.176 2.137 -3.175 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.548 1.196 -0.849 1.00 0.00 C ATOM 0 H LEU A 22 -3.723 3.740 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.301 2.399 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.412 3.095 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.125 1.555 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.740 0.410 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.067 1.604 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.542 2.187 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.450 3.147 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.431 0.681 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.839 2.165 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.086 0.598 -0.064 1.00 0.00 H new ATOM 316 N THR A 23 -4.248 0.917 -3.849 1.00 0.00 N ATOM 317 CA THR A 23 -5.196 -0.158 -4.087 1.00 0.00 C ATOM 318 C THR A 23 -4.459 -1.456 -4.423 1.00 0.00 C ATOM 319 O THR A 23 -3.315 -1.426 -4.876 1.00 0.00 O ATOM 320 CB THR A 23 -6.159 0.295 -5.186 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.440 0.066 -6.395 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.392 1.807 -5.173 1.00 0.00 C ATOM 0 H THR A 23 -3.970 1.433 -4.684 1.00 0.00 H new ATOM 0 HA THR A 23 -5.779 -0.375 -3.192 1.00 0.00 H new ATOM 0 HB THR A 23 -7.112 -0.221 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.993 0.331 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.083 2.076 -5.972 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.816 2.102 -4.213 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.444 2.323 -5.324 1.00 0.00 H new ATOM 330 N LYS A 24 -5.143 -2.565 -4.188 1.00 0.00 N ATOM 331 CA LYS A 24 -4.568 -3.872 -4.460 1.00 0.00 C ATOM 332 C LYS A 24 -4.189 -3.959 -5.939 1.00 0.00 C ATOM 333 O LYS A 24 -3.151 -4.520 -6.286 1.00 0.00 O ATOM 334 CB LYS A 24 -5.515 -4.982 -4.001 1.00 0.00 C ATOM 335 CG LYS A 24 -6.889 -4.834 -4.658 1.00 0.00 C ATOM 336 CD LYS A 24 -7.622 -6.177 -4.704 1.00 0.00 C ATOM 337 CE LYS A 24 -7.953 -6.571 -6.145 1.00 0.00 C ATOM 338 NZ LYS A 24 -7.533 -7.965 -6.411 1.00 0.00 N ATOM 0 H LYS A 24 -6.091 -2.586 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.652 -4.011 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.091 -5.954 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.621 -4.950 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.485 -4.109 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.773 -4.444 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.004 -6.949 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.540 -6.115 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.024 -6.468 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.451 -5.895 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.765 -8.216 -7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.507 -8.052 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.031 -8.607 -5.763 1.00 0.00 H new ATOM 348 N GLU A 25 -5.051 -3.395 -6.773 1.00 0.00 N ATOM 349 CA GLU A 25 -4.820 -3.403 -8.208 1.00 0.00 C ATOM 350 C GLU A 25 -3.507 -2.690 -8.537 1.00 0.00 C ATOM 351 O GLU A 25 -2.620 -3.272 -9.161 1.00 0.00 O ATOM 352 CB GLU A 25 -5.992 -2.766 -8.955 1.00 0.00 C ATOM 353 CG GLU A 25 -6.592 -3.742 -9.969 1.00 0.00 C ATOM 354 CD GLU A 25 -7.528 -3.019 -10.940 1.00 0.00 C ATOM 355 OE1 GLU A 25 -8.573 -2.527 -10.461 1.00 0.00 O ATOM 356 OE2 GLU A 25 -7.176 -2.973 -12.139 1.00 0.00 O ATOM 0 H GLU A 25 -5.911 -2.929 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.742 -4.439 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.758 -2.459 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.655 -1.865 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.792 -4.231 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.140 -4.525 -9.445 1.00 0.00 H new ATOM 361 N GLU A 26 -3.423 -1.441 -8.103 1.00 0.00 N ATOM 362 CA GLU A 26 -2.234 -0.643 -8.344 1.00 0.00 C ATOM 363 C GLU A 26 -1.027 -1.261 -7.636 1.00 0.00 C ATOM 364 O GLU A 26 0.101 -1.150 -8.113 1.00 0.00 O ATOM 365 CB GLU A 26 -2.447 0.807 -7.902 1.00 0.00 C ATOM 366 CG GLU A 26 -1.198 1.651 -8.170 1.00 0.00 C ATOM 367 CD GLU A 26 -1.406 3.095 -7.711 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.174 3.279 -6.743 1.00 0.00 O ATOM 369 OE2 GLU A 26 -0.790 3.984 -8.339 1.00 0.00 O ATOM 0 H GLU A 26 -4.160 -0.962 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.037 -0.636 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.298 1.232 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.688 0.835 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.344 1.219 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.964 1.634 -9.234 1.00 0.00 H new ATOM 374 N VAL A 27 -1.306 -1.900 -6.509 1.00 0.00 N ATOM 375 CA VAL A 27 -0.257 -2.536 -5.731 1.00 0.00 C ATOM 376 C VAL A 27 0.262 -3.761 -6.486 1.00 0.00 C ATOM 377 O VAL A 27 1.382 -3.753 -6.995 1.00 0.00 O ATOM 378 CB VAL A 27 -0.775 -2.872 -4.331 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.174 -4.185 -3.824 