USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 60 MET CE :methyl -136:sc= -0.0189 (180deg=0) USER MOD Set 1.2: A 84 CYS SG : rot 60:sc= -0.014 USER MOD Single : A 1 MET CE :methyl 150:sc= -0.623 (180deg=-2.75!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 142:sc= -0.305 (180deg=-2.16!) USER MOD Single : A 11 GLN : amide:sc= 0.00236 X(o=0.0024,f=-0.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 16 GLN : amide:sc= -4.23! C(o=-4.2!,f=-6.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -20:sc= -1.92! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 154:sc= -2.08! (180deg=-2.77!) USER MOD Single : A 47 MET CE :methyl -137:sc=-0.00803 (180deg=-2.06!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.316 F(o=-0.98,f=-0.32) USER MOD Single : A 51 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 53 THR OG1 : rot 170:sc= -0.592! USER MOD Single : A 58 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.4!) USER MOD Single : A 69 SER OG : rot -56:sc= 0.703 USER MOD Single : A 71 THR OG1 : rot 39:sc= -0.739! USER MOD Single : A 80 MET CE :methyl -171:sc= -1.56 (180deg=-1.67) USER MOD Single : A 81 MET CE :methyl -135:sc= -1.7 (180deg=-4.68!) USER MOD Single : A 85 MET CE :methyl 151:sc= -0.0897 (180deg=-0.941) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 89.017 10.286 3.703 1.00 0.00 N ATOM 2 CA MET A 1 88.201 9.282 4.444 1.00 0.00 C ATOM 3 C MET A 1 88.100 7.984 3.638 1.00 0.00 C ATOM 4 O MET A 1 88.082 7.996 2.423 1.00 0.00 O ATOM 5 CB MET A 1 86.824 9.926 4.599 1.00 0.00 C ATOM 6 CG MET A 1 86.470 10.027 6.084 1.00 0.00 C ATOM 7 SD MET A 1 84.742 9.548 6.328 1.00 0.00 S ATOM 8 CE MET A 1 84.859 7.897 5.595 1.00 0.00 C ATOM 0 H1 MET A 1 89.078 11.162 4.260 1.00 0.00 H new ATOM 0 H2 MET A 1 89.973 9.908 3.545 1.00 0.00 H new ATOM 0 H3 MET A 1 88.569 10.489 2.786 1.00 0.00 H new ATOM 0 HA MET A 1 88.640 9.024 5.408 1.00 0.00 H new ATOM 0 HB2 MET A 1 86.822 10.917 4.146 1.00 0.00 H new ATOM 0 HB3 MET A 1 86.073 9.334 4.075 1.00 0.00 H new ATOM 0 HG2 MET A 1 87.124 9.380 6.669 1.00 0.00 H new ATOM 0 HG3 MET A 1 86.629 11.045 6.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.138 7.234 6.074 1.00 0.00 H new ATOM 0 HE2 MET A 1 84.644 7.957 4.528 1.00 0.00 H new ATOM 0 HE3 MET A 1 85.865 7.504 5.741 1.00 0.00 H new ATOM 20 N ASP A 2 88.032 6.864 4.304 1.00 0.00 N ATOM 21 CA ASP A 2 87.932 5.568 3.574 1.00 0.00 C ATOM 22 C ASP A 2 86.477 5.095 3.532 1.00 0.00 C ATOM 23 O ASP A 2 85.796 5.062 4.538 1.00 0.00 O ATOM 24 CB ASP A 2 88.791 4.591 4.378 1.00 0.00 C ATOM 25 CG ASP A 2 90.167 4.460 3.721 1.00 0.00 C ATOM 26 OD1 ASP A 2 90.591 5.412 3.086 1.00 0.00 O ATOM 27 OD2 ASP A 2 90.773 3.411 3.865 1.00 0.00 O ATOM 0 H ASP A 2 88.041 6.790 5.321 1.00 0.00 H new ATOM 0 HA ASP A 2 88.269 5.650 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 2 88.898 4.944 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 2 88.305 3.617 4.425 1.00 0.00 H new ATOM 32 N ASP A 3 85.995 4.730 2.376 1.00 0.00 N ATOM 33 CA ASP A 3 84.584 4.260 2.269 1.00 0.00 C ATOM 34 C ASP A 3 84.374 3.008 3.123 1.00 0.00 C ATOM 35 O ASP A 3 85.143 2.069 3.066 1.00 0.00 O ATOM 36 CB ASP A 3 84.388 3.939 0.787 1.00 0.00 C ATOM 37 CG ASP A 3 82.894 3.794 0.489 1.00 0.00 C ATOM 38 OD1 ASP A 3 82.103 4.300 1.267 1.00 0.00 O ATOM 39 OD2 ASP A 3 82.568 3.179 -0.514 1.00 0.00 O ATOM 0 H ASP A 3 86.517 4.737 1.500 1.00 0.00 H new ATOM 0 HA ASP A 3 83.872 5.005 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 3 84.817 4.731 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 3 84.912 3.018 0.531 1.00 0.00 H new ATOM 44 N ILE A 4 83.336 2.985 3.915 1.00 0.00 N ATOM 45 CA ILE A 4 83.076 1.792 4.771 1.00 0.00 C ATOM 46 C ILE A 4 81.831 1.049 4.274 1.00 0.00 C ATOM 47 O ILE A 4 81.591 -0.088 4.629 1.00 0.00 O ATOM 48 CB ILE A 4 82.846 2.352 6.178 1.00 0.00 C ATOM 49 CG1 ILE A 4 81.457 2.988 6.257 1.00 0.00 C ATOM 50 CG2 ILE A 4 83.907 3.412 6.485 1.00 0.00 C ATOM 51 CD1 ILE A 4 80.459 1.968 6.810 1.00 0.00 C ATOM 0 H ILE A 4 82.657 3.741 4.006 1.00 0.00 H new ATOM 0 HA ILE A 4 83.901 1.080 4.750 1.00 0.00 H new ATOM 0 HB ILE A 4 82.917 1.542 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 4 81.485 3.869 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 4 81.142 3.322 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 4 83.744 3.811 7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 4 84.898 2.961 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 4 83.836 4.220 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 4 79.469 2.421 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 4 80.424 1.100 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 4 80.772 1.656 7.806 1.00 0.00 H new ATOM 63 N TYR A 5 81.040 1.685 3.454 1.00 0.00 N ATOM 64 CA TYR A 5 79.812 1.020 2.932 1.00 0.00 C ATOM 65 C TYR A 5 80.179 0.000 1.851 1.00 0.00 C ATOM 66 O TYR A 5 79.517 -1.003 1.681 1.00 0.00 O ATOM 67 CB TYR A 5 78.971 2.150 2.341 1.00 0.00 C ATOM 68 CG TYR A 5 78.489 3.053 3.452 1.00 0.00 C ATOM 69 CD1 TYR A 5 77.339 2.719 4.177 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.194 4.224 3.755 1.00 0.00 C ATOM 71 CE1 TYR A 5 76.894 3.557 5.206 1.00 0.00 C ATOM 72 CE2 TYR A 5 78.748 5.062 4.784 1.00 0.00 C ATOM 73 CZ TYR A 5 77.598 4.727 5.511 1.00 0.00 C ATOM 74 OH TYR A 5 77.159 5.553 6.526 1.00 0.00 O ATOM 0 H TYR A 5 81.191 2.638 3.122 1.00 0.00 H new ATOM 0 HA TYR A 5 79.275 0.476 3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.562 2.721 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 5 78.120 1.739 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 5 76.796 1.816 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.081 4.481 3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 5 76.006 3.300 5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 5 79.290 5.966 5.017 1.00 0.00 H new ATOM 0 HH TYR A 5 77.762 6.321 6.607 1.00 0.00 H new ATOM 84 N LYS A 6 81.230 0.248 1.118 1.00 0.00 N ATOM 85 CA LYS A 6 81.635 -0.711 0.050 1.00 0.00 C ATOM 86 C LYS A 6 81.567 -2.147 0.577 1.00 0.00 C ATOM 87 O LYS A 6 81.330 -3.079 -0.164 1.00 0.00 O ATOM 88 CB LYS A 6 83.074 -0.332 -0.300 1.00 0.00 C ATOM 89 CG LYS A 6 83.105 0.336 -1.676 1.00 0.00 C ATOM 90 CD LYS A 6 84.504 0.201 -2.278 1.00 0.00 C ATOM 91 CE LYS A 6 84.442 -0.693 -3.518 1.00 0.00 C ATOM 92 NZ LYS A 6 83.439 -0.044 -4.407 1.00 0.00 N ATOM 0 H LYS A 6 81.825 1.071 1.212 1.00 0.00 H new ATOM 0 HA LYS A 6 80.980 -0.662 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 6 83.477 0.345 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.705 -1.220 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 6 82.369 -0.127 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 6 82.836 1.389 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 6 84.893 1.184 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 6 85.188 -0.225 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 6 85.415 -0.762 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 6 84.142 -1.708 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 83.749 -0.123 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 82.519 -0.515 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 83.348 0.960 -4.152 1.00 0.00 H new ATOM 106 N ALA A 7 81.769 -2.330 1.853 1.00 0.00 N ATOM 107 CA ALA A 7 81.713 -3.706 2.426 1.00 0.00 C ATOM 108 C ALA A 7 80.256 -4.148 2.587 1.00 0.00 C ATOM 109 O ALA A 7 79.954 -5.324 2.628 1.00 0.00 O ATOM 110 CB ALA A 7 82.395 -3.596 3.789 1.00 0.00 C ATOM 0 H ALA A 7 81.970 -1.588 2.523 1.00 0.00 H new ATOM 0 HA ALA A 7 82.201 -4.442 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.394 -4.571 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.423 -3.258 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 7 81.855 -2.880 4.409 1.00 0.00 H new ATOM 116 N ALA A 8 79.353 -3.211 2.677 1.00 0.00 N ATOM 117 CA ALA A 8 77.915 -3.573 2.832 1.00 0.00 C ATOM 118 C ALA A 8 77.492 -4.544 1.728 1.00 0.00 C ATOM 119 O ALA A 8 76.829 -5.532 1.976 1.00 0.00 O ATOM 120 CB ALA A 8 77.158 -2.252 2.699 1.00 0.00 C ATOM 0 H ALA A 8 79.548 -2.210 2.650 1.00 0.00 H new ATOM 0 HA ALA A 8 77.714 -4.066 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.088 -2.434 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 8 77.486 -1.565 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.359 -1.814 1.721 1.00 0.00 H new ATOM 126 N VAL A 9 77.868 -4.268 0.510 1.00 0.00 N ATOM 127 CA VAL A 9 77.486 -5.173 -0.612 1.00 0.00 C ATOM 128 C VAL A 9 78.441 -6.368 -0.677 1.00 0.00 C ATOM 129 O VAL A 9 78.044 -7.477 -0.971 1.00 0.00 O ATOM 130 CB VAL A 9 77.612 -4.315 -1.870 1.00 0.00 C ATOM 131 CG1 VAL A 9 77.041 -5.075 -3.069 1.00 0.00 C ATOM 132 CG2 VAL A 9 76.834 -3.012 -1.677 1.00 0.00 C ATOM 0 H VAL A 9 78.423 -3.455 0.242 1.00 0.00 H new ATOM 0 HA VAL A 9 76.481 -5.578 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 9 78.663 -4.090 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 9 77.132 -4.462 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 9 77.594 -6.004 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.990 -5.302 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.923 -2.399 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.783 -3.239 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 9 77.240 -2.468 -0.824 1.00 0.00 H new ATOM 142 N GLU A 10 79.698 -6.148 -0.403 1.00 0.00 N ATOM 143 CA GLU A 10 80.676 -7.273 -0.449 1.00 0.00 C ATOM 144 C GLU A 10 80.115 -8.489 0.292 1.00 0.00 C ATOM 145 O GLU A 10 80.169 -9.602 -0.192 1.00 0.00 O ATOM 146 CB GLU A 10 81.924 -6.742 0.256 1.00 0.00 C ATOM 147 CG GLU A 10 83.141 -6.929 -0.653 1.00 0.00 C ATOM 148 CD GLU A 10 84.314 -7.467 0.168 1.00 0.00 C ATOM 149 OE1 GLU A 10 84.202 -7.487 1.383 1.00 0.00 O ATOM 150 OE2 GLU A 10 85.305 -7.848 -0.433 1.00 0.00 O ATOM 0 H GLU A 10 80.090 -5.241 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 10 80.891 -7.594 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.797 -5.687 0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.075 -7.270 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.902 -7.620 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.412 -5.980 -1.115 1.00 0.00 H new ATOM 157 N GLN A 11 79.576 -8.284 1.463 1.00 0.00 N ATOM 158 