USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 844 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 59 SER OG : rot 180:sc=-0.00628 USER MOD Set 1.2: A 60 ASN : amide:sc= 0.664 X(o=0.66,f=1.1) USER MOD Single : A 4 TYR OH : rot -142:sc= 0.414 USER MOD Single : A 9 SER OG : rot 60:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0166) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -111:sc= 0.797 (180deg=-0.000873) USER MOD Single : A 21 MET CE :methyl -142:sc= -0.398 (180deg=-1.76) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 1.45 (180deg=1.26) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0337 F(o=-0.56,f=-0.034) USER MOD Single : A 31 THR OG1 : rot 27:sc= 0.352 USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 34 THR OG1 : rot -160:sc= -1.71 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= -0.969 (180deg=-2.41!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= 0.211 (180deg=0.124) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -145:sc= -0.0623 (180deg=-0.896) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0885 USER MOD Single : A 82 LYS NZ :NH3+ 144:sc= 0.796 (180deg=-0.357) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0.839 (180deg=0.793) USER MOD Single : A 94 LYS NZ :NH3+ -122:sc= 0.625 (180deg=0.169) USER MOD Single : A 97 SER OG : rot -140:sc= -0.174 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.499 -1.161 9.999 1.00 33.13 N ATOM 21 CA LEU A 2 -9.942 -1.989 8.915 1.00 52.11 C ATOM 22 C LEU A 2 -8.738 -1.264 8.264 1.00 23.14 C ATOM 23 O LEU A 2 -8.912 -0.232 7.611 1.00 33.12 O ATOM 24 CB LEU A 2 -11.033 -2.302 7.846 1.00 22.45 C ATOM 25 CG LEU A 2 -12.352 -2.979 8.346 1.00 50.53 C ATOM 26 CD1 LEU A 2 -13.351 -3.172 7.183 1.00 24.44 C ATOM 27 CD2 LEU A 2 -12.076 -4.311 9.079 1.00 52.22 C ATOM 0 HA LEU A 2 -9.600 -2.934 9.337 1.00 52.11 H new ATOM 0 HB2 LEU A 2 -11.299 -1.368 7.352 1.00 22.45 H new ATOM 0 HB3 LEU A 2 -10.588 -2.948 7.089 1.00 22.45 H new ATOM 0 HG LEU A 2 -12.808 -2.306 9.072 1.00 50.53 H new ATOM 0 HD11 LEU A 2 -14.259 -3.644 7.558 1.00 24.44 H new ATOM 0 HD12 LEU A 2 -13.598 -2.202 6.751 1.00 24.44 H new ATOM 0 HD13 LEU A 2 -12.901 -3.806 6.419 1.00 24.44 H new ATOM 0 HD21 LEU A 2 -13.019 -4.747 9.409 1.00 52.22 H new ATOM 0 HD22 LEU A 2 -11.574 -5.002 8.401 1.00 52.22 H new ATOM 0 HD23 LEU A 2 -11.440 -4.125 9.944 1.00 52.22 H new