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.497 -1.728 -3.354 1.00 0.00 C ATOM 0 H VAL A 27 -2.243 -1.991 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 27 0.585 -1.856 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.855 -3.001 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.559 -4.400 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.446 -4.995 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.912 -4.096 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.875 -1.993 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.577 -1.552 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.995 -0.823 -3.702 1.00 0.00 H new ATOM 390 N THR A 28 -0.578 -4.785 -6.536 1.00 0.00 N ATOM 391 CA THR A 28 -0.219 -6.015 -7.221 1.00 0.00 C ATOM 392 C THR A 28 0.414 -5.703 -8.580 1.00 0.00 C ATOM 393 O THR A 28 1.282 -6.438 -9.047 1.00 0.00 O ATOM 394 CB THR A 28 -1.473 -6.885 -7.319 1.00 0.00 C ATOM 395 OG1 THR A 28 -0.973 -8.179 -7.647 1.00 0.00 O ATOM 396 CG2 THR A 28 -2.352 -6.512 -8.514 1.00 0.00 C ATOM 0 H THR A 28 -1.506 -4.788 -6.113 1.00 0.00 H new ATOM 0 HA THR A 28 0.536 -6.571 -6.666 1.00 0.00 H new ATOM 0 HB THR A 28 -2.051 -6.793 -6.400 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.720 -8.808 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.228 -7.160 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.670 -5.474 -8.421 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.784 -6.637 -9.436 1.00 0.00 H new ATOM 404 N SER A 29 -0.049 -4.614 -9.175 1.00 0.00 N ATOM 405 CA SER A 29 0.460 -4.196 -10.470 1.00 0.00 C ATOM 406 C SER A 29 1.918 -3.751 -10.341 1.00 0.00 C ATOM 407 O SER A 29 2.776 -4.195 -11.104 1.00 0.00 O ATOM 408 CB SER A 29 -0.390 -3.067 -11.058 1.00 0.00 C ATOM 409 OG SER A 29 0.281 -2.391 -12.117 1.00 0.00 O ATOM 0 H SER A 29 -0.771 -4.008 -8.784 1.00 0.00 H new ATOM 0 HA SER A 29 0.406 -5.047 -11.149 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.331 -3.476 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.639 -2.354 -10.272 1.00 0.00 H new ATOM 0 HG SER A 29 -0.294 -1.679 -12.467 1.00 0.00 H new ATOM 414 N PHE A 30 2.154 -2.881 -9.371 1.00 0.00 N ATOM 415 CA PHE A 30 3.494 -2.371 -9.133 1.00 0.00 C ATOM 416 C PHE A 30 4.324 -3.369 -8.324 1.00 0.00 C ATOM 417 O PHE A 30 5.544 -3.425 -8.467 1.00 0.00 O ATOM 418 CB PHE A 30 3.344 -1.079 -8.326 1.00 0.00 C ATOM 419 CG PHE A 30 4.398 -0.018 -8.649 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.599 -0.036 -8.011 1.00 0.00 C ATOM 421 CD2 PHE A 30 4.134 0.943 -9.574 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.576 0.948 -8.311 1.00 0.00 C ATOM 423 CE2 PHE A 30 5.111 1.929 -9.873 1.00 0.00 C ATOM 424 CZ PHE A 30 6.312 1.910 -9.235 1.00 0.00 C ATOM 0 H PHE A 30 1.440 -2.516 -8.740 1.00 0.00 H new ATOM 0 HA PHE A 30 4.002 -2.201 -10.082 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.354 -0.661 -8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.397 -1.318 -7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.809 -0.799 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.181 0.956 -10.082 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.530 0.933 -7.805 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.901 2.693 -10.606 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.056 2.659 -9.462 1.00 0.00 H new ATOM 433 N PHE A 31 3.630 -4.132 -7.493 1.00 0.00 N ATOM 434 CA PHE A 31 4.288 -5.126 -6.662 1.00 0.00 C ATOM 435 C PHE A 31 4.594 -6.393 -7.461 1.00 0.00 C ATOM 436 O PHE A 31 5.437 -7.195 -7.060 1.00 0.00 O ATOM 437 CB PHE A 31 3.320 -5.472 -5.528 1.00 0.00 C ATOM 438 CG PHE A 31 3.412 -4.535 -4.323 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.970 -3.253 -4.424 1.00 0.00 C ATOM 440 CD2 PHE A 31 3.936 -4.984 -3.151 1.00 0.00 C ATOM 441 CE1 PHE A 31 3.054 -2.383 -3.304 1.00 0.00 C ATOM 442 CE2 PHE A 31 4.021 -4.113 -2.032 1.00 0.00 C ATOM 443 CZ PHE A 31 3.578 -2.832 -2.132 1.00 0.00 C ATOM 0 H PHE A 31 2.618 -4.082 -7.377 1.00 0.00 H new ATOM 0 HA PHE A 31 5.231 -4.731 -6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.301 -5.451 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.514 -6.492 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.555 -2.896 -5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.287 -6.002 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.702 -1.365 -3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.438 -4.469 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.642 -2.171 -1.281 1.00 0.00 H new ATOM 452 N LYS A 32 3.894 -6.535 -8.577 1.00 0.00 N ATOM 453 CA LYS A 32 4.081 -7.691 -9.436 1.00 0.00 C ATOM 454 C LYS A 32 5.565 -7.836 -9.775 1.00 0.00 C ATOM 455 O LYS A 32 6.015 -8.912 -10.165 1.00 0.00 O ATOM 456 CB LYS A 32 3.174 -7.598 -10.666 1.00 0.00 C ATOM 457 CG LYS A 32 2.107 -8.693 -10.645 1.00 0.00 C ATOM 458 CD LYS A 32 1.817 -9.202 -12.059 1.00 0.00 C ATOM 459 CE LYS A 32 2.847 -10.249 -12.487 1.00 0.00 C ATOM 460 NZ LYS A 32 3.860 -9.645 -13.381 1.00 0.00 N ATOM 0 H LYS A 32 3.196 -5.868 -8.906 1.00 0.00 H new ATOM 0 HA LYS A 32 3.783 -8.602 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.695 -6.619 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.774 -7.687 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.441 -9.520 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.191 -8.305 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.817 -9.634 -12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.829 -8.367 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.334 -10.669 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.347 -11.072 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.870 -10.153 -14.