CA GLN A 11 79.009 -9.429 2.233 1.00 0.00 C ATOM 159 C GLN A 11 77.817 -10.027 1.483 1.00 0.00 C ATOM 160 O GLN A 11 77.496 -11.190 1.634 1.00 0.00 O ATOM 161 CB GLN A 11 78.558 -8.824 3.563 1.00 0.00 C ATOM 162 CG GLN A 11 79.545 -9.217 4.665 1.00 0.00 C ATOM 163 CD GLN A 11 80.933 -8.666 4.329 1.00 0.00 C ATOM 164 OE1 GLN A 11 81.917 -9.373 4.416 1.00 0.00 O ATOM 165 NE2 GLN A 11 81.053 -7.425 3.944 1.00 0.00 N ATOM 0 H GLN A 11 79.504 -7.375 1.920 1.00 0.00 H new ATOM 0 HA GLN A 11 79.731 -10.233 2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 11 78.502 -7.739 3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 11 77.557 -9.176 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 11 79.209 -8.825 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.586 -10.302 4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.227 -6.832 3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 11 81.973 -7.048 3.716 1.00 0.00 H new ATOM 174 N LEU A 12 77.159 -9.241 0.677 1.00 0.00 N ATOM 175 CA LEU A 12 75.988 -9.763 -0.085 1.00 0.00 C ATOM 176 C LEU A 12 76.461 -10.525 -1.325 1.00 0.00 C ATOM 177 O LEU A 12 77.509 -10.247 -1.872 1.00 0.00 O ATOM 178 CB LEU A 12 75.193 -8.521 -0.490 1.00 0.00 C ATOM 179 CG LEU A 12 74.716 -7.788 0.764 1.00 0.00 C ATOM 180 CD1 LEU A 12 74.230 -6.388 0.386 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.565 -8.570 1.402 1.00 0.00 C ATOM 0 H LEU A 12 77.381 -8.259 0.512 1.00 0.00 H new ATOM 0 HA LEU A 12 75.388 -10.457 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.814 -7.861 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.339 -8.807 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 12 75.541 -7.706 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.890 -5.867 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 12 75.047 -5.830 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 12 73.405 -6.468 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.223 -8.049 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.742 -8.650 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 12 73.909 -9.568 1.673 1.00 0.00 H new ATOM 193 N THR A 13 75.698 -11.484 -1.771 1.00 0.00 N ATOM 194 CA THR A 13 76.107 -12.262 -2.974 1.00 0.00 C ATOM 195 C THR A 13 75.260 -11.854 -4.182 1.00 0.00 C ATOM 196 O THR A 13 74.204 -11.269 -4.044 1.00 0.00 O ATOM 197 CB THR A 13 75.848 -13.724 -2.607 1.00 0.00 C ATOM 198 OG1 THR A 13 74.503 -13.870 -2.172 1.00 0.00 O ATOM 199 CG2 THR A 13 76.798 -14.144 -1.484 1.00 0.00 C ATOM 0 H THR A 13 74.809 -11.763 -1.355 1.00 0.00 H new ATOM 0 HA THR A 13 77.149 -12.087 -3.244 1.00 0.00 H new ATOM 0 HB THR A 13 76.018 -14.355 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 13 74.335 -14.807 -1.938 1.00 0.00 H new ATOM 0 HG21 THR A 13 76.614 -15.186 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.829 -14.031 -1.818 1.00 0.00 H new ATOM 0 HG23 THR A 13 76.629 -13.515 -0.610 1.00 0.00 H new ATOM 207 N GLU A 14 75.716 -12.157 -5.367 1.00 0.00 N ATOM 208 CA GLU A 14 74.937 -11.786 -6.582 1.00 0.00 C ATOM 209 C GLU A 14 73.482 -12.240 -6.434 1.00 0.00 C ATOM 210 O GLU A 14 72.563 -11.454 -6.547 1.00 0.00 O ATOM 211 CB GLU A 14 75.617 -12.530 -7.731 1.00 0.00 C ATOM 212 CG GLU A 14 74.937 -12.162 -9.052 1.00 0.00 C ATOM 213 CD GLU A 14 75.677 -12.830 -10.212 1.00 0.00 C ATOM 214 OE1 GLU A 14 76.616 -12.235 -10.712 1.00 0.00 O ATOM 215 OE2 GLU A 14 75.291 -13.928 -10.580 1.00 0.00 O ATOM 0 H GLU A 14 76.594 -12.645 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 14 74.919 -10.709 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 14 76.675 -12.271 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 14 75.558 -13.606 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 14 73.895 -12.483 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 14 74.935 -11.080 -9.183 1.00 0.00 H new ATOM 222 N GLU A 15 73.269 -13.502 -6.180 1.00 0.00 N ATOM 223 CA GLU A 15 71.874 -14.005 -6.024 1.00 0.00 C ATOM 224 C GLU A 15 71.105 -13.130 -5.031 1.00 0.00 C ATOM 225 O GLU A 15 69.927 -12.880 -5.190 1.00 0.00 O ATOM 226 CB GLU A 15 72.024 -15.426 -5.480 1.00 0.00 C ATOM 227 CG GLU A 15 71.222 -16.394 -6.353 1.00 0.00 C ATOM 228 CD GLU A 15 69.735 -16.052 -6.258 1.00 0.00 C ATOM 229 OE1 GLU A 15 69.134 -16.383 -5.249 1.00 0.00 O ATOM 230 OE2 GLU A 15 69.221 -15.465 -7.197 1.00 0.00 O ATOM 0 H GLU A 15 73.999 -14.206 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 15 71.320 -13.984 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 15 73.075 -15.714 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.671 -15.471 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 15 71.556 -16.329 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 15 71.392 -17.420 -6.027 1.00 0.00 H new ATOM 237 N GLN A 16 71.764 -12.659 -4.007 1.00 0.00 N ATOM 238 CA GLN A 16 71.069 -11.800 -3.006 1.00 0.00 C ATOM 239 C GLN A 16 70.410 -10.608 -3.704 1.00 0.00 C ATOM 240 O GLN A 16 69.236 -10.347 -3.533 1.00 0.00 O ATOM 241 CB GLN A 16 72.173 -11.327 -2.059 1.00 0.00 C ATOM 242 CG GLN A 16 71.733 -11.550 -0.611 1.00 0.00 C ATOM 243 CD GLN A 16 70.820 -10.404 -0.171 1.00 0.00 C ATOM 244 OE1 GLN A 16 71.233 -9.262 -0.136 1.00 0.00 O ATOM 245 NE2 GLN A 16 69.588 -10.662 0.168 1.00 0.00 N ATOM 0 H GLN A 16 72.752 -12.832 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 16 70.280 -12.333 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 16 73.096 -11.872 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 16 72.384 -10.271 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 16 71.208 -12.501 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.605 -11.605 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 16 69.241 -11.621 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 16 68.971 -9.905 0.463 1.00 0.00 H new ATOM 254 N LYS A 17 71.157 -9.881 -4.490 1.00 0.00 N ATOM 255 CA LYS A 17 70.572 -8.706 -5.198 1.00 0.00 C ATOM 256 C LYS A 17 69.286 -9.113 -5.923 1.00 0.00 C ATOM 257 O LYS A 17 68.410 -8.303 -6.156 1.00 0.00 O ATOM 258 CB LYS A 17 71.641 -8.277 -6.202 1.00 0.00 C ATOM 259 CG LYS A 17 72.879 -7.783 -5.451 1.00 0.00 C ATOM 260 CD LYS A 17 73.829 -7.092 -6.429 1.00 0.00 C ATOM 261 CE LYS A 17 74.913 -6.345 -5.649 1.00 0.00 C ATOM 262 NZ LYS A 17 76.033 -6.171 -6.616 1.00 0.00 N ATOM 0 H LYS A 17 72.146 -10.050 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 17 70.309 -7.899 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 17 71.905 -9.114 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 17 71.254 -7.487 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.586 -7.090 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.383 -8.621 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.285 -7.828 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.275 -6.396 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 17 74.549 -5.383 -5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 17 75.231 -6.912 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 76.816 -5.666 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 76.364 -7.104 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 75.702 -5.622 -7.435 1.00 0.00 H new ATOM 276 N ASN A 18 69.166 -10.362 -6.282 1.00 0.00 N ATOM 277 CA ASN A 18 67.936 -10.819 -6.993 1.00 0.00 C ATOM 278 C ASN A 18 66.714 -10.674 -6.081 1.00 0.00 C ATOM 279 O ASN A 18 65.602 -10.505 -6.541 1.00 0.00 O ATOM 280 CB ASN A 18 68.191 -12.290 -7.322 1.00 0.00 C ATOM 281 CG ASN A 18 67.855 -12.551 -8.792 1.00 0.00 C ATOM 282 OD1 ASN A 18 67.049 -11.854 -9.375 1.00 0.00 O ATOM 283 ND2 ASN A 18 68.444 -13.532 -9.419 1.00 0.00 N ATOM 0 H ASN A 18 69.865 -11.086 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 18 67.734 -10.232 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 18 69.233 -12.542 -7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 18 67.583 -12.928 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 18 68.228 -13.714 -10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 18 69.121 -14.117 -8.929 1.00 0.00 H new ATOM 290 N GLU A 19 66.911 -10.740 -4.794 1.00 0.00 N ATOM 291 CA GLU A 19 65.761 -10.604 -3.855 1.00 0.00 C ATOM 292 C GLU A 19 65.303 -9.144 -3.789 1.00 0.00 C ATOM 293 O GLU A 19 64.136 -8.841 -3.938 1.00 0.00 O ATOM 294 CB GLU A 19 66.300 -11.060 -2.498 1.00 0.00 C ATOM 295 CG GLU A 19 65.237 -10.830 -1.423 1.00 0.00 C ATOM 296 CD GLU A 19 65.408 -11.864 -0.307 1.00 0.00 C ATOM 297 OE1 GLU A 19 66.253 -12.732 -0.456 1.00 0.00 O ATOM 298 OE2 GLU A 19 64.691 -11.770 0.675 1.00 0.00 O ATOM 0 H GLU A 19 67.819 -10.882 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 19 64.899 -11.193 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.570 -12.115 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 19 67.207 -10.508 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 19 65.327 -9.823 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.241 -10.910 -1.858 1.00 0.00 H new ATOM 305 N PHE A 20 66.215 -8.237 -3.568 1.00 0.00 N ATOM 306 CA PHE A 20 65.833 -6.798 -3.494 1.00 0.00 C ATOM 307 C PHE A 20 65.472 -6.276 -4.889 1.00 0.00 C ATOM 308 O PHE A 20 64.768 -5.297 -5.034 1.00 0.00 O ATOM 309 CB PHE A 20 67.077 -6.086 -2.962 1.00 0.00 C ATOM 310 CG PHE A 20 66.888 -5.765 -1.498 1.00 0.00 C ATOM 311 CD1 PHE A 20 65.669 -5.245 -1.048 1.00 0.00 C ATOM 312 CD2 PHE A 20 67.933 -5.988 -0.594 1.00 0.00 C ATOM 313 CE1 PHE A 20 65.495 -4.946 0.310 1.00 0.00 C ATOM 314 CE2 PHE A 20 67.758 -5.690 0.763 1.00 0.00 C ATOM 315 CZ PHE A 20 66.540 -5.169 1.214 1.00 0.00 C ATOM 0 H PHE A 20 67.208 -8.430 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 20 64.964 -6.632 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 20 67.955 -6.717 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.254 -5.170 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 20 64.863 -5.074 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 20 68.873 -6.389 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 20 64.555 -4.544 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 20 68.563 -5.862 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 20 66.406 -4.939 2.261 1.00 0.00 H new ATOM 325 N LYS A 21 65.955 -6.922 -5.914 1.00 0.00 N ATOM 326 CA LYS A 21 65.645 -6.465 -7.299 1.00 0.00 