ATOM 39 N LEU A 3 -7.514 -1.771 8.501 1.00 43.22 N ATOM 40 CA LEU A 3 -6.282 -1.219 7.898 1.00 4.24 C ATOM 41 C LEU A 3 -5.713 -2.213 6.875 1.00 24.21 C ATOM 42 O LEU A 3 -5.827 -3.431 7.049 1.00 41.35 O ATOM 43 CB LEU A 3 -5.219 -0.896 8.992 1.00 74.10 C ATOM 44 CG LEU A 3 -5.594 0.221 10.023 1.00 61.51 C ATOM 45 CD1 LEU A 3 -4.458 0.455 11.043 1.00 50.01 C ATOM 46 CD2 LEU A 3 -5.973 1.543 9.322 1.00 32.01 C ATOM 0 H LEU A 3 -7.349 -2.571 9.112 1.00 43.22 H new ATOM 0 HA LEU A 3 -6.533 -0.288 7.390 1.00 4.24 H new ATOM 0 HB2 LEU A 3 -5.008 -1.812 9.543 1.00 74.10 H new ATOM 0 HB3 LEU A 3 -4.295 -0.604 8.494 1.00 74.10 H new ATOM 0 HG LEU A 3 -6.470 -0.133 10.566 1.00 61.51 H new ATOM 0 HD11 LEU A 3 -4.753 1.237 11.743 1.00 50.01 H new ATOM 0 HD12 LEU A 3 -4.264 -0.468 11.590 1.00 50.01 H new ATOM 0 HD13 LEU A 3 -3.554 0.761 10.517 1.00 50.01 H new ATOM 0 HD21 LEU A 3 -6.227 2.293 10.072 1.00 32.01 H new ATOM 0 HD22 LEU A 3 -5.129 1.895 8.728 1.00 32.01 H new ATOM 0 HD23 LEU A 3 -6.831 1.376 8.671 1.00 32.01 H new ATOM 58 N TYR A 4 -5.130 -1.686 5.793 1.00 20.32 N ATOM 59 CA TYR A 4 -4.479 -2.491 4.741 1.00 45.33 C ATOM 60 C TYR A 4 -3.226 -1.778 4.242 1.00 24.33 C ATOM 61 O TYR A 4 -3.073 -0.570 4.429 1.00 23.11 O ATOM 62 CB TYR A 4 -5.460 -2.786 3.567 1.00 31.25 C ATOM 63 CG TYR A 4 -6.498 -3.875 3.881 1.00 61.22 C ATOM 64 CD1 TYR A 4 -6.182 -5.225 3.715 1.00 13.45 C ATOM 65 CD2 TYR A 4 -7.785 -3.566 4.343 1.00 1.43 C ATOM 66 CE1 TYR A 4 -7.101 -6.217 3.999 1.00 53.54 C ATOM 67 CE2 TYR A 4 -8.704 -4.563 4.629 1.00 65.52 C ATOM 68 CZ TYR A 4 -8.358 -5.885 4.453 1.00 12.30 C ATOM 69 OH TYR A 4 -9.270 -6.880 4.725 1.00 65.13 O ATOM 0 H TYR A 4 -5.094 -0.682 5.617 1.00 20.32 H new ATOM 0 HA TYR A 4 -4.189 -3.450 5.169 1.00 45.33 H new ATOM 0 HB2 TYR A 4 -5.982 -1.866 3.303 1.00 31.25 H new ATOM 0 HB3 TYR A 4 -4.884 -3.088 2.692 1.00 31.25 H new ATOM 0 HD1 TYR A 4 -5.200 -5.499 3.358 1.00 13.45 H new ATOM 0 HD2 TYR A 4 -8.065 -2.532 4.479 1.00 1.43 H new ATOM 0 HE1 TYR A 4 -6.833 -7.255 3.865 1.00 53.54 H new ATOM 0 HE2 TYR A 4 -9.689 -4.304 4.989 1.00 65.52 H new ATOM 0 HH TYR A 4 -10.164 -6.589 4.448 1.00 65.13 H new ATOM 79 N VAL A 5 -2.309 -2.564 3.657 1.00 4.41 N ATOM 80 CA VAL A 5 -1.084 -2.071 3.023 1.00 13.20 C ATOM 81 C VAL A 5 -0.948 -2.727 1.632 1.00 43.42 C ATOM 82 O VAL A 5 -0.936 -3.952 1.527 1.00 34.02 O ATOM 83 CB