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.625 -8.645 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.798 -9.711 -12.937 1.00 0.00 H new ATOM 470 N LYS A 33 6.285 -6.735 -9.615 1.00 0.00 N ATOM 471 CA LYS A 33 7.710 -6.725 -9.900 1.00 0.00 C ATOM 472 C LYS A 33 8.478 -7.164 -8.652 1.00 0.00 C ATOM 473 O LYS A 33 9.570 -7.724 -8.755 1.00 0.00 O ATOM 474 CB LYS A 33 8.140 -5.358 -10.436 1.00 0.00 C ATOM 475 CG LYS A 33 7.437 -5.041 -11.757 1.00 0.00 C ATOM 476 CD LYS A 33 7.128 -3.547 -11.870 1.00 0.00 C ATOM 477 CE LYS A 33 7.103 -3.102 -13.334 1.00 0.00 C ATOM 478 NZ LYS A 33 8.313 -2.312 -13.656 1.00 0.00 N ATOM 0 H LYS A 33 5.908 -5.844 -9.292 1.00 0.00 H new ATOM 0 HA LYS A 33 7.945 -7.440 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.908 -4.586 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.220 -5.344 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.067 -5.350 -12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.512 -5.613 -11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.165 -3.335 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.878 -2.974 -11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.047 -3.975 -13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.211 -2.505 -13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.280 -2.018 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.350 -1.469 -13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.160 -2.893 -13.494 1.00 0.00 H new ATOM 488 N HIS A 34 7.878 -6.897 -7.501 1.00 0.00 N ATOM 489 CA HIS A 34 8.492 -7.258 -6.235 1.00 0.00 C ATOM 490 C HIS A 34 7.976 -8.627 -5.787 1.00 0.00 C ATOM 491 O HIS A 34 7.988 -9.583 -6.560 1.00 0.00 O ATOM 492 CB HIS A 34 8.262 -6.166 -5.189 1.00 0.00 C ATOM 493 CG HIS A 34 8.783 -4.808 -5.594 1.00 0.00 C ATOM 494 ND1 HIS A 34 7.983 -3.841 -6.177 1.00 0.00 N ATOM 495 CD2 HIS A 34 10.031 -4.265 -5.494 1.00 0.00 C ATOM 496 CE1 HIS A 34 8.725 -2.770 -6.414 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.994 -3.035 -5.990 1.00 0.00 N ATOM 0 H HIS A 34 6.973 -6.435 -7.419 1.00 0.00 H new ATOM 0 HA HIS A 34 9.572 -7.338 -6.360 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.193 -6.089 -4.988 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.741 -6.464 -4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.901 -4.754 -5.081 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.385 -1.849 -6.864 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.785 -2.393 -6.045 1.00 0.00 H new ATOM 504 N GLY A 35 7.534 -8.677 -4.539 1.00 0.00 N ATOM 505 CA GLY A 35 7.013 -9.913 -3.978 1.00 0.00 C ATOM 506 C GLY A 35 5.488 -9.867 -3.869 1.00 0.00 C ATOM 507 O GLY A 35 4.921 -10.284 -2.861 1.00 0.00 O ATOM 0 H GLY A 35 7.526 -7.882 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.311 -10.754 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.447 -10.080 -2.992 1.00 0.00 H new ATOM 511 N ILE A 36 4.868 -9.354 -4.922 1.00 0.00 N ATOM 512 CA ILE A 36 3.418 -9.248 -4.958 1.00 0.00 C ATOM 513 C ILE A 36 2.808 -10.376 -4.124 1.00 0.00 C ATOM 514 O ILE A 36 2.002 -10.126 -3.229 1.00 0.00 O ATOM 515 CB ILE A 36 2.919 -9.213 -6.404 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.416 -8.937 -6.459 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.294 -10.498 -7.144 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.618 -10.242 -6.455 1.00 0.00 C ATOM 0 H ILE A 36 5.342 -9.007 -5.756 1.00 0.00 H new ATOM 0 HA ILE A 36 3.093 -8.309 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 36 3.416 -8.390 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.124 -8.325 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.180 -8.365 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.928 -10.447 -8.169 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.378 -10.611 -7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.844 -11.353 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.448 -10.017 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.895 -10.841 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.837 -10.800 -5.545 1.00 0.00 H new ATOM 529 N GLU A 37 3.216 -11.595 -4.446 1.00 0.00 N ATOM 530 CA GLU A 37 2.719 -12.763 -3.738 1.00 0.00 C ATOM 531 C GLU A 37 2.559 -12.452 -2.249 1.00 0.00 C ATOM 532 O GLU A 37 1.466 -12.582 -1.698 1.00 0.00 O ATOM 533 CB GLU A 37 3.639 -13.965 -3.951 1.00 0.00 C ATOM 534 CG GLU A 37 3.395 -14.608 -5.318 1.00 0.00 C ATOM 535 CD GLU A 37 3.974 -16.024 -5.371 1.00 0.00 C ATOM 536 