C ATOM 327 C LYS A 21 64.186 -6.771 -7.650 1.00 0.00 C ATOM 328 O LYS A 21 63.512 -5.983 -8.284 1.00 0.00 O ATOM 329 CB LYS A 21 66.588 -7.265 -8.198 1.00 0.00 C ATOM 330 CG LYS A 21 66.300 -6.937 -9.664 1.00 0.00 C ATOM 331 CD LYS A 21 67.580 -6.439 -10.337 1.00 0.00 C ATOM 332 CE LYS A 21 68.313 -7.618 -10.979 1.00 0.00 C ATOM 333 NZ LYS A 21 69.649 -7.644 -10.319 1.00 0.00 N ATOM 0 H LYS A 21 66.551 -7.747 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 21 65.779 -5.390 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 21 67.624 -7.027 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.457 -8.333 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.927 -7.822 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 21 65.522 -6.177 -9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 21 67.339 -5.692 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 21 68.223 -5.953 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 21 67.775 -8.552 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 21 68.407 -7.485 -12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 70.212 -8.427 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 70.140 -6.744 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 69.528 -7.778 -9.295 1.00 0.00 H new ATOM 347 N ALA A 22 63.696 -7.910 -7.247 1.00 0.00 N ATOM 348 CA ALA A 22 62.283 -8.270 -7.561 1.00 0.00 C ATOM 349 C ALA A 22 61.316 -7.348 -6.813 1.00 0.00 C ATOM 350 O ALA A 22 60.210 -7.103 -7.254 1.00 0.00 O ATOM 351 CB ALA A 22 62.127 -9.713 -7.083 1.00 0.00 C ATOM 0 H ALA A 22 64.213 -8.609 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 22 62.059 -8.164 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.110 -10.053 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 62.832 -10.351 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.327 -9.765 -6.013 1.00 0.00 H new ATOM 357 N ALA A 23 61.721 -6.835 -5.684 1.00 0.00 N ATOM 358 CA ALA A 23 60.820 -5.933 -4.909 1.00 0.00 C ATOM 359 C ALA A 23 61.167 -4.468 -5.187 1.00 0.00 C ATOM 360 O ALA A 23 60.524 -3.564 -4.695 1.00 0.00 O ATOM 361 CB ALA A 23 61.083 -6.274 -3.444 1.00 0.00 C ATOM 0 H ALA A 23 62.636 -7.001 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 23 59.773 -6.068 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 23 60.456 -5.650 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 23 60.849 -7.324 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.132 -6.091 -3.211 1.00 0.00 H new ATOM 367 N PHE A 24 62.183 -4.229 -5.969 1.00 0.00 N ATOM 368 CA PHE A 24 62.575 -2.824 -6.273 1.00 0.00 C ATOM 369 C PHE A 24 62.017 -2.397 -7.634 1.00 0.00 C ATOM 370 O PHE A 24 61.298 -1.423 -7.743 1.00 0.00 O ATOM 371 CB PHE A 24 64.102 -2.844 -6.300 1.00 0.00 C ATOM 372 CG PHE A 24 64.617 -1.467 -6.639 1.00 0.00 C ATOM 373 CD1 PHE A 24 64.818 -1.106 -7.975 1.00 0.00 C ATOM 374 CD2 PHE A 24 64.891 -0.553 -5.616 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.296 0.172 -8.290 1.00 0.00 C ATOM 376 CE2 PHE A 24 65.369 0.725 -5.930 1.00 0.00 C ATOM 377 CZ PHE A 24 65.572 1.088 -7.268 1.00 0.00 C ATOM 0 H PHE A 24 62.759 -4.946 -6.411 1.00 0.00 H new ATOM 0 HA PHE A 24 62.186 -2.117 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 24 64.489 -3.161 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 24 64.454 -3.567 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.605 -1.813 -8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 24 64.734 -0.833 -4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.452 0.451 -9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 24 65.581 1.431 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 24 65.941 2.074 -7.511 1.00 0.00 H new ATOM 387 N ASP A 25 62.343 -3.116 -8.673 1.00 0.00 N ATOM 388 CA ASP A 25 61.834 -2.748 -10.027 1.00 0.00 C ATOM 389 C ASP A 25 60.311 -2.590 -9.999 1.00 0.00 C ATOM 390 O ASP A 25 59.728 -1.948 -10.849 1.00 0.00 O ATOM 391 CB ASP A 25 62.234 -3.914 -10.931 1.00 0.00 C ATOM 392 CG ASP A 25 61.947 -3.552 -12.389 1.00 0.00 C ATOM 393 OD1 ASP A 25 61.763 -2.378 -12.663 1.00 0.00 O ATOM 394 OD2 ASP A 25 61.914 -4.456 -13.208 1.00 0.00 O ATOM 0 H ASP A 25 62.940 -3.943 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 25 62.244 -1.800 -10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 25 63.293 -4.140 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.680 -4.811 -10.652 1.00 0.00 H new ATOM 399 N ILE A 26 59.661 -3.174 -9.029 1.00 0.00 N ATOM 400 CA ILE A 26 58.176 -3.058 -8.951 1.00 0.00 C ATOM 401 C ILE A 26 57.778 -1.736 -8.289 1.00 0.00 C ATOM 402 O ILE A 26 56.632 -1.524 -7.945 1.00 0.00 O ATOM 403 CB ILE A 26 57.734 -4.243 -8.096 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.253 -5.538 -8.731 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.205 -4.275 -8.026 1.00 0.00 C ATOM 406 CD1 ILE A 26 57.503 -6.736 -8.147 1.00 0.00 C ATOM 0 H ILE A 26 60.093 -3.726 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 26 57.709 -3.068 -9.936 1.00 0.00 H new ATOM 0 HB ILE A 26 58.136 -4.146 -7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 26 58.118 -5.504 -9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.322 -5.641 -8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 55.886 -5.120 -7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 26 55.842 -3.349 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 26 55.797 -4.379 -9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 26 57.875 -7.655 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 26 57.661 -6.774 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.438 -6.634 -8.354 1.00 0.00 H new ATOM 418 N PHE A 27 58.715 -0.845 -8.107 1.00 0.00 N ATOM 419 CA PHE A 27 58.386 0.462 -7.467 1.00 0.00 C ATOM 420 C PHE A 27 59.357 1.543 -7.946 1.00 0.00 C ATOM 421 O PHE A 27 59.709 2.444 -7.209 1.00 0.00 O ATOM 422 CB PHE A 27 58.548 0.219 -5.967 1.00 0.00 C ATOM 423 CG PHE A 27 57.486 -0.742 -5.492 1.00 0.00 C ATOM 424 CD1 PHE A 27 56.161 -0.310 -5.356 1.00 0.00 C ATOM 425 CD2 PHE A 27 57.824 -2.065 -5.187 1.00 0.00 C ATOM 426 CE1 PHE A 27 55.175 -1.201 -4.916 1.00 0.00 C ATOM 427 CE2 PHE A 27 56.838 -2.957 -4.746 1.00 0.00 C ATOM 428 CZ PHE A 27 55.514 -2.524 -4.611 1.00 0.00 C ATOM 0 H PHE A 27 59.692 -0.965 -8.373 1.00 0.00 H new ATOM 0 HA PHE A 27 57.382 0.805 -7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 27 59.538 -0.186 -5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 27 58.469 1.161 -5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.900 0.711 -5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 27 58.846 -2.399 -5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.153 -0.867 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 27 57.099 -3.978 -4.510 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.753 -3.211 -4.271 1.00 0.00 H new ATOM 438 N VAL A 28 59.793 1.464 -9.173 1.00 0.00 N ATOM 439 CA VAL A 28 60.741 2.491 -9.694 1.00 0.00 C ATOM 440 C VAL A 28 59.975 3.730 -10.164 1.00 0.00 C ATOM 441 O VAL A 28 60.555 4.689 -10.632 1.00 0.00 O ATOM 442 CB VAL A 28 61.455 1.807 -10.867 1.00 0.00 C ATOM 443 CG1 VAL A 28 61.971 2.858 -11.856 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.634 0.991 -10.336 1.00 0.00 C ATOM 0 H VAL A 28 59.535 0.734 -9.837 1.00 0.00 H new ATOM 0 HA VAL A 28 61.445 2.832 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 28 60.751 1.151 -11.379 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.476 2.361 -12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.133 3.440 -12.239 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.672 3.521 -11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.143 0.504 -11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 28 63.331 1.652 -9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 28 62.269 0.235 -9.641 1.00 0.00 H new ATOM 454 N LEU A 29 58.683 3.710 -10.037 1.00 0.00 N ATOM 455 CA LEU A 29 57.863 4.879 -10.471 1.00 0.00 C ATOM 456 C LEU A 29 58.415 5.469 -11.772 1.00 0.00 C ATOM 457 O LEU A 29 58.277 6.646 -12.038 1.00 0.00 O ATOM 458 CB LEU A 29 57.980 5.891 -9.331 1.00 0.00 C ATOM 459 CG LEU A 29 56.620 6.053 -8.650 1.00 0.00 C ATOM 460 CD1 LEU A 29 56.721 5.597 -7.193 1.00 0.00 C ATOM 461 CD2 LEU A 29 56.201 7.524 -8.695 1.00 0.00 C ATOM 0 H LEU A 29 58.151 2.931 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 29 56.827 4.602 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 29 58.723 5.555 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 58.322 6.851 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 29 55.878 5.446 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 29 55.752 5.712 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 29 57.021 4.550 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 29 57.462 6.204 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 29 55.232 7.641 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 29 56.943 8.130 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 29 56.129 7.850 -9.733 1.00 0.00 H new ATOM 473 N GLY A 30 59.041 4.661 -12.584 1.00 0.00 N ATOM 474 CA GLY A 30 59.600 5.179 -13.864 1.00 0.00 C ATOM 475 C GLY A 30 60.320 6.504 -13.605 1.00 0.00 C ATOM 476 O GLY A 30 60.148 7.467 -14.326 1.00 0.00 O ATOM 0 H GLY A 30 59.189 3.666 -12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.292 4.454 -14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 30 58.801 5.323 -14.591 1.00 0.00 H new ATOM 480 N ALA A 31 61.125 6.562 -12.579 1.00 0.00 N ATOM 481 CA ALA A 31 61.854 7.825 -12.272 1.00 0.00 C ATOM 482 C ALA A 31 63.075 7.969 -13.183 1.00 0.00 C ATOM 483 O ALA A 31 63.084 7.500 -14.304 1.00 0.00 O ATOM 484 CB ALA A 31 62.288 7.688 -10.812 1.00 0.00 C ATOM 0 H ALA A 31 61.309 5.789 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 31 61.234 8.707 -12.432 1.00 0.00 H new ATOM 0 HB1 ALA A 31 62.833 8.582 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 61.408 7.569 -10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 31 62.933 6.816 -10.704 1.00 0.00 H new ATOM 490 N GLU A 32 64.108 8.614 -12.710 1.00 0.00 N ATOM 491 CA GLU A 32 65.328 8.789 -13.550 1.00 0.00 C ATOM 492 C GLU A 32 65.709 7.465 -14.218 1.00 0.00 C ATOM 493 O GLU A 32 65.488 7.267 -15.397 1.00 0.00 O ATOM 494 CB GLU A 32 66.419 9.232 -12.576 