VAL A 5 0.199 -2.387 3.908 1.00 24.34 C ATOM 84 CG1 VAL A 5 1.481 -1.853 3.241 1.00 12.30 C ATOM 85 CG2 VAL A 5 0.061 -1.829 5.352 1.00 60.03 C ATOM 0 H VAL A 5 -2.403 -3.579 3.612 1.00 4.41 H new ATOM 0 HA VAL A 5 -1.150 -0.988 2.923 1.00 13.20 H new ATOM 0 HB VAL A 5 0.275 -3.472 3.980 1.00 24.34 H new ATOM 0 HG11 VAL A 5 2.341 -2.084 3.869 1.00 12.30 H new ATOM 0 HG12 VAL A 5 1.607 -2.324 2.266 1.00 12.30 H new ATOM 0 HG13 VAL A 5 1.403 -0.773 3.115 1.00 12.30 H new ATOM 0 HG21 VAL A 5 0.959 -2.067 5.922 1.00 60.03 H new ATOM 0 HG22 VAL A 5 -0.068 -0.747 5.313 1.00 60.03 H new ATOM 0 HG23 VAL A 5 -0.805 -2.280 5.835 1.00 60.03 H new ATOM 95 N LEU A 6 -0.903 -1.909 0.567 1.00 2.14 N ATOM 96 CA LEU A 6 -0.609 -2.371 -0.805 1.00 23.41 C ATOM 97 C LEU A 6 0.801 -1.910 -1.173 1.00 61.32 C ATOM 98 O LEU A 6 1.114 -0.735 -1.013 1.00 31.34 O ATOM 99 CB LEU A 6 -1.638 -1.795 -1.822 1.00 10.52 C ATOM 100 CG LEU A 6 -3.133 -2.189 -1.602 1.00 24.11 C ATOM 101 CD1 LEU A 6 -4.033 -1.661 -2.745 1.00 72.40 C ATOM 102 CD2 LEU A 6 -3.296 -3.706 -1.412 1.00 51.15 C ATOM 0 H LEU A 6 -1.070 -0.905 0.631 1.00 2.14 H new ATOM 0 HA LEU A 6 -0.678 -3.458 -0.844 1.00 23.41 H new ATOM 0 HB2 LEU A 6 -1.566 -0.708 -1.801 1.00 10.52 H new ATOM 0 HB3 LEU A 6 -1.345 -2.115 -2.822 1.00 10.52 H new ATOM 0 HG LEU A 6 -3.462 -1.709 -0.680 1.00 24.11 H new ATOM 0 HD11 LEU A 6 -5.066 -1.954 -2.559 1.00 72.40 H new ATOM 0 HD12 LEU A 6 -3.966 -0.574 -2.788 1.00 72.40 H new ATOM 0 HD13 LEU A 6 -3.701 -2.083 -3.694 1.00 72.40 H new ATOM 0 HD21 LEU A 6 -4.349 -3.943 -1.262 1.00 51.15 H new ATOM 0 HD22 LEU A 6 -2.930 -4.225 -2.298 1.00 51.15 H new ATOM 0 HD23 LEU A 6 -2.724 -4.027 -0.541 1.00 51.15 H new ATOM 114 N ILE A 7 1.668 -2.822 -1.644 1.00 20.11 N ATOM 115 CA ILE A 7 3.055 -2.467 -1.995 1.00 3.43 C ATOM 116 C ILE A 7 3.340 -2.716 -3.495 1.00 60.31 C ATOM 117 O ILE A 7 3.326 -3.855 -3.980 1.00 45.01 O ATOM 118 CB ILE A 7 4.105 -3.209 -1.077 1.00 73.43 C ATOM 119 CG1 ILE A 7 5.552 -2.736 -1.430 1.00 73.24 C ATOM 120 CG2 ILE A 7 3.975 -4.754 -1.145 1.00 13.32 C ATOM 121 CD1 ILE A 7 6.631 -3.280 -0.524 1.00 12.04 C ATOM 0 H ILE A 7 1.436 -3.804 -1.790 1.00 20.11 H new ATOM 0 HA ILE A 7 3.168 -1.399 -1.811 1.00 3.43 H new ATOM 0 HB ILE A 7 3.889 -2.938 -0.044 1.00 73.43 H new ATOM 0 HG12 ILE A 7 5.776 -3.029 -2.456 1.00 73.24 H new ATOM 0 HG13 ILE A 7 5.582 -1.647 -1.396 1.00 73.24 H new ATOM 0 HG21 ILE A 7 4.721 -5.211 -0.495 1.00 13.32 H new ATOM 0 HG22 ILE A 7 2.978 -5.050 -0.818 1.00 13.32 H new ATOM 0 HG23 ILE A 7 4.134 -5.088 -2.170 1.00 13.32 H new ATOM 0 HD11 ILE A 7 7.601 -2.899 -0.844 1.00 12.04 H new ATOM 0 HD12 ILE A 7 6.438 -2.965 0.502 1.00 12.04 H new ATOM 0 HD13 ILE A 7 6.634 -4.369 -0.575 1.00 12.04 H new ATOM 133 N ILE A 8 3.542 -1.614 -4.233 1.00 62.31 N ATOM 134 CA ILE A 8 4.022 -1.634 -5.620 1.00 44.42 C ATOM 135 C ILE A 8 5.556 -1.454 -5.586 1.00 73.40 C ATOM 136 O ILE A 8 6.046 -0.343 -5.344 1.00 22.11 O ATOM 137 CB ILE A 8 3.358 -0.476 -6.466 1.00 54.14 C ATOM 138 CG1 ILE A 8 1.815 -0.421 -6.225 1.00 73.02 C ATOM 139 CG2 ILE A 8 3.683 -0.620 -7.974 1.00 21.30 C ATOM 140 CD1 ILE A 8 1.104 0.725 -6.920 1.00 61.30 C ATOM 0 H ILE A 8 3.374 -0.673 -3.877 1.00 62.31 H new ATOM 0 HA ILE A 8 3.753 -2.579 -6.093 1.00 44.42 H new ATOM 0 HB ILE A 8 3.785 0.468 -6.127 1.00 54.14 H new ATOM 0 HG12 ILE A 8 1.375 -1.360 -6.561 1.00 73.02 H new ATOM 0 HG13 ILE A 8 1.631 -0.348 -5.153 1.00 73.02 H new ATOM 0 HG21 ILE A 8 3.211 0.192 -8.527 1.00 21.30 H new ATOM 0 HG22 ILE A 8 4.763 -0.579 -8.119 1.00 21.30 H new ATOM 0 HG23 ILE A 8 3.304 -1.575 -8.338 1.00 21.30 H new ATOM 0 HD11 ILE A 8 0.038 0.682 -6.695 1.00 61.30 H new ATOM 0 HD12 ILE A 8 1.511 1.673 -6.568 1.00 61.30 H new ATOM 0 HD13 ILE A 8 1.251 0.645 -7.997 1.00 61.30 H new ATOM 152 N SER A 9 6.297 -2.558 -5.769 1.00 30.11 N ATOM 153 CA SER A 9 7.771 -2.559 -5.767 1.00 65.22 C ATOM 154 C SER A 9 8.280 -3.703 -6.644 1.00 45.43 C ATOM 155 O SER A 9 7.822 -4.839 -6.506 1.00 33.41 O ATOM 156 CB SER A 9 8.315 -2.708 -4.321 1.00 13.11 C ATOM 157 OG SER A 9 9.738 -2.665 -4.280 1.00 13.30 O ATOM 0 H SER A 9 5.890 -3.480 -5.923 1.00 30.11 H new ATOM 0 HA SER A 9 8.127 -1.610 -6.168 1.00 65.22 H new ATOM 0 HB2 SER A 9 7.910 -1.911 -3.697 1.00 13.11 H new ATOM 0 HB3 SER A 9 7.968 -3.651 -3.898 1.00 13.11 H new ATOM 0 HG SER A 9 10.050 -1.808 -4.639 1.00 13.30 H new ATOM 163 N ASN A 10 9.208 -3.388 -7.568 1.00 1.15 N ATOM 164 CA ASN A 10 9.900 -4.384 -8.407 1.00 42.22 C ATOM 165 C ASN A 10 10.993 -5.113 -7.608 1.00 73.22 C ATOM 166 O ASN A 10 11.470 -6.177 -8.028 1.00 74.20 O ATOM 167 CB ASN A 10 10.523 -3.704 -9.657 1.00 20.41 C ATOM 168 CG ASN A 10 9.490 -3.067 -10.588 1.00 20.11 C ATOM 169 OD1 ASN A 10 8.369 -3.562 -10.729 1.00 41.41 