OE1 GLU A 37 5.025 -16.231 -4.726 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.352 -16.865 -6.054 1.00 0.00 O ATOM 0 H GLU A 37 3.885 -11.799 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 37 1.740 -13.020 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.679 -13.649 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.470 -14.700 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.325 -14.641 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.849 -13.996 -6.098 1.00 0.00 H new ATOM 542 N LYS A 38 3.663 -12.046 -1.640 1.00 0.00 N ATOM 543 CA LYS A 38 3.659 -11.714 -0.225 1.00 0.00 C ATOM 544 C LYS A 38 2.548 -10.699 0.053 1.00 0.00 C ATOM 545 O LYS A 38 1.581 -11.006 0.749 1.00 0.00 O ATOM 546 CB LYS A 38 5.046 -11.247 0.220 1.00 0.00 C ATOM 547 CG LYS A 38 5.298 -11.598 1.688 1.00 0.00 C ATOM 548 CD LYS A 38 6.096 -12.897 1.812 1.00 0.00 C ATOM 549 CE LYS A 38 5.280 -13.975 2.528 1.00 0.00 C ATOM 550 NZ LYS A 38 5.085 -13.621 3.951 1.00 0.00 N ATOM 0 H LYS A 38 4.567 -11.939 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 38 3.440 -12.598 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.808 -11.712 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.133 -10.170 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.841 -10.786 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.346 -11.700 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.380 -13.249 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.019 -12.710 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.312 -14.090 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.791 -14.935 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.793 -14.466 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.976 -13.256 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.348 -12.892 4.029 1.00 0.00 H new ATOM 560 N VAL A 39 2.725 -9.511 -0.503 1.00 0.00 N ATOM 561 CA VAL A 39 1.750 -8.448 -0.324 1.00 0.00 C ATOM 562 C VAL A 39 0.350 -8.990 -0.617 1.00 0.00 C ATOM 563 O VAL A 39 -0.633 -8.531 -0.037 1.00 0.00 O ATOM 564 CB VAL A 39 2.119 -7.246 -1.196 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.252 -7.195 -2.454 1.00 0.00 C ATOM 566 CG2 VAL A 39 2.014 -5.940 -0.403 1.00 0.00 C ATOM 0 H VAL A 39 3.529 -9.260 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 39 1.754 -8.098 0.708 1.00 0.00 H new ATOM 0 HB VAL A 39 3.156 -7.365 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.535 -6.331 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.399 -8.106 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.203 -7.111 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.282 -5.101 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.992 -5.812 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.694 -5.976 0.448 1.00 0.00 H new ATOM 576 N ALA A 40 0.304 -9.961 -1.517 1.00 0.00 N ATOM 577 CA ALA A 40 -0.960 -10.573 -1.895 1.00 0.00 C ATOM 578 C ALA A 40 -1.627 -11.166 -0.651 1.00 0.00 C ATOM 579 O ALA A 40 -2.801 -10.908 -0.389 1.00 0.00 O ATOM 580 CB ALA A 40 -0.716 -11.622 -2.981 1.00 0.00 C ATOM 0 H ALA A 40 1.121 -10.340 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.638 -9.827 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.664 -12.080 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.269 -11.145 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.041 -12.389 -2.601 1.00 0.00 H new ATOM 586 N GLU A 41 -0.849 -11.947 0.083 1.00 0.00 N ATOM 587 CA GLU A 41 -1.349 -12.578 1.293 1.00 0.00 C ATOM 588 C GLU A 41 -1.532 -11.535 2.398 1.00 0.00 C ATOM 589 O GLU A 41 -2.580 -11.486 3.041 1.00 0.00 O ATOM 590 CB GLU A 41 -0.418 -13.703 1.748 1.00 0.00 C ATOM 591 CG GLU A 41 -1.162 -14.704 2.634 1.00 0.00 C ATOM 592 CD GLU A 41 -0.339 -15.979 2.832 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.394 -16.334 1.884 1.00 0.00 O ATOM 594 OE2 GLU A 41 -0.461 -16.570 3.927 1.00 0.00 O ATOM 0 H GLU A 41 0.125 -12.158 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.321 -13.021 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.009 -14.216 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.425 -13.283 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.375 -14.250 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.122 -14.953 2.181 1.00 0.00 H new ATOM 599 N GLN A 42 -0.498 -10.730 2.584 1.00 0.00 N ATOM 600 CA GLN A 42 -0.532 -9.692 3.601 1.00 0.00 C ATOM 601 C GLN A 42 -1.723 -8.760 3.368 1.00 0.00 C ATOM 602 O GLN A 42 -2.516 -8.522 4.278 1.00 0.00 O ATOM 603 CB GLN A 42 0.781 -8.906 3.627 1.00 0.00 C ATOM 604 CG GLN A 42 1.679 -9.379 4.773 1.00 0.00 C ATOM 605 CD GLN A 42 2.348 -8.193 5.471 1.00 0.00 C ATOM 606 OE1 GLN A 42 1.741 -7.473 6.246 1.00 0.00 O ATOM 607 NE2 GLN A 42 3.629 -8.030 5.152 1.00 0.00 N ATOM 0 H GLN A 42 0.369 -10.775 2.048 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.652 -10.168 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.302 -9.029 2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.571 -7.842 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.088 -9.943 