1.00 0.00 C ATOM 495 CG GLU A 32 66.732 10.713 -12.800 1.00 0.00 C ATOM 496 CD GLU A 32 67.999 10.845 -13.649 1.00 0.00 C ATOM 497 OE1 GLU A 32 67.884 10.790 -14.862 1.00 0.00 O ATOM 498 OE2 GLU A 32 69.062 10.998 -13.070 1.00 0.00 O ATOM 0 H GLU A 32 64.160 9.027 -11.779 1.00 0.00 H new ATOM 0 HA GLU A 32 65.176 9.514 -14.350 1.00 0.00 H new ATOM 0 HB2 GLU A 32 66.092 9.070 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 32 67.318 8.633 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 32 65.895 11.201 -13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 32 66.869 11.215 -11.842 1.00 0.00 H new ATOM 505 N ASP A 33 66.281 6.558 -13.476 1.00 0.00 N ATOM 506 CA ASP A 33 66.677 5.249 -14.072 1.00 0.00 C ATOM 507 C ASP A 33 66.728 4.166 -12.989 1.00 0.00 C ATOM 508 O ASP A 33 67.721 4.003 -12.308 1.00 0.00 O ATOM 509 CB ASP A 33 68.068 5.486 -14.660 1.00 0.00 C ATOM 510 CG ASP A 33 68.928 6.249 -13.650 1.00 0.00 C ATOM 511 OD1 ASP A 33 69.380 5.632 -12.700 1.00 0.00 O ATOM 512 OD2 ASP A 33 69.120 7.439 -13.844 1.00 0.00 O ATOM 0 H ASP A 33 66.492 6.665 -12.484 1.00 0.00 H new ATOM 0 HA ASP A 33 65.968 4.908 -14.827 1.00 0.00 H new ATOM 0 HB2 ASP A 33 68.537 4.533 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP A 33 67.990 6.052 -15.588 1.00 0.00 H new ATOM 517 N GLY A 34 65.665 3.426 -12.828 1.00 0.00 N ATOM 518 CA GLY A 34 65.654 2.354 -11.791 1.00 0.00 C ATOM 519 C GLY A 34 65.808 2.981 -10.405 1.00 0.00 C ATOM 520 O GLY A 34 66.609 2.546 -9.602 1.00 0.00 O ATOM 0 H GLY A 34 64.805 3.517 -13.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 64.722 1.791 -11.845 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.464 1.648 -11.974 1.00 0.00 H new ATOM 524 N CYS A 35 65.046 4.000 -10.115 1.00 0.00 N ATOM 525 CA CYS A 35 65.150 4.654 -8.779 1.00 0.00 C ATOM 526 C CYS A 35 63.762 4.793 -8.147 1.00 0.00 C ATOM 527 O CYS A 35 62.763 4.863 -8.834 1.00 0.00 O ATOM 528 CB CYS A 35 65.753 6.031 -9.059 1.00 0.00 C ATOM 529 SG CYS A 35 67.265 5.843 -10.035 1.00 0.00 S ATOM 0 H CYS A 35 64.356 4.408 -10.745 1.00 0.00 H new ATOM 0 HA CYS A 35 65.758 4.076 -8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.036 6.651 -9.597 1.00 0.00 H new ATOM 0 HB3 CYS A 35 65.974 6.540 -8.121 1.00 0.00 H new ATOM 0 HG CYS A 35 67.718 4.632 -9.904 1.00 0.00 H new ATOM 535 N ILE A 36 63.693 4.833 -6.844 1.00 0.00 N ATOM 536 CA ILE A 36 62.367 4.968 -6.174 1.00 0.00 C ATOM 537 C ILE A 36 62.376 6.154 -5.210 1.00 0.00 C ATOM 538 O ILE A 36 63.405 6.740 -4.936 1.00 0.00 O ATOM 539 CB ILE A 36 62.170 3.659 -5.408 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.092 3.633 -4.186 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.501 2.482 -6.323 1.00 0.00 C ATOM 542 CD1 ILE A 36 62.850 2.347 -3.392 1.00 0.00 C ATOM 0 H ILE A 36 64.495 4.778 -6.216 1.00 0.00 H new ATOM 0 HA ILE A 36 61.564 5.147 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 36 61.134 3.584 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.134 3.688 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.904 4.503 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.361 1.548 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.841 2.499 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.537 2.558 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.506 2.328 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 36 61.811 2.312 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.060 1.484 -4.024 1.00 0.00 H new ATOM 554 N SER A 37 61.235 6.510 -4.692 1.00 0.00 N ATOM 555 CA SER A 37 61.170 7.656 -3.742 1.00 0.00 C ATOM 556 C SER A 37 61.326 7.156 -2.305 1.00 0.00 C ATOM 557 O SER A 37 60.696 6.200 -1.900 1.00 0.00 O ATOM 558 CB SER A 37 59.782 8.264 -3.950 1.00 0.00 C ATOM 559 OG SER A 37 59.653 8.690 -5.300 1.00 0.00 O ATOM 0 H SER A 37 60.342 6.056 -4.885 1.00 0.00 H new ATOM 0 HA SER A 37 61.963 8.383 -3.915 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.012 7.530 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.637 9.108 -3.275 1.00 0.00 H new ATOM 0 HG SER A 37 58.764 9.079 -5.437 1.00 0.00 H new ATOM 565 N THR A 38 62.162 7.793 -1.530 1.00 0.00 N ATOM 566 CA THR A 38 62.355 7.349 -0.120 1.00 0.00 C ATOM 567 C THR A 38 61.002 7.013 0.513 1.00 0.00 C ATOM 568 O THR A 38 60.887 6.101 1.308 1.00 0.00 O ATOM 569 CB THR A 38 62.996 8.544 0.587 1.00 0.00 C ATOM 570 OG1 THR A 38 62.381 9.743 0.137 1.00 0.00 O ATOM 571 CG2 THR A 38 64.492 8.584 0.268 1.00 0.00 C ATOM 0 H THR A 38 62.719 8.600 -1.812 1.00 0.00 H new ATOM 0 HA THR A 38 62.973 6.454 -0.047 1.00 0.00 H new ATOM 0 HB THR A 38 62.859 8.447 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.789 10.510 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.949 9.436 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.962 7.663 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.632 8.682 -0.809 1.00 0.00 H new ATOM 579 N LYS A 39 59.975 7.736 0.161 1.00 0.00 N ATOM 580 CA LYS A 39 58.632 7.448 0.739 1.00 0.00 C ATOM 581 C LYS A 39 58.242 5.999 0.444 1.00 0.00 C ATOM 582 O LYS A 39 57.463 5.397 1.156 1.00 0.00 O ATOM 583 CB LYS A 39 57.681 8.417 0.037 1.00 0.00 C ATOM 584 CG LYS A 39 58.146 9.854 0.281 1.00 0.00 C ATOM 585 CD LYS A 39 57.166 10.554 1.225 1.00 0.00 C ATOM 586 CE LYS A 39 56.358 11.593 0.443 1.00 0.00 C ATOM 587 NZ LYS A 39 56.974 12.902 0.797 1.00 0.00 N ATOM 0 H LYS A 39 60.007 8.512 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 39 58.607 7.573 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 39 57.656 8.208 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.666 8.283 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 39 59.147 9.855 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 39 58.206 10.394 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 39 56.496 9.823 1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.709 11.036 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 39 56.411 11.409 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 39 55.304 11.564 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 56.475 13.667 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 56.903 13.053 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 57.975 12.902 0.515 1.00 0.00 H new ATOM 601 N GLU A 40 58.785 5.433 -0.600 1.00 0.00 N ATOM 602 CA GLU A 40 58.455 4.020 -0.942 1.00 0.00 C ATOM 603 C GLU A 40 59.375 3.068 -0.173 1.00 0.00 C ATOM 604 O GLU A 40 59.005 1.957 0.152 1.00 0.00 O ATOM 605 CB GLU A 40 58.703 3.907 -2.447 1.00 0.00 C ATOM 606 CG GLU A 40 57.669 4.747 -3.201 1.00 0.00 C ATOM 607 CD GLU A 40 56.319 4.028 -3.188 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.192 3.035 -3.886 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.436 4.482 -2.480 1.00 0.00 O ATOM 0 H GLU A 40 59.444 5.889 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 40 57.430 3.758 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.710 4.249 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.638 2.865 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.574 5.729 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.996 4.910 -4.228 1.00 0.00 H new ATOM 616 N LEU A 41 60.573 3.499 0.121 1.00 0.00 N ATOM 617 CA LEU A 41 61.517 2.621 0.870 1.00 0.00 C ATOM 618 C LEU A 41 60.801 1.979 2.062 1.00 0.00 C ATOM 619 O LEU A 41 61.175 0.921 2.528 1.00 0.00 O ATOM 620 CB LEU A 41 62.628 3.555 1.357 1.00 0.00 C ATOM 621 CG LEU A 41 63.660 3.764 0.244 1.00 0.00 C ATOM 622 CD1 LEU A 41 64.528 2.514 0.110 1.00 0.00 C ATOM 623 CD2 LEU A 41 62.945 4.029 -1.082 1.00 0.00 C ATOM 0 H LEU A 41 60.938 4.419 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 41 61.906 1.811 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.204 4.514 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 41 63.111 3.131 2.238 1.00 0.00 H new ATOM 0 HG LEU A 41 64.287 4.620 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.262 2.664 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 41 65.044 2.327 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 41 63.899 1.659 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 63.683 4.177 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 41 62.314 3.176 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.328 4.923 -0.990 1.00 0.00 H new ATOM 635 N GLY A 42 59.774 2.613 2.559 1.00 0.00 N ATOM 636 CA GLY A 42 59.033 2.045 3.719 1.00 0.00 C ATOM 637 C GLY A 42 58.362 0.733 3.309 1.00 0.00 C ATOM 638 O GLY A 42 58.830 -0.341 3.634 1.00 0.00 O ATOM 0 H GLY A 42 59.416 3.502 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.717 1.871 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.283 2.755 4.067 1.00 0.00 H new ATOM 642 N LYS A 43 57.270 0.809 2.598 1.00 0.00 N ATOM 643 CA LYS A 43 56.574 -0.439 2.172 1.00 0.00 C ATOM 644 C LYS A 43 57.577 -1.415 1.553 1.00 0.00 C ATOM 645 O LYS A 43 57.412 -2.618 1.623 1.00 0.00 O ATOM 646 CB LYS A 43 55.546 0.010 1.133 1.00 0.00 C ATOM 647 CG LYS A 43 56.258 0.386 -0.168 1.00 0.00 C ATOM 648 CD LYS A 43 55.368 1.323 -0.986 1.00 0.00 C ATOM 649 CE LYS A 43 54.235 0.520 -1.631 1.00 0.00 C ATOM 650 NZ LYS A 43 52.990 1.029 -0.990 1.00 0.00 N ATOM 0 H LYS A 43 56.831 1.678 2.294 1.00 0.00 H new ATOM 0 HA LYS A 43 56.103 -0.955 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 43 54.828 -0.789 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 43 54.982 0.863 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 43 57.209 0.871 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 43 56.484 -0.512 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 43 54.956 2.102 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 43 55.958 1.822 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 43 54.212 0.667 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 43 54.360 -0.549 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 52.168 0.526 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 53.038 0.869 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 52.894 2.047 -1.178 1.00 0.00 H new ATOM 664 N VAL A 44 58.620 -0.910 0.950 1.00 0.00 N ATOM 665 CA VAL A 44 59.632 -1.813 0.334 1.00 0.00 C ATOM 666 C VAL A 44 60.445 -2.510 1.429 1.00 0.00 C ATOM 667 O VAL A 44 60.890 -3.629 1.268 1.00 0.00 O ATOM 668 CB VAL A 44 60.521 -0.893 -0.504 1.00 0.00 C ATOM 669 CG1 VAL A 44 61.844 -1.595 -0.812 1.00 0.00 C ATOM 670 CG2 VAL A 44 59.807 -0.555 -1.815 1.00 0.00 C ATOM 0 H VAL A 44 58.814 0.087 0.858 1.00 0.00 H new ATOM 0 HA VAL A 44 59.180 -2.599 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 44 60.720 0.023 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.475 -0.937 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.353 -1.837 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.649 -2.512 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.438 0.101 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 44 59.608 -1.473 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 44 58.865 -0.052 -1.597 1.00 0.00 H new ATOM 680 N MET A 45 60.639 -1.858 2.542 1.00 0.00 N ATOM 681 CA MET A 45 61.421 -2.483 3.648 1.00 0.00 C ATOM 682 C MET A 45 60.538 -3.463 4.424 1.00 0.00 C ATOM 683 O MET A 45 60.870 -4.621 4.585 1.00 0.00 O ATOM 684 CB MET A 45 61.847 -1.319 4.542 1.00 0.00 C ATOM 685 CG MET A 45 62.989 -0.553 3.873 1.00 0.00 C ATOM 686 SD MET A 45 64.531 -1.484 4.058 1.00 0.00 S ATOM 687 CE MET A 45 65.507 -0.158 4.805 1.00 0.00 C ATOM 0 H MET A 45 60.290 -0.919 2.734 1.00 0.00 H new ATOM 0 HA MET A 45 62.279 -3.047 3.282 1.00 0.00 H new ATOM 0 HB2 MET A 45 61.002 -0.653 4.717 1.00 0.00 H new ATOM 0 HB3 MET A 45 62.166 -1.692 5.515 1.00 0.00 H new ATOM 0 HG2 MET A 45 62.769 -0.400 2.817 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.092 0.434 4.323 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.303 -0.590 5.412 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.944 0.459 4.020 1.00 0.00 H new ATOM 0 HE3 MET A 45 64.864 0.457 5.434 1.00 0.00 H new ATOM 697 N ARG A 46 59.413 -3.008 4.907 1.00 0.00 N ATOM 698 CA ARG A 46 58.509 -3.915 5.671 1.00 0.00 C ATOM 699 C ARG A 46 58.073 -5.087 4.789 1.00 0.00 C ATOM 700 O ARG A 46 57.668 -6.126 5.273 1.00 0.00 O ATOM 701 CB ARG A 46 57.305 -3.051 6.045 1.00 0.00 C ATOM 702 CG ARG A 46 56.503 -2.722 4.784 1.00 0.00 C ATOM 703 CD ARG A 46 55.197 -2.028 5.176 1.00 0.00 C ATOM 704 NE ARG A 46 55.606 -0.930 6.095 1.00 0.00 N ATOM 705 CZ ARG A 46 55.248 -0.964 7.350 1.00 0.00 C ATOM 706 NH1 ARG A 46 54.014 -1.247 7.669 1.00 0.00 N ATOM 707 NH2 ARG A 46 56.124 -0.716 8.286 1.00 0.00 N ATOM 0 H ARG A 46 59.081 -2.049 4.806 1.00 0.00 H new ATOM 0 HA ARG A 46 58.995 -4.339 6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.675 -3.577 6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 46 57.639 -2.132 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.087 -2.077 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 46 56.289 -3.635 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 46 54.679 -1.637 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 46 54.514 -2.721 5.668 1.00 0.00 H new ATOM 0 HE ARG A 46 56.165 -0.152 5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 46 53.330 -1.441 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 46 53.734 -1.274 8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 46 57.088 -0.496 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 46 55.844 -0.743 9.266 1.00 0.00 H new ATOM 721 N MET A 47 58.154 -4.927 3.497 1.00 0.00 N ATOM 722 CA MET A 47 57.745 -6.029 2.581 1.00 0.00 C ATOM 723 C MET A 47 58.658 -7.243 2.772 1.00 0.00 C ATOM 724 O MET A 47 58.217 -8.375 2.738 1.00 0.00 O ATOM 725 CB MET A 47 57.906 -5.453 1.174 1.00 0.00 C ATOM 726 CG MET A 47 56.529 -5.274 0.533 1.00 0.00 C ATOM 727 SD MET A 47 56.659 -4.136 -0.869 1.00 0.00 S ATOM 728 CE MET A 47 57.056 -5.373 -2.128 1.00 0.00 C ATOM 0 H MET A 47 58.486 -4.080 3.036 1.00 0.00 H new ATOM 0 HA MET A 47 56.726 -6.367 2.770 1.00 0.00 H new ATOM 0 HB2 MET A 47 58.425 -4.495 1.219 1.00 0.00 H new ATOM 0 HB3 MET A 47 58.518 -6.119 0.565 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.144 -6.237 0.199 1.00 0.00 H new ATOM 0 HG3 MET A 47 55.822 -4.885 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 47 57.852 -4.996 -2.770 1.00 0.00 H new ATOM 0 HE2 MET A 47 57.384 -6.293 -1.644 1.00 0.00 H new ATOM 0 HE3 MET A 47 56.171 -5.576 -2.730 1.00 0.00 H new ATOM 738 N LEU A 48 59.928 -7.017 2.972 1.00 0.00 N ATOM 739 CA LEU A 48 60.867 -8.160 3.164 1.00 0.00 C ATOM 740 C LEU A 48 60.944 -8.539 4.645 1.00 0.00 C ATOM 741 O LEU A 48 61.224 -9.669 4.991 1.00 0.00 O ATOM 742 CB LEU A 48 62.220 -7.648 2.668 1.00 0.00 C ATOM 743 CG LEU A 48 62.494 -8.204 1.269 1.00 0.00 C ATOM 744 CD1 LEU A 48 62.559 -7.052 0.266 1.00 0.00 C ATOM 745 CD2 LEU A 48 63.829 -8.952 1.272 1.00 0.00 C ATOM 0 H LEU A 48 60.356 -6.092 3.011 1.00 0.00 H new ATOM 0 HA LEU A 48 60.548 -9.052 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.222 -6.558 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.010 -7.954 3.354 1.00 0.00 H new ATOM 0 HG LEU A 48 61.693 -8.887 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 48 62.754 -7.448 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 48 61.609 -6.517 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 48 63.360 -6.369 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.026 -9.349 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.629 -8.268 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.784 -9.773 1.987 1.00 0.00 H new ATOM 757 N GLY A 49 60.697 -7.604 5.521 1.00 0.00 N ATOM 758 CA GLY A 49 60.756 -7.917 6.978 1.00 0.00 C ATOM 759 C GLY A 49 61.563 -6.838 7.702 1.00 0.00 C ATOM 760 O GLY A 49 62.434 -7.130 8.498 1.00 0.00 O ATOM 0 H GLY A 49 60.457 -6.639 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.748 -7.970 7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.215 -8.894 7.132 1.00 0.00 H new ATOM 764 N GLN A 50 61.281 -5.593 7.435 1.00 0.00 N ATOM 765 CA GLN A 50 62.033 -4.496 8.110 1.00 0.00 C ATOM 766 C GLN A 50 61.065 -3.574 8.857 1.00 0.00 C ATOM 767 O GLN A 50 60.033 -3.194 8.342 1.00 0.00 O ATOM 768 CB GLN A 50 62.731 -3.741 6.979 1.00 0.00 C ATOM 769 CG GLN A 50 64.185 -4.208 6.874 1.00 0.00 C ATOM 770 CD GLN A 50 64.227 -5.620 6.285 1.00 0.00 C ATOM 771 OE1 GLN A 50 63.552 -5.881 5.200 1.00 0.00 O flip ATOM 772 NE2 GLN A 50 64.881 -6.493 6.819 1.00 0.00 N flip ATOM 0 H GLN A 50 60.563 -5.287 6.779 1.00 0.00 H new ATOM 0 HA GLN A 50 62.743 -4.873 8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 50 62.213 -3.916 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 50 62.695 -2.668 7.168 1.00 0.00 H new ATOM 0 HG2 GLN A 50 64.753 -3.523 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 50 64.653 -4.199 7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 50 65.409 -6.288 7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 50 64.903 -7.431 6.419 1.00 0.00 H new ATOM 781 N ASN A 51 61.390 -3.214 10.069 1.00 0.00 N ATOM 782 CA ASN A 51 60.488 -2.318 10.847 1.00 0.00 C ATOM 783 C ASN A 51 61.287 -1.173 11.475 1.00 0.00 C ATOM 784 O ASN A 51 61.178 -0.916 12.658 1.00 0.00 O ATOM 785 CB ASN A 51 59.886 -3.211 11.932 1.00 0.00 C ATOM 786 CG ASN A 51 58.872 -4.168 11.302 1.00 0.00 C ATOM 787 OD1 ASN A 51 59.148 -5.338 11.131 1.00 0.00 O ATOM 788 ND2 ASN A 51 57.700 -3.716 10.948 1.00 0.00 N ATOM 0 H ASN A 51 62.240 -3.501 10.554 1.00 0.00 H new ATOM 0 HA ASN A 51 59.721 -1.861 10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 51 60.673 -3.776 12.431 1.00 0.00 H new ATOM 0 HB3 ASN A 51 59.401 -2.600 12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 51 57.016 -4.346 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 51 57.468 -2.733 11.092 1.00 0.00 H new ATOM 795 N PRO A 52 62.067 -0.522 10.656 1.00 0.00 N ATOM 796 CA PRO A 52 62.896 0.611 11.133 1.00 0.00 C ATOM 797 C PRO A 52 62.019 1.839 11.397 1.00 0.00 C ATOM 798 O PRO A 52 60.877 1.897 10.985 1.00 0.00 O ATOM 799 CB PRO A 52 63.853 0.867 9.973 1.00 0.00 C ATOM 800 CG PRO A 52 63.146 0.343 8.763 1.00 0.00 C ATOM 801 CD PRO A 52 62.248 -0.776 9.223 1.00 0.00 C ATOM 0 HA PRO A 52 63.414 0.400 12.068 1.00 0.00 H new ATOM 0 HB2 PRO A 52 64.074 1.929 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.804 0.357 10.126 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.565 1.132 8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.862 -0.017 8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.296 -0.767 8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.702 -1.751 9.045 1.00 0.00 H new ATOM 809 N THR A 53 62.542 2.819 12.080 1.00 0.00 N ATOM 810 CA THR A 53 61.734 4.040 12.368 1.00 0.00 C ATOM 811 C THR A 53 61.837 5.029 11.203 1.00 0.00 C ATOM 812 O THR A 53 62.837 5.076 10.515 1.00 0.00 O ATOM 813 CB THR A 53 62.351 4.635 13.635 1.00 0.00 C ATOM 814 OG1 THR A 53 63.761 4.714 13.481 1.00 0.00 O ATOM 815 CG2 THR A 53 62.015 3.746 14.833 1.00 0.00 C ATOM 0 H THR A 53 63.492 2.829 12.451 1.00 0.00 H new ATOM 0 HA THR A 53 60.676 3.814 12.499 1.00 0.00 H new ATOM 0 HB THR A 53 61.948 5.634 13.802 1.00 0.00 H new ATOM 0 HG1 THR A 53 64.142 5.234 14.219 1.00 0.00 H new ATOM 0 HG21 THR A 53 62.455 4.170 15.736 1.00 0.00 H new ATOM 0 HG22 THR A 53 60.933 3.687 14.950 1.00 0.00 H new ATOM 0 HG23 THR A 53 62.417 2.746 14.669 1.00 0.00 H new ATOM 823 N PRO A 54 60.792 5.789 11.024 1.00 0.00 N ATOM 824 CA PRO A 54 60.754 6.791 9.932 1.00 0.00 C ATOM 825 C PRO A 54 61.658 7.983 10.265 1.00 0.00 C ATOM 826 O PRO A 54 62.250 8.586 9.393 1.00 0.00 O ATOM 827 CB PRO A 54 59.289 7.216 9.887 1.00 0.00 C ATOM 828 CG PRO A 54 58.761 6.936 11.259 1.00 0.00 C ATOM 829 CD PRO A 54 59.557 5.785 11.817 1.00 0.00 C ATOM 0 HA PRO A 54 61.109 6.399 8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.192 8.272 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.739 6.656 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.859 7.815 11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.701 6.687 11.220 1.00 0.00 H new ATOM 0 HD2 PRO A 54 59.764 5.921 12.879 1.00 0.00 H new ATOM 0 HD3 PRO A 54 59.020 4.842 11.715 1.00 0.00 H new ATOM 837 N GLU A 55 61.768 8.326 11.519 1.00 0.00 N ATOM 838 CA GLU A 55 62.633 9.480 11.902 1.00 0.00 C ATOM 839 C GLU A 55 64.097 9.180 11.564 1.00 0.00 C ATOM 840 O GLU A 55 64.839 10.050 11.156 1.00 0.00 O ATOM 841 CB GLU A 55 62.448 9.629 13.412 1.00 0.00 C ATOM 842 CG GLU A 55 61.685 10.923 13.707 1.00 0.00 C ATOM 843 CD GLU A 55 62.619 11.924 14.391 1.00 0.00 C ATOM 844 OE1 GLU A 55 63.310 11.525 15.313 1.00 0.00 O ATOM 845 OE2 GLU A 55 62.624 13.073 13.981 1.00 0.00 O ATOM 0 H GLU A 55 61.298 7.859 12.294 1.00 0.00 H new ATOM 0 HA GLU A 55 62.366 10.392 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 55 61.901 8.773 13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 55 63.418 9.645 13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.296 11.347 12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 55 60.828 10.714 14.347 1.00 0.00 H new ATOM 852 N GLU A 56 64.517 7.956 11.731 1.00 0.00 N ATOM 853 CA GLU A 56 65.932 7.604 11.418 1.00 0.00 C ATOM 854 C GLU A 56 66.131 7.515 9.902 1.00 0.00 C ATOM 855 O GLU A 56 67.241 7.563 9.408 1.00 0.00 O ATOM 856 CB GLU A 56 66.156 6.239 12.070 1.00 0.00 C ATOM 857 CG GLU A 56 66.919 6.419 13.384 1.00 0.00 C ATOM 858 CD GLU A 56 65.969 6.955 14.456 1.00 0.00 C ATOM 859 OE1 GLU A 56 64.789 6.650 14.381 1.00 0.00 O ATOM 860 OE2 GLU A 56 66.437 7.661 15.334 1.00 0.00 O ATOM 0 H GLU A 56 63.942 7.185 12.070 1.00 0.00 H new ATOM 0 HA GLU A 56 66.635 8.351 11.787 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.199 5.752 12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 56 66.717 5.591 11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 56 67.345 5.468 13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 67.751 7.109 13.242 1.00 0.00 H new ATOM 867 N LEU A 57 65.064 7.387 9.162 1.00 0.00 N ATOM 868 CA LEU A 57 65.194 7.295 7.679 1.00 0.00 C ATOM 869 C LEU A 57 65.630 8.645 7.103 1.00 0.00 C ATOM 870 O LEU A 57 66.769 8.827 6.718 1.00 0.00 O ATOM 871 CB LEU A 57 63.796 6.927 7.181 1.00 0.00 C ATOM 872 CG LEU A 57 63.845 5.570 6.479 1.00 0.00 C ATOM 873 CD1 LEU A 57 64.384 4.514 7.447 1.00 0.00 C ATOM 874 CD2 LEU A 57 62.435 5.176 6.032 1.00 0.00 C ATOM 0 H LEU A 57 64.109 7.342 9.519 1.00 0.00 H new ATOM 0 HA LEU A 57 65.941 6.562 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 57 63.098 6.890 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 57 63.430 7.690 6.494 1.00 0.00 H new ATOM 0 HG LEU A 57 64.499 5.635 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 57 64.419 3.546 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 57 65.388 4.793 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 57 63.730 4.450 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 57 62.469 4.208 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 57 61.782 5.111 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 57 62.048 5.927 5.343 1.00 0.00 H new ATOM 886 N GLN A 58 64.734 9.592 7.040 1.00 0.00 N ATOM 887 CA GLN A 58 65.100 10.929 6.489 1.00 0.00 C ATOM 888 C GLN A 58 66.466 11.364 7.025 1.00 0.00 C ATOM 889 O GLN A 58 67.352 11.722 6.275 1.00 0.00 O ATOM 890 CB GLN A 58 64.004 11.874 6.985 1.00 0.00 C ATOM 891 CG GLN A 58 62.823 11.842 6.012 1.00 0.00 C ATOM 892 CD GLN A 58 62.970 12.975 4.993 1.00 0.00 C ATOM 893 OE1 GLN A 58 63.572 13.991 5.279 1.00 0.00 O ATOM 894 NE2 GLN A 58 62.441 12.842 3.808 1.00 0.00 N ATOM 0 H GLN A 58 63.765 9.498 7.346 1.00 0.00 H new ATOM 0 HA GLN A 58 65.172 10.923 5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.676 11.577 7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.394 12.889 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.786 10.881 5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.885 11.949 6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 58 61.936 11.989 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 58 62.533 13.591 3.122 1.00 0.00 H new ATOM 903 N GLU A 59 66.643 11.336 8.317 1.00 0.00 N ATOM 904 CA GLU A 59 67.953 11.747 8.899 1.00 0.00 C ATOM 905 C GLU A 59 69.102 11.081 8.137 1.00 0.00 C ATOM 906 O GLU A 59 70.185 11.620 8.032 1.00 0.00 O ATOM 907 CB GLU A 59 67.916 11.257 10.347 1.00 0.00 C ATOM 908 CG GLU A 59 69.308 11.386 10.967 1.00 0.00 C ATOM 909 CD GLU A 59 69.193 11.358 12.492 1.00 0.00 C ATOM 910 OE1 GLU A 59 69.186 10.272 13.047 1.00 0.00 O ATOM 911 OE2 GLU A 59 69.113 12.424 13.081 1.00 0.00 O ATOM 0 H GLU A 59 65.938 11.047 8.995 1.00 0.00 H new ATOM 0 HA GLU A 59 68.112 12.824 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 59 67.196 11.840 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.586 10.219 10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 59 69.947 10.572 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 59 69.777 12.316 10.644 1.00 0.00 H new ATOM 918 N MET A 60 68.871 9.913 7.603 1.00 0.00 N ATOM 919 CA MET A 60 69.949 9.213 6.847 1.00 0.00 C ATOM 920 C MET A 60 69.868 9.574 5.361 1.00 0.00 C ATOM 921 O MET A 60 70.863 9.863 4.727 1.00 0.00 O ATOM 922 CB MET A 60 69.675 7.723 7.054 1.00 0.00 C ATOM 923 CG MET A 60 70.940 7.036 7.573 1.00 0.00 C ATOM 924 SD MET A 60 70.498 5.858 8.874 1.00 0.00 S ATOM 925 CE MET A 60 70.172 4.442 7.796 1.00 0.00 C ATOM 0 H MET A 60 67.983 9.413 7.657 1.00 0.00 H new ATOM 0 HA MET A 60 70.945 9.494 7.189 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.859 7.588 7.763 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.360 7.267 6.115 1.00 0.00 H new ATOM 0 HG2 MET A 60 71.447 6.520 6.758 1.00 0.00 H new ATOM 0 HG3 MET A 60 71.636 7.779 7.962 1.00 0.00 H new ATOM 0 HE1 MET A 60 69.258 3.943 8.117 1.00 0.00 H new ATOM 0 HE2 MET A 60 70.056 4.786 6.768 1.00 0.00 H new ATOM 0 HE3 MET A 60 71.006 3.742 7.852 1.00 0.00 H new ATOM 935 N ILE A 61 68.688 9.562 4.803 1.00 0.00 N ATOM 936 CA ILE A 61 68.543 9.907 3.359 1.00 0.00 C ATOM 937 C ILE A 61 69.217 11.250 3.068 1.00 0.00 C ATOM 938 O ILE A 61 69.681 11.499 1.973 1.00 0.00 O ATOM 939 CB ILE A 61 67.036 10.002 3.126 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.403 8.624 3.331 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.768 10.478 1.697 1.00 0.00 C ATOM 942 CD1 ILE A 61 64.929 8.787 3.706 1.00 0.00 C ATOM 0 H ILE A 61 67.819 9.329 5.283 1.00 0.00 H new ATOM 0 HA ILE A 61 69.011 9.169 2.707 1.00 0.00 H new ATOM 0 HB ILE A 61 66.603 10.712 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.494 8.032 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 61 66.931 8.083 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.693 10.545 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.220 11.459 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.200 9.769 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.480 7.805 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.850 9.363 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.406 9.310 2.906 1.00 0.00 H new ATOM 954 N ASP A 62 69.275 12.118 4.042 1.00 0.00 N ATOM 955 CA ASP A 62 69.919 13.445 3.821 1.00 0.00 C ATOM 956 C ASP A 62 71.343 13.262 3.287 1.00 0.00 C ATOM 957 O ASP A 62 71.700 13.787 2.251 1.00 0.00 O ATOM 958 CB ASP A 62 69.945 14.102 5.202 1.00 0.00 C ATOM 959 CG ASP A 62 70.268 15.590 5.054 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.362 16.344 4.738 1.00 0.00 O ATOM 961 OD2 ASP A 62 71.415 15.951 5.260 1.00 0.00 O ATOM 0 H ASP A 62 68.905 11.966 4.980 1.00 0.00 H new ATOM 0 HA ASP A 62 69.383 14.049 3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.981 13.976 5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 62 70.691 13.618 5.833 1.00 0.00 H new ATOM 966 N GLU A 63 72.159 12.521 3.987 1.00 0.00 N ATOM 967 CA GLU A 63 73.560 12.308 3.521 1.00 0.00 C ATOM 968 C GLU A 63 73.611 11.193 2.472 1.00 0.00 C ATOM 969 O GLU A 63 74.588 11.040 1.766 1.00 0.00 O ATOM 970 CB GLU A 63 74.335 11.901 4.776 1.00 0.00 C ATOM 971 CG GLU A 63 73.952 10.475 5.175 1.00 0.00 C ATOM 972 CD GLU A 63 74.867 9.999 6.305 1.00 0.00 C ATOM 973 OE1 GLU A 63 75.106 10.776 7.214 1.00 0.00 O ATOM 974 OE2 GLU A 63 75.313 8.865 6.242 1.00 0.00 O ATOM 0 H GLU A 63 71.917 12.054 4.861 1.00 0.00 H new ATOM 0 HA GLU A 63 73.978 13.199 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 63 75.407 11.962 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 74.114 12.590 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 63 72.911 10.443 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 63 74.040 9.809 4.316 1.00 0.00 H new ATOM 981 N VAL A 64 72.570 10.412 2.365 1.00 0.00 N ATOM 982 CA VAL A 64 72.569 9.311 1.359 1.00 0.00 C ATOM 983 C VAL A 64 72.089 9.832 0.001 1.00 0.00 C ATOM 984 O VAL A 64 72.713 9.608 -1.017 1.00 0.00 O ATOM 985 CB VAL A 64 71.593 8.271 1.908 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.578 7.048 0.988 1.00 0.00 C ATOM 987 CG2 VAL A 64 72.038 7.846 3.309 1.00 0.00 C ATOM 0 H VAL A 64 71.723 10.488 2.928 1.00 0.00 H new ATOM 0 HA VAL A 64 73.565 8.895 1.205 1.00 0.00 H new ATOM 0 HB VAL A 64 70.593 8.702 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.882 6.306 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 64 71.264 7.348 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.578 6.617 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 64 71.343 7.104 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.038 7.415 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.051 8.716 3.966 1.00 0.00 H new ATOM 997 N ASP A 65 70.984 10.528 -0.020 1.00 0.00 N ATOM 998 CA ASP A 65 70.465 11.063 -1.312 1.00 0.00 C ATOM 999 C ASP A 65 71.270 12.294 -1.738 1.00 0.00 C ATOM 1000 O ASP A 65 70.829 13.417 -1.591 1.00 0.00 O ATOM 1001 CB ASP A 65 69.012 11.444 -1.028 1.00 0.00 C ATOM 1002 CG ASP A 65 68.080 10.404 -1.650 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.577 9.384 -2.098 1.00 0.00 O ATOM 1004 OD2 ASP A 65 66.884 10.646 -1.669 1.00 0.00 O ATOM 0 H ASP A 65 70.419 10.749 0.800 1.00 0.00 H new ATOM 0 HA ASP A 65 70.545 10.337 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.844 11.501 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.797 12.431 -1.437 1.00 0.00 H new ATOM 1009 N GLU A 66 72.447 12.093 -2.263 1.00 0.00 N ATOM 1010 CA GLU A 66 73.278 13.252 -2.696 1.00 0.00 C ATOM 1011 C GLU A 66 72.738 13.830 -4.008 1.00 0.00 C ATOM 1012 O GLU A 66 72.485 15.013 -4.120 1.00 0.00 O ATOM 1013 CB GLU A 66 74.681 12.683 -2.899 1.00 0.00 C ATOM 1014 CG GLU A 66 75.716 13.666 -2.352 1.00 0.00 C ATOM 1015 CD GLU A 66 76.539 12.986 -1.257 1.00 0.00 C ATOM 1016 OE1 GLU A 66 75.992 12.746 -0.194 1.00 0.00 O ATOM 1017 OE2 GLU A 66 77.704 12.714 -1.500 1.00 0.00 O ATOM 0 H GLU A 66 72.869 11.176 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 66 73.269 14.060 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 