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.441 -10.056 4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.076 -8.670 4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.164 -7.265 5.564 1.00 0.00 H new ATOM 614 N VAL A 43 -1.811 -8.259 2.145 1.00 0.00 N ATOM 615 CA VAL A 43 -2.892 -7.357 1.781 1.00 0.00 C ATOM 616 C VAL A 43 -4.229 -8.081 1.945 1.00 0.00 C ATOM 617 O VAL A 43 -5.204 -7.495 2.411 1.00 0.00 O ATOM 618 CB VAL A 43 -2.671 -6.821 0.366 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.844 -5.942 -0.076 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.347 -6.060 0.268 1.00 0.00 C ATOM 0 H VAL A 43 -1.152 -8.460 1.393 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.908 -6.491 2.443 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.617 -7.673 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.662 -5.573 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.763 -6.528 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.943 -5.098 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.215 -5.690 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.358 -5.219 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.524 -6.728 0.521 1.00 0.00 H new ATOM 630 N MET A 44 -4.233 -9.347 1.551 1.00 0.00 N ATOM 631 CA MET A 44 -5.436 -10.157 1.648 1.00 0.00 C ATOM 632 C MET A 44 -6.016 -10.111 3.062 1.00 0.00 C ATOM 633 O MET A 44 -7.214 -9.903 3.239 1.00 0.00 O ATOM 634 CB MET A 44 -5.107 -11.605 1.277 1.00 0.00 C ATOM 635 CG MET A 44 -5.734 -11.983 -0.065 1.00 0.00 C ATOM 636 SD MET A 44 -5.371 -13.688 -0.451 1.00 0.00 S ATOM 637 CE MET A 44 -4.908 -13.527 -2.167 1.00 0.00 C ATOM 0 H MET A 44 -3.423 -9.831 1.164 1.00 0.00 H new ATOM 0 HA MET A 44 -6.179 -9.755 0.959 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.026 -11.735 1.227 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.472 -12.275 2.055 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.813 -11.832 -0.027 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.349 -11.334 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.649 -14.507 -2.567 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.743 -13.114 -2.732 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.049 -12.862 -2.251 1.00 0.00 H new ATOM 645 N LYS A 45 -5.136 -10.308 4.035 1.00 0.00 N ATOM 646 CA LYS A 45 -5.546 -10.291 5.429 1.00 0.00 C ATOM 647 C LYS A 45 -5.669 -8.841 5.902 1.00 0.00 C ATOM 648 O LYS A 45 -6.328 -8.566 6.904 1.00 0.00 O ATOM 649 CB LYS A 45 -4.593 -11.136 6.277 1.00 0.00 C ATOM 650 CG LYS A 45 -4.858 -12.630 6.074 1.00 0.00 C ATOM 651 CD LYS A 45 -6.149 -13.059 6.775 1.00 0.00 C ATOM 652 CE LYS A 45 -6.983 -13.974 5.876 1.00 0.00 C ATOM 653 NZ LYS A 45 -8.421 -13.854 6.205 1.00 0.00 N ATOM 0 H LYS A 45 -4.142 -10.480 3.885 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.529 -10.748 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.562 -10.906 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.714 -10.881 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.929 -12.849 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.020 -13.208 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.908 -13.577 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.731 -12.178 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.820 -13.713 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.661 -15.008 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.972 -14.482 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.574 -14.125 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.729 -12.871 6.064 1.00 0.00 H new ATOM 663 N ALA A 46 -5.026 -7.953 5.159 1.00 0.00 N ATOM 664 CA ALA A 46 -5.056 -6.538 5.491 1.00 0.00 C ATOM 665 C ALA A 46 -6.419 -5.959 5.113 1.00 0.00 C ATOM 666 O ALA A 46 -7.093 -5.352 5.945 1.00 0.00 O ATOM 667 CB ALA A 46 -3.902 -5.824 4.783 1.00 0.00 C ATOM 0 H ALA A 46 -4.481 -8.185 4.328 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.922 -6.392 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.924 -4.763 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.954 -6.253 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.005 -5.946 3.705 1.00 0.00 H new ATOM 673 N ASP A 47 -6.788 -6.166 3.857 1.00 0.00 N ATOM 674 CA ASP A 47 -8.060 -5.672 3.359 1.00 0.00 C ATOM 675 C ASP A 47 -9.064 -6.825 3.302 1.00 0.00 C ATOM 676 O ASP A 47 -9.635 -7.105 2.249 1.00 0.00 O ATOM 677 CB ASP A 47 -7.915 -5.101 1.947 1.00 0.00 C ATOM 678 CG ASP A 47 -8.859 -3.943 1.616 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.869 -3.812 2.340 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.547 -3.216 0.648 1.00 0.00 O ATOM 0 H ASP A 47 -6.228 -6.670 3.169 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.403 -4.886 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.888 -4.762 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.083 -5.903 1.228 1.00 0.00 H new ATOM 684 N ALA A 48 -9.249 -7.464 4.449 1.00 0.00 N ATOM 685 CA ALA A 48 -10.173 -8.580 4.542 1.00 0.00 C ATOM 686 C ALA A 48 -11.536 -8.070 5.014 1.00 0.00 C ATOM 687 O ALA