66 74.772 11.723 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 66 74.861 12.501 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.370 14.006 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.218 14.549 -1.952 1.00 0.00 H new ATOM 1024 N ASP A 67 72.560 13.002 -5.003 1.00 0.00 N ATOM 1025 CA ASP A 67 72.037 13.506 -6.306 1.00 0.00 C ATOM 1026 C ASP A 67 70.629 12.961 -6.559 1.00 0.00 C ATOM 1027 O ASP A 67 70.095 13.076 -7.645 1.00 0.00 O ATOM 1028 CB ASP A 67 73.014 12.975 -7.356 1.00 0.00 C ATOM 1029 CG ASP A 67 73.944 14.103 -7.806 1.00 0.00 C ATOM 1030 OD1 ASP A 67 73.469 14.999 -8.486 1.00 0.00 O ATOM 1031 OD2 ASP A 67 75.114 14.051 -7.466 1.00 0.00 O ATOM 0 H ASP A 67 72.754 12.001 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 67 71.964 14.593 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.597 12.152 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.466 12.579 -8.211 1.00 0.00 H new ATOM 1036 N GLY A 68 70.023 12.369 -5.567 1.00 0.00 N ATOM 1037 CA GLY A 68 68.649 11.819 -5.753 1.00 0.00 C ATOM 1038 C GLY A 68 67.627 12.789 -5.160 1.00 0.00 C ATOM 1039 O GLY A 68 66.557 12.987 -5.703 1.00 0.00 O ATOM 0 H GLY A 68 70.419 12.242 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 68 68.448 11.665 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 68 68.567 10.846 -5.269 1.00 0.00 H new ATOM 1043 N SER A 69 67.947 13.397 -4.051 1.00 0.00 N ATOM 1044 CA SER A 69 66.994 14.357 -3.422 1.00 0.00 C ATOM 1045 C SER A 69 65.647 13.678 -3.158 1.00 0.00 C ATOM 1046 O SER A 69 64.624 14.090 -3.670 1.00 0.00 O ATOM 1047 CB SER A 69 66.834 15.482 -4.443 1.00 0.00 C ATOM 1048 OG SER A 69 65.858 16.403 -3.977 1.00 0.00 O ATOM 0 H SER A 69 68.828 13.271 -3.552 1.00 0.00 H new ATOM 0 HA SER A 69 67.356 14.724 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.787 15.990 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.534 15.073 -5.408 1.00 0.00 H new ATOM 0 HG SER A 69 65.018 15.929 -3.802 1.00 0.00 H new ATOM 1054 N GLY A 70 65.635 12.644 -2.362 1.00 0.00 N ATOM 1055 CA GLY A 70 64.351 11.948 -2.065 1.00 0.00 C ATOM 1056 C GLY A 70 64.210 10.718 -2.965 1.00 0.00 C ATOM 1057 O GLY A 70 63.173 10.087 -3.009 1.00 0.00 O ATOM 0 H GLY A 70 66.458 12.251 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 70 64.322 11.649 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 70 63.513 12.626 -2.226 1.00 0.00 H new ATOM 1061 N THR A 71 65.243 10.370 -3.683 1.00 0.00 N ATOM 1062 CA THR A 71 65.159 9.181 -4.578 1.00 0.00 C ATOM 1063 C THR A 71 66.410 8.310 -4.429 1.00 0.00 C ATOM 1064 O THR A 71 67.524 8.788 -4.509 1.00 0.00 O ATOM 1065 CB THR A 71 65.071 9.753 -5.994 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.332 10.291 -6.365 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.012 10.856 -6.034 1.00 0.00 C ATOM 0 H THR A 71 66.140 10.856 -3.689 1.00 0.00 H new ATOM 0 HA THR A 71 64.304 8.549 -4.339 1.00 0.00 H new ATOM 0 HB THR A 71 64.795 8.961 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.047 9.711 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.949 11.264 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.045 10.442 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.286 11.649 -5.339 1.00 0.00 H new ATOM 1075 N VAL A 72 66.233 7.035 -4.212 1.00 0.00 N ATOM 1076 CA VAL A 72 67.411 6.132 -4.056 1.00 0.00 C ATOM 1077 C VAL A 72 67.513 5.162 -5.233 1.00 0.00 C ATOM 1078 O VAL A 72 66.535 4.839 -5.877 1.00 0.00 O ATOM 1079 CB VAL A 72 67.177 5.353 -2.757 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.643 6.195 -1.578 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.690 5.026 -2.592 1.00 0.00 C ATOM 0 H VAL A 72 65.324 6.579 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 72 68.339 6.702 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 72 67.740 4.421 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.479 5.646 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.705 6.416 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.079 7.128 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.540 4.473 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.115 5.952 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.355 4.421 -3.434 1.00 0.00 H new ATOM 1091 N ASP A 73 68.696 4.685 -5.501 1.00 0.00 N ATOM 1092 CA ASP A 73 68.880 3.719 -6.618 1.00 0.00 C ATOM 1093 C ASP A 73 69.269 2.355 -6.043 1.00 0.00 C ATOM 1094 O ASP A 73 69.267 2.157 -4.845 1.00 0.00 O ATOM 1095 CB ASP A 73 70.020 4.294 -7.459 1.00 0.00 C ATOM 1096 CG ASP A 73 69.664 4.191 -8.943 1.00 0.00 C ATOM 1097 OD1 ASP A 73 68.683 3.536 -9.251 1.00 0.00 O ATOM 1098 OD2 ASP A 73 70.378 4.769 -9.745 1.00 0.00 O ATOM 0 H ASP A 73 69.547 4.924 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 73 67.977 3.581 -7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 73 70.196 5.335 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 73 70.944 3.752 -7.258 1.00 0.00 H new ATOM 1103 N PHE A 74 69.604 1.415 -6.878 1.00 0.00 N ATOM 1104 CA PHE A 74 69.991 0.075 -6.356 1.00 0.00 C ATOM 1105 C PHE A 74 71.300 0.180 -5.569 1.00 0.00 C ATOM 1106 O PHE A 74 71.669 -0.716 -4.835 1.00 0.00 O ATOM 1107 CB PHE A 74 70.173 -0.800 -7.597 1.00 0.00 C ATOM 1108 CG PHE A 74 69.529 -2.145 -7.363 1.00 0.00 C ATOM 1109 CD1 PHE A 74 69.789 -2.848 -6.181 1.00 0.00 C ATOM 1110 CD2 PHE A 74 68.671 -2.688 -8.327 1.00 0.00 C ATOM 1111 CE1 PHE A 74 69.190 -4.095 -5.963 1.00 0.00 C ATOM 1112 CE2 PHE A 74 68.074 -3.935 -8.109 1.00 0.00 C ATOM 1113 CZ PHE A 74 68.333 -4.639 -6.927 1.00 0.00 C ATOM 0 H PHE A 74 69.627 1.513 -7.893 1.00 0.00 H new ATOM 0 HA PHE A 74 69.244 -0.339 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 74 69.725 -0.316 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 74 71.234 -0.926 -7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 74 70.451 -2.429 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 74 68.470 -2.145 -9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 74 69.389 -4.637 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 74 67.413 -4.354 -8.853 1.00 0.00 H new ATOM 0 HZ PHE A 74 67.872 -5.601 -6.759 1.00 0.00 H new ATOM 1123 N ASP A 75 72.002 1.271 -5.714 1.00 0.00 N ATOM 1124 CA ASP A 75 73.284 1.437 -4.974 1.00 0.00 C ATOM 1125 C ASP A 75 73.024 2.038 -3.588 1.00 0.00 C ATOM 1126 O ASP A 75 73.667 1.687 -2.620 1.00 0.00 O ATOM 1127 CB ASP A 75 74.113 2.397 -5.828 1.00 0.00 C ATOM 1128 CG ASP A 75 75.045 1.596 -6.738 1.00 0.00 C ATOM 1129 OD1 ASP A 75 74.951 0.379 -6.726 1.00 0.00 O ATOM 1130 OD2 ASP A 75 75.837 2.212 -7.432 1.00 0.00 O ATOM 0 H ASP A 75 71.742 2.054 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 75 73.794 0.487 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 75 73.456 3.027 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.694 3.060 -5.188 1.00 0.00 H new ATOM 1135 N GLU A 76 72.088 2.944 -3.488 1.00 0.00 N ATOM 1136 CA GLU A 76 71.794 3.567 -2.166 1.00 0.00 C ATOM 1137 C GLU A 76 70.757 2.738 -1.404 1.00 0.00 C ATOM 1138 O GLU A 76 70.933 2.419 -0.245 1.00 0.00 O ATOM 1139 CB GLU A 76 71.236 4.951 -2.498 1.00 0.00 C ATOM 1140 CG GLU A 76 72.115 5.617 -3.557 1.00 0.00 C ATOM 1141 CD GLU A 76 72.231 7.112 -3.258 1.00 0.00 C ATOM 1142 OE1 GLU A 76 71.290 7.662 -2.709 1.00 0.00 O ATOM 1143 OE2 GLU A 76 73.260 7.683 -3.583 1.00 0.00 O ATOM 0 H GLU A 76 71.516 3.279 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 76 72.679 3.624 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.212 4.864 -2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.203 5.566 -1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 76 73.104 5.159 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 76 71.687 5.466 -4.548 1.00 0.00 H new ATOM 1150 N PHE A 77 69.673 2.391 -2.043 1.00 0.00 N ATOM 1151 CA PHE A 77 68.624 1.589 -1.351 1.00 0.00 C ATOM 1152 C PHE A 77 69.210 0.274 -0.827 1.00 0.00 C ATOM 1153 O PHE A 77 68.608 -0.402 -0.017 1.00 0.00 O ATOM 1154 CB PHE A 77 67.568 1.313 -2.418 1.00 0.00 C ATOM 1155 CG PHE A 77 66.611 0.260 -1.913 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.142 0.317 -0.596 1.00 0.00 C ATOM 1157 CD2 PHE A 77 66.197 -0.774 -2.760 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.257 -0.660 -0.126 1.00 0.00 C ATOM 1159 CE2 PHE A 77 65.312 -1.752 -2.290 1.00 0.00 C ATOM 1160 CZ PHE A 77 64.842 -1.695 -0.973 1.00 0.00 C ATOM 0 H PHE A 77 69.468 2.628 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 77 68.211 2.114 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.027 2.229 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.044 0.976 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.463 1.115 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 77 66.560 -0.818 -3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 77 64.894 -0.616 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 77 64.992 -2.550 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 77 64.159 -2.449 -0.610 1.00 0.00 H new ATOM 1170 N LEU A 78 70.373 -0.098 -1.284 1.00 0.00 N ATOM 1171 CA LEU A 78 70.985 -1.369 -0.811 1.00 0.00 C ATOM 1172 C LEU A 78 71.942 -1.087 0.355 1.00 0.00 C ATOM 1173 O LEU A 78 72.062 -1.871 1.276 1.00 0.00 O ATOM 1174 CB LEU A 78 71.733 -1.909 -2.037 1.00 0.00 C ATOM 1175 CG LEU A 78 72.914 -2.772 -1.595 1.00 0.00 C ATOM 1176 CD1 LEU A 78 72.410 -3.917 -0.714 1.00 0.00 C ATOM 1177 CD2 LEU A 78 73.616 -3.347 -2.828 1.00 0.00 C ATOM 0 H LEU A 78 70.925 0.424 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 78 70.254 -2.086 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 78 71.055 -2.497 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 78 72.088 -1.080 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 78 73.617 -2.161 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 78 73.253 -4.532 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 78 71.911 -3.508 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 78 71.706 -4.528 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 78 74.459 -3.963 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 78 72.913 -3.957 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 78 73.977 -2.531 -3.455 1.00 0.00 H new ATOM 1189 N VAL A 79 72.622 0.026 0.324 1.00 0.00 N ATOM 1190 CA VAL A 79 73.566 