A 48 -12.570 -8.645 4.675 1.00 0.00 O ATOM 688 CB ALA A 48 -9.595 -9.645 5.476 1.00 0.00 C ATOM 0 H ALA A 48 -8.774 -7.229 5.321 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.314 -9.044 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.289 -10.483 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.641 -9.996 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.443 -9.216 6.467 1.00 0.00 H new ATOM 694 N ASN A 49 -11.495 -6.995 5.786 1.00 0.00 N ATOM 695 CA ASN A 49 -12.714 -6.400 6.308 1.00 0.00 C ATOM 696 C ASN A 49 -13.491 -5.751 5.161 1.00 0.00 C ATOM 697 O ASN A 49 -14.653 -5.382 5.324 1.00 0.00 O ATOM 698 CB ASN A 49 -12.400 -5.314 7.340 1.00 0.00 C ATOM 699 CG ASN A 49 -13.079 -5.617 8.678 1.00 0.00 C ATOM 700 OD1 ASN A 49 -12.739 -6.556 9.378 1.00 0.00 O ATOM 701 ND2 ASN A 49 -14.056 -4.771 8.991 1.00 0.00 N ATOM 0 H ASN A 49 -10.636 -6.520 6.063 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.298 -7.189 6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.322 -5.244 7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.736 -4.346 6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.572 -4.888 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.290 -4.005 8.359 1.00 0.00 H new ATOM 707 N GLY A 50 -12.818 -5.632 4.026 1.00 0.00 N ATOM 708 CA GLY A 50 -13.430 -5.034 2.851 1.00 0.00 C ATOM 709 C GLY A 50 -12.592 -5.302 1.600 1.00 0.00 C ATOM 710 O GLY A 50 -12.319 -6.453 1.265 1.00 0.00 O ATOM 0 H GLY A 50 -11.854 -5.940 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.433 -5.437 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.536 -3.959 2.999 1.00 0.00 H new ATOM 714 N ASP A 51 -12.208 -4.218 0.941 1.00 0.00 N ATOM 715 CA ASP A 51 -11.407 -4.322 -0.267 1.00 0.00 C ATOM 716 C ASP A 51 -11.209 -2.927 -0.863 1.00 0.00 C ATOM 717 O ASP A 51 -11.562 -2.684 -2.015 1.00 0.00 O ATOM 718 CB ASP A 51 -12.103 -5.189 -1.317 1.00 0.00 C ATOM 719 CG ASP A 51 -11.163 -6.001 -2.211 1.00 0.00 C ATOM 720 OD1 ASP A 51 -9.956 -5.679 -2.206 1.00 0.00 O ATOM 721 OD2 ASP A 51 -11.675 -6.926 -2.879 1.00 0.00 O ATOM 0 H ASP A 51 -12.437 -3.264 1.221 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.452 -4.775 -0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.780 -5.876 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.716 -4.546 -1.949 1.00 0.00 H new ATOM 725 N GLY A 52 -10.643 -2.046 -0.049 1.00 0.00 N ATOM 726 CA GLY A 52 -10.393 -0.682 -0.482 1.00 0.00 C ATOM 727 C GLY A 52 -8.914 -0.474 -0.819 1.00 0.00 C ATOM 728 O GLY A 52 -8.248 -1.393 -1.295 1.00 0.00 O ATOM 0 H GLY A 52 -10.351 -2.251 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.004 -0.457 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.692 0.013 0.303 1.00 0.00 H new ATOM 732 N TYR A 53 -8.445 0.736 -0.558 1.00 0.00 N ATOM 733 CA TYR A 53 -7.058 1.075 -0.827 1.00 0.00 C ATOM 734 C TYR A 53 -6.412 1.746 0.387 1.00 0.00 C ATOM 735 O TYR A 53 -7.105 2.152 1.319 1.00 0.00 O ATOM 736 CB TYR A 53 -7.085 2.069 -1.990 1.00 0.00 C ATOM 737 CG TYR A 53 -8.228 3.083 -1.916 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.352 3.903 -0.813 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.134 3.178 -2.953 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.428 4.857 -0.744 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.210 4.133 -2.883 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.303 4.926 -1.782 1.00 0.00 C ATOM 743 OH TYR A 53 -11.319 5.827 -1.717 1.00 0.00 O ATOM 0 H TYR A 53 -9.001 1.495 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.481 0.179 -1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.137 2.607 -2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.164 1.516 -2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.642 3.829 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.036 2.537 -3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.538 5.504 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.927 4.217 -3.687 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.864 5.765 -2.529 1.00 0.00 H new ATOM 752 N ILE A 54 -5.092 1.843 0.337 1.00 0.00 N ATOM 753 CA ILE A 54 -4.345 2.459 1.420 1.00 0.00 C ATOM 754 C ILE A 54 -4.008 3.903 1.046 1.00 0.00 C ATOM 755 O ILE A 54 -3.083 4.147 0.273 1.00 0.00 O ATOM 756 CB ILE A 54 -3.119 1.613 1.775 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.344 0.841 3.076 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.857 2.474 1.830 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.077 -0.477 2.812 1.00 0.00 C ATOM 0 H ILE A 54 -4.520 1.505 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.950 2.498 2.326 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.972 0.876 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.385 0.639 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.923 1.451 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.001 1.849 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.691 2.939 0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.978 3.249 2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.224 -1.006 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.045 -0.270 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.484 -1.095 2.138 1.00 0.00 H new ATOM 770 N THR A 55 -4.776 4.822 1.612 1.00 0.00 N ATOM 771 CA THR A 55 -4.570 6.237 1.346 1.00 0.00 C ATOM 772 C THR A 55 -3.703 6.863 2.440 1.00 0.00 C ATOM 773 O THR A 55 -3.812 6.497 3.609 1.00 0.00 O ATOM 774 CB THR A 55 -5.944 6.896 1.208 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.538 6.735 2.494 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.873 6.124 0.270 1.00 0.00 C ATOM 0 H THR A 55 -5.542 4.615 2.253 1.00 0.00 H new ATOM 0 HA THR A 55 -4.025 6.390 0.415 1.00 0.00 H new ATOM 0 HB THR A 55 -5.821 7.915 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.510 6.834 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.834 6.635 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.426 6.071 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.022 5.115 0.655 1.00 0.00 H new ATOM 784 N LEU A 56 -2.861 7.796 2.020 1.00 0.00 N ATOM 785 CA LEU A 56 -1.974 8.476 2.948 1.00 0.00 C ATOM 786 C LEU A 56 -2.717 8.731 4.261 1.00 0.00 C ATOM 787 O LEU A 56 -2.149 8.570 5.341 1.00 0.00 O ATOM 788 CB LEU A 56 -1.401 9.743 2.311 1.00 0.00 C ATOM 789 CG LEU A 56 -0.419 9.528 1.157 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.125 9.656 -0.194 1.00 0.00 C ATOM 791 CD2 LEU A 56 0.777 10.477 1.271 1.00 0.00 C ATOM 0 H LEU A 56 -2.774 8.097 1.049 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.114 7.848 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.230 10.350 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.898 10.321 3.087 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.031 8.511 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.405 9.499 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.915 8.909 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.559 10.652 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.460 10.304 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.427 11.509 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.298 10.295 2.211 1.00 0.00 H new ATOM 802 N GLU A 57 -3.975 9.123 4.127 1.00 0.00 N ATOM 803 CA GLU A 57 -4.802 9.401 5.290 1.00 0.00 C ATOM 804 C GLU A 57 -5.033 8.121 6.095 1.00 0.00 C ATOM 805 O GLU A 57 -4.831 8.101 7.308 1.00 0.00 O ATOM 806 CB GLU A 57 -6.130 10.038 4.878 1.00 0.00 C ATOM 807 CG GLU A 57 -6.925 9.105 3.963 1.00 0.00 C ATOM 808 CD GLU A 57 -8.170 9.805 3.414 1.00 0.00 C ATOM 809 OE1 GLU A 57 -9.116 9.987 4.211 1.00 0.00 O ATOM 810 OE2 GLU A 57 -8.149 10.141 2.211 1.00 0.00 O ATOM 0 H GLU A 57 -4.443 9.255 3.230 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.276 10.115 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.718 10.269 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.941 10.982 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.295 8.776 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.219 8.212 4.515 1.00 0.00 H new ATOM 815 N GLU A 58 -5.453 7.083 5.387 1.00 0.00 N ATOM 816 CA GLU A 58 -5.714 5.801 6.021 1.00 0.00 C ATOM 817 C GLU A 58 -4.404 5.164 6.487 1.00 0.00 C ATOM 818 O GLU A 58 -4.351 4.555 7.555 1.00 0.00 O ATOM 819 CB GLU A 58 -6.473 4.867 5.076 1.00 0.00 C ATOM 820 CG GLU A 58 -6.824 3.551 5.773 1.00 0.00 C ATOM 821 CD GLU A 58 -8.149 2.991 5.249 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.095 2.262 4.235 1.00 0.00 O ATOM 823 OE2 GLU A 58 -9.184 3.303 5.876 1.00 0.00 O ATOM 0 H GLU A 58 -5.619 7.103 4.381 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.344 5.970 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.385 5.355 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.866 4.665 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.028 2.825 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.893 3.712 6.849 1.00 0.00 H new ATOM 828 N PHE A 59 -3.377 5.325 5.665 1.00 0.00 N ATOM 829 CA PHE A 59 -2.072 4.773 5.981 1.00 0.00 C ATOM 830 C PHE A 59 -1.509 5.394 7.261 1.00 0.00 C ATOM 831 O PHE A 59 -0.822 4.724 8.030 1.00 0.00 O ATOM 832 CB PHE A 59 -1.146 5.117 4.811 1.00 0.00 C ATOM 833 CG PHE A 59 -0.145 4.013 4.465 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.539 2.710 4.475 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.137 4.332 4.146 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.390 1.686 4.153 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.066 3.308 3.824 1.00 0.00 C ATOM 838 CZ PHE A 59 1.673 2.006 3.835 1.00 0.00 C ATOM 0 H PHE A 59 -3.423 5.830 4.780 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.151 3.697 6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.753 5.332 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.598 6.028 5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.558 2.455 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.449 5.366 4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.078 0.652 4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.084 3.563 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.380 1.226 3.591 1.00 0.00 H new ATOM 847 