0.354 1.431 1.00 0.00 C ATOM 1191 C VAL A 79 72.790 0.776 2.680 1.00 0.00 C ATOM 1192 O VAL A 79 73.206 0.534 3.794 1.00 0.00 O ATOM 1193 CB VAL A 79 74.406 1.518 0.905 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.466 1.894 1.942 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.092 1.104 -0.396 1.00 0.00 C ATOM 0 H VAL A 79 72.565 0.722 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 79 74.183 -0.499 1.713 1.00 0.00 H new ATOM 0 HB VAL A 79 73.760 2.376 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 79 76.064 2.724 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.978 2.190 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 79 76.112 1.036 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.691 1.934 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 79 75.737 0.246 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.338 0.837 -1.136 1.00 0.00 H new ATOM 1205 N MET A 80 71.665 1.410 2.501 1.00 0.00 N ATOM 1206 CA MET A 80 70.863 1.852 3.678 1.00 0.00 C ATOM 1207 C MET A 80 70.338 0.636 4.450 1.00 0.00 C ATOM 1208 O MET A 80 70.171 0.677 5.652 1.00 0.00 O ATOM 1209 CB MET A 80 69.705 2.657 3.089 1.00 0.00 C ATOM 1210 CG MET A 80 70.060 4.145 3.102 1.00 0.00 C ATOM 1211 SD MET A 80 68.569 5.120 3.423 1.00 0.00 S ATOM 1212 CE MET A 80 67.948 5.150 1.723 1.00 0.00 C ATOM 0 H MET A 80 71.266 1.642 1.592 1.00 0.00 H new ATOM 0 HA MET A 80 71.452 2.441 4.381 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.502 2.330 2.069 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.797 2.484 3.666 1.00 0.00 H new ATOM 0 HG2 MET A 80 70.809 4.344 3.868 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.497 4.434 2.146 1.00 0.00 H new ATOM 0 HE1 MET A 80 67.107 5.840 1.655 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.742 5.478 1.051 1.00 0.00 H new ATOM 0 HE3 MET A 80 67.621 4.150 1.437 1.00 0.00 H new ATOM 1222 N MET A 81 70.076 -0.446 3.768 1.00 0.00 N ATOM 1223 CA MET A 81 69.561 -1.661 4.466 1.00 0.00 C ATOM 1224 C MET A 81 70.708 -2.414 5.148 1.00 0.00 C ATOM 1225 O MET A 81 70.537 -3.011 6.192 1.00 0.00 O ATOM 1226 CB MET A 81 68.937 -2.517 3.364 1.00 0.00 C ATOM 1227 CG MET A 81 67.427 -2.619 3.592 1.00 0.00 C ATOM 1228 SD MET A 81 67.106 -3.641 5.052 1.00 0.00 S ATOM 1229 CE MET A 81 67.946 -5.136 4.472 1.00 0.00 C ATOM 0 H MET A 81 70.196 -0.542 2.760 1.00 0.00 H new ATOM 0 HA MET A 81 68.842 -1.412 5.246 1.00 0.00 H new ATOM 0 HB2 MET A 81 69.139 -2.076 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.384 -3.511 3.364 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.001 -1.625 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 81 66.945 -3.054 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.322 -6.006 4.676 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.124 -5.061 3.399 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.899 -5.243 4.991 1.00 0.00 H new ATOM 1239 N VAL A 82 71.875 -2.393 4.565 1.00 0.00 N ATOM 1240 CA VAL A 82 73.031 -3.112 5.178 1.00 0.00 C ATOM 1241 C VAL A 82 73.410 -2.467 6.516 1.00 0.00 C ATOM 1242 O VAL A 82 74.131 -3.038 7.310 1.00 0.00 O ATOM 1243 CB VAL A 82 74.168 -2.969 4.161 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.794 -1.576 4.272 1.00 0.00 C ATOM 1245 CG2 VAL A 82 75.236 -4.029 4.438 1.00 0.00 C ATOM 0 H VAL A 82 72.080 -1.909 3.691 1.00 0.00 H new ATOM 0 HA VAL A 82 72.805 -4.157 5.390 1.00 0.00 H new ATOM 0 HB VAL A 82 73.768 -3.104 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 82 75.602 -1.481 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 82 74.035 -0.819 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 82 75.191 -1.435 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 82 76.045 -3.928 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 82 75.630 -3.894 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 82 74.794 -5.022 4.352 1.00 0.00 H new ATOM 1255 N ARG A 83 72.934 -1.278 6.768 1.00 0.00 N ATOM 1256 CA ARG A 83 73.271 -0.595 8.050 1.00 0.00 C ATOM 1257 C ARG A 83 72.138 -0.776 9.064 1.00 0.00 C ATOM 1258 O ARG A 83 72.315 -0.580 10.249 1.00 0.00 O ATOM 1259 CB ARG A 83 73.430 0.880 7.682 1.00 0.00 C ATOM 1260 CG ARG A 83 74.860 1.333 7.985 1.00 0.00 C ATOM 1261 CD ARG A 83 74.932 2.861 7.943 1.00 0.00 C ATOM 1262 NE ARG A 83 74.228 3.312 9.176 1.00 0.00 N ATOM 1263 CZ ARG A 83 74.587 2.845 10.339 1.00 0.00 C ATOM 1264 NH1 ARG A 83 75.852 2.691 10.618 1.00 0.00 N ATOM 1265 NH2 ARG A 83 73.681 2.532 11.225 1.00 0.00 N ATOM 0 H ARG A 83 72.326 -0.750 6.142 1.00 0.00 H new ATOM 0 HA ARG A 83 74.172 -1.002 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 83 73.207 1.028 6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.719 1.485 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 83 75.167 0.971 8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 83 75.550 0.906 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 83 75.965 3.208 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 83 74.452 3.255 7.047 1.00 0.00 H new ATOM 0 HE ARG A 83 73.465 3.986 9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 83 76.560 2.936 9.926 1.00 0.00 H new ATOM 0 HH12 ARG A 83 76.133 2.326 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 83 72.692 2.653 11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 83 73.962 2.167 12.135 1.00 0.00 H new ATOM 1279 N CYS A 84 70.972 -1.149 8.608 1.00 0.00 N ATOM 1280 CA CYS A 84 69.831 -1.340 9.548 1.00 0.00 C ATOM 1281 C CYS A 84 69.295 -2.771 9.447 1.00 0.00 C ATOM 1282 O CYS A 84 68.106 -3.006 9.536 1.00 0.00 O ATOM 1283 CB CYS A 84 68.771 -0.338 9.092 1.00 0.00 C ATOM 1284 SG CYS A 84 69.323 1.342 9.477 1.00 0.00 S ATOM 0 H CYS A 84 70.761 -1.329 7.626 1.00 0.00 H new ATOM 0 HA CYS A 84 70.121 -1.183 10.587 1.00 0.00 H new ATOM 0 HB2 CYS A 84 68.597 -0.439 8.021 1.00 0.00 H new ATOM 0 HB3 CYS A 84 67.823 -0.544 9.589 1.00 0.00 H new ATOM 0 HG CYS A 84 70.442 1.583 8.861 1.00 0.00 H new ATOM 1290 N MET A 85 70.161 -3.727 9.261 1.00 0.00 N ATOM 1291 CA MET A 85 69.700 -5.141 9.155 1.00 0.00 C ATOM 1292 C MET A 85 69.221 -5.648 10.519 1.00 0.00 C ATOM 1293 O MET A 85 68.647 -6.713 10.629 1.00 0.00 O ATOM 1294 CB MET A 85 70.927 -5.924 8.690 1.00 0.00 C ATOM 1295 CG MET A 85 71.130 -5.713 7.189 1.00 0.00 C ATOM 1296 SD MET A 85 71.415 -7.311 6.388 1.00 0.00 S ATOM 1297 CE MET A 85 73.148 -7.034 5.945 1.00 0.00 C ATOM 0 H MET A 85 71.169 -3.591 9.178 1.00 0.00 H new ATOM 0 HA MET A 85 68.862 -5.251 8.466 1.00 0.00 H new ATOM 0 HB2 MET A 85 71.810 -5.594 9.237 1.00 0.00 H new ATOM 0 HB3 MET A 85 70.797 -6.985 8.904 1.00 0.00 H new ATOM 0 HG2 MET A 85 70.254 -5.229 6.757 1.00 0.00 H new ATOM 0 HG3 MET A 85 71.978 -5.051 7.015 1.00 0.00 H new ATOM 0 HE1 MET A 85 73.674 -7.988 5.919 1.00 0.00 H new ATOM 0 HE2 MET A 85 73.202 -6.563 4.963 1.00 0.00 H new ATOM 0 HE3 MET A 85 73.613 -6.383 6.685 1.00 0.00 H new ATOM 1307 N LYS A 86 69.454 -4.895 11.558 1.00 0.00 N ATOM 1308 CA LYS A 86 69.011 -5.336 12.912 1.00 0.00 C ATOM 1309 C LYS A 86 68.577 -4.129 13.747 1.00 0.00 C ATOM 1310 O LYS A 86 69.049 -3.026 13.554 1.00 0.00 O ATOM 1311 CB LYS A 86 70.238 -6.006 13.532 1.00 0.00 C ATOM 1312 CG LYS A 86 71.399 -5.011 13.570 1.00 0.00 C ATOM 1313 CD LYS A 86 72.517 -5.497 12.646 1.00 0.00 C ATOM 1314 CE LYS A 86 73.479 -6.389 13.433 1.00 0.00 C ATOM 1315 NZ LYS A 86 74.245 -7.136 12.397 1.00 0.00 N ATOM 0 H LYS A 86 69.931 -3.994 11.529 1.00 0.00 H new ATOM 0 HA LYS A 86 68.157 -6.012 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 86 70.007 -6.350 14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 86 70.518 -6.885 12.951 1.00 0.00 H new ATOM 0 HG2 LYS A 86 71.057 -4.024 13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 86 71.773 -4.910 14.589 1.00 0.00 H new ATOM 0 HD2 LYS A 86 72.095 -6.051 11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 86 73.054 -4.645 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 86 74.142 -5.796 14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 86 72.938 -7.069 14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 74.927 -7.770 12.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 73.589 -7.697 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 74.755 -6.463 11.790 1.00 0.00 H new ATOM 1329 N ASP A 87 67.680 -4.330 14.674 1.00 0.00 N ATOM 1330 CA ASP A 87 67.215 -3.192 15.520 1.00 0.00 C ATOM 1331 C ASP A 87 66.554 -3.720 16.797 1.00 0.00 C ATOM 1332 O ASP A 87 67.066 -3.557 17.886 1.00 0.00 O ATOM 1333 CB ASP A 87 66.197 -2.448 14.656 1.00 0.00 C ATOM 1334 CG ASP A 87 66.513 -0.952 14.668 1.00 0.00 C ATOM 1335 OD1 ASP A 87 67.501 -0.570 14.062 1.00 0.00 O ATOM 1336 OD2 ASP A 87 65.763 -0.212 15.283 1.00 0.00 O ATOM 0 H ASP A 87 67.249 -5.231 14.882 1.00 0.00 H new ATOM 0 HA ASP A 87 68.035 -2.545 15.831 1.00 0.00 H new ATOM 0 HB2 ASP A 87 66.224 -2.828 13.635 1.00 0.00 H new ATOM 0 HB3 ASP A 87 65.189 -2.620 15.033 1.00 0.00 H new ATOM 1341 N ASP A 88 65.418 -4.349 16.669 1.00 0.00 N ATOM 1342 CA ASP A 88 64.722 -4.887 17.874 1.00 0.00 C ATOM 1343 C ASP A 88 63.861 -6.093 17.491 1.00 0.00 C ATOM 1344 O ASP A 88 63.391 -6.203 16.376 1.00 0.00 O ATOM 1345 CB ASP A 88 63.844 -3.738 18.371 1.00 0.00 C ATOM 1346 CG ASP A 88 62.664 -3.548 17.416 1.00 0.00 C ATOM 1347 OD1 ASP A 88 62.814 -2.804 16.461 1.00 0.00 O ATOM 1348 OD2 ASP A 88 61.631 -4.149 17.657 1.00 0.00 O ATOM 0 H ASP A 88 64.941 -4.514 15.783 1.00 0.00 H new ATOM 0 HA ASP A 88 65.421 -5.225 18.639 1.00 0.00 H new ATOM 0 HB2 ASP A 88 63.481 -3.952 19.376 1.00 0.00 H new ATOM 0 HB3 ASP A 88 64.428 -2.820 18.432 1.00 0.00 H new ATOM 1353 N SER A 89 63.652 -6.999 18.406 1.00 0.00 N ATOM 1354 CA SER A 89 62.821 -8.197 18.092 1.00 0.00 C ATOM 1355 C SER A 89 61.360 -7.790 17.892 1.00 0.00 C ATOM 1356 O SER A 89 60.572 -8.020 18.795 1.00 0.00 O ATOM 1357 CB SER A 89 62.963 -9.107 19.311 1.00 0.00 C ATOM 1358 OG SER A 89 63.133 -10.450 18.876 1.00 0.00 O ATOM 1359 OXT SER A 89 61.053 -7.255 16.839 1.00 0.00 O ATOM 0 H SER A 89 64.020 -6.962 19.357 1.00 0.00 H new ATOM 0 HA SER A 89 63.140 -8.692 17.175 1.00 0.00 H new ATOM 0 HB2 SER A 89 63.817 -8.797 19.914 1.00 0.00 H new ATOM 0 HB3 SER A 89 62.080 -9.027 19.944 1.00 0.00 H new ATOM 0 HG SER A 89 63.226 -11.037 19.655 1.00 0.00 H new TER 1365 SER A 89