N LEU A 60 -1.820 6.667 7.448 1.00 0.00 N ATOM 848 CA LEU A 60 -1.353 7.387 8.622 1.00 0.00 C ATOM 849 C LEU A 60 -2.210 6.997 9.828 1.00 0.00 C ATOM 850 O LEU A 60 -1.689 6.524 10.838 1.00 0.00 O ATOM 851 CB LEU A 60 -1.323 8.892 8.351 1.00 0.00 C ATOM 852 CG LEU A 60 -0.447 9.725 9.290 1.00 0.00 C ATOM 853 CD1 LEU A 60 0.678 10.417 8.519 1.00 0.00 C ATOM 854 CD2 LEU A 60 -1.292 10.720 10.088 1.00 0.00 C ATOM 0 H LEU A 60 -2.390 7.220 6.807 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.326 7.108 8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.979 9.050 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.343 9.272 8.406 1.00 0.00 H new ATOM 0 HG LEU A 60 0.022 9.052 10.008 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.286 11.002 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.302 9.666 8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.250 11.076 7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.646 11.299 10.747 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.807 11.392 9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.026 10.178 10.684 1.00 0.00 H new ATOM 865 N GLU A 61 -3.510 7.208 9.683 1.00 0.00 N ATOM 866 CA GLU A 61 -4.444 6.885 10.748 1.00 0.00 C ATOM 867 C GLU A 61 -4.185 5.469 11.270 1.00 0.00 C ATOM 868 O GLU A 61 -4.262 5.224 12.473 1.00 0.00 O ATOM 869 CB GLU A 61 -5.891 7.038 10.274 1.00 0.00 C ATOM 870 CG GLU A 61 -6.863 6.991 11.454 1.00 0.00 C ATOM 871 CD GLU A 61 -8.225 7.567 11.066 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.235 8.710 10.560 1.00 0.00 O ATOM 873 OE2 GLU A 61 -9.227 6.851 11.284 1.00 0.00 O ATOM 0 H GLU A 61 -3.939 7.599 8.844 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.288 7.588 11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.005 7.982 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.132 6.243 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.982 5.961 11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.451 7.554 12.291 1.00 0.00 H new ATOM 878 N PHE A 62 -3.884 4.577 10.339 1.00 0.00 N ATOM 879 CA PHE A 62 -3.613 3.193 10.689 1.00 0.00 C ATOM 880 C PHE A 62 -2.664 3.106 11.887 1.00 0.00 C ATOM 881 O PHE A 62 -2.936 2.389 12.848 1.00 0.00 O ATOM 882 CB PHE A 62 -2.943 2.546 9.476 1.00 0.00 C ATOM 883 CG PHE A 62 -3.591 1.233 9.033 1.00 0.00 C ATOM 884 CD1 PHE A 62 -4.932 1.175 8.817 1.00 0.00 C ATOM 885 CD2 PHE A 62 -2.825 0.122 8.857 1.00 0.00 C ATOM 886 CE1 PHE A 62 -5.533 -0.044 8.407 1.00 0.00 C ATOM 887 CE2 PHE A 62 -3.426 -1.097 8.446 1.00 0.00 C ATOM 888 CZ PHE A 62 -4.768 -1.154 8.230 1.00 0.00 C ATOM 0 H PHE A 62 -3.822 4.785 9.342 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.542 2.689 10.957 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.966 3.249 8.643 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.894 2.361 9.709 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.540 2.056 8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.760 0.168 9.030 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.598 -0.090 8.236 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.818 -1.978 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.226 -2.081 7.918 1.00 0.00 H new ATOM 897 N SER A 63 -1.571 3.848 11.790 1.00 0.00 N ATOM 898 CA SER A 63 -0.580 3.864 12.853 1.00 0.00 C ATOM 899 C SER A 63 -1.087 4.704 14.027 1.00 0.00 C ATOM 900 O SER A 63 -1.094 4.244 15.168 1.00 0.00 O ATOM 901 CB SER A 63 0.758 4.407 12.351 1.00 0.00 C ATOM 902 OG SER A 63 1.656 4.688 13.421 1.00 0.00 O ATOM 0 H SER A 63 -1.349 4.443 10.992 1.00 0.00 H new ATOM 0 HA SER A 63 -0.422 2.839 13.189 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.213 3.682 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.587 5.315 11.774 1.00 0.00 H new ATOM 0 HG SER A 63 1.896 5.638 13.406 1.00 0.00 H new ATOM 907 N LEU A 64 -1.499 5.922 13.707 1.00 0.00 N ATOM 908 CA LEU A 64 -2.006 6.831 14.722 1.00 0.00 C ATOM 909 C LEU A 64 -2.999 6.087 15.617 1.00 0.00 C ATOM 910 O LEU A 64 -3.006 6.274 16.832 1.00 0.00 O ATOM 911 CB LEU A 64 -2.585 8.089 14.073 1.00 0.00 C ATOM 912 CG LEU A 64 -3.430 8.985 14.981 1.00 0.00 C ATOM 913 CD1 LEU A 64 -2.612 10.171 15.496 1.00 0.00 C ATOM 914 CD2 LEU A 64 -4.709 9.435 14.272 1.00 0.00 C ATOM 0 H LEU A 64 -1.492 6.301 12.760 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.195 7.176 15.364 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.760 8.682 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.197 7.786 13.223 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.733 8.401 15.850 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.236 10.792 16.139 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.758 9.804 16.065 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.259 10.763 14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.291 10.070 14.940 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.449 9.995 13.373 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.299 8.561 13.997 1.00 0.00 H new TER 925 LEU A 64 HETATM 926 LA LA A 226 -3.591 4.690 -7.353 1.00 0.00 LA