O ATOM 170 ND2 ASN A 10 9.854 -1.971 -11.237 1.00 22.34 N ATOM 0 H ASN A 10 9.500 -2.429 -7.754 1.00 1.15 H new ATOM 0 HA ASN A 10 9.162 -5.117 -8.733 1.00 42.22 H new ATOM 0 HB2 ASN A 10 11.226 -2.938 -9.331 1.00 20.41 H new ATOM 0 HB3 ASN A 10 11.095 -4.445 -10.216 1.00 20.41 H new ATOM 0 HD21 ASN A 10 9.200 -1.514 -11.873 1.00 22.34 H new ATOM 0 HD22 ASN A 10 10.788 -1.584 -11.101 1.00 22.34 H new ATOM 177 N ASP A 11 11.378 -4.529 -6.455 1.00 20.50 N ATOM 178 CA ASP A 11 12.418 -5.079 -5.588 1.00 61.23 C ATOM 179 C ASP A 11 11.798 -6.073 -4.606 1.00 1.31 C ATOM 180 O ASP A 11 11.050 -5.687 -3.707 1.00 43.14 O ATOM 181 CB ASP A 11 13.168 -3.949 -4.847 1.00 74.45 C ATOM 182 CG ASP A 11 13.914 -3.021 -5.816 1.00 72.43 C ATOM 183 OD1 ASP A 11 14.815 -3.502 -6.530 1.00 62.52 O ATOM 184 OD2 ASP A 11 13.587 -1.824 -5.895 1.00 52.51 O ATOM 0 H ASP A 11 10.970 -3.662 -6.106 1.00 20.50 H new ATOM 0 HA ASP A 11 13.149 -5.608 -6.199 1.00 61.23 H new ATOM 0 HB2 ASP A 11 12.457 -3.366 -4.261 1.00 74.45 H new ATOM 0 HB3 ASP A 11 13.878 -4.385 -4.144 1.00 74.45 H new ATOM 189 N LYS A 12 12.123 -7.359 -4.820 1.00 0.35 N ATOM 190 CA LYS A 12 11.612 -8.504 -4.035 1.00 14.31 C ATOM 191 C LYS A 12 12.054 -8.398 -2.559 1.00 41.32 C ATOM 192 O LYS A 12 11.304 -8.783 -1.654 1.00 3.04 O ATOM 193 CB LYS A 12 12.097 -9.868 -4.642 1.00 65.30 C ATOM 194 CG LYS A 12 11.484 -10.273 -6.018 1.00 65.02 C ATOM 195 CD LYS A 12 11.895 -9.343 -7.182 1.00 20.24 C ATOM 196 CE LYS A 12 11.370 -9.814 -8.548 1.00 33.32 C ATOM 197 NZ LYS A 12 12.022 -11.071 -9.001 1.00 42.45 N ATOM 0 H LYS A 12 12.764 -7.642 -5.561 1.00 0.35 H new ATOM 0 HA LYS A 12 10.523 -8.474 -4.079 1.00 14.31 H new ATOM 0 HB2 LYS A 12 13.181 -9.828 -4.750 1.00 65.30 H new ATOM 0 HB3 LYS A 12 11.877 -10.658 -3.924 1.00 65.30 H new ATOM 0 HG2 LYS A 12 11.789 -11.292 -6.255 1.00 65.02 H new ATOM 0 HG3 LYS A 12 10.397 -10.276 -5.934 1.00 65.02 H new ATOM 0 HD2 LYS A 12 11.523 -8.338 -6.984 1.00 20.24 H new ATOM 0 HD3 LYS A 12 12.982 -9.279 -7.220 1.00 20.24 H new ATOM 0 HE2 LYS A 12 10.293 -9.968 -8.487 1.00 33.32 H new ATOM 0 HE3 LYS A 12 11.539 -9.032 -9.289 1.00 33.32 H new ATOM 0 HZ1 LYS A 12 11.673 -11.321 -9.948 1.00 42.45 H new ATOM 0 HZ2 LYS A 12 13.052 -10.934 -9.037 1.00 42.45 H new ATOM 0 HZ3 LYS A 12 11.797 -11.838 -8.335 1.00 42.45 H new ATOM 211 N LYS A 13 13.272 -7.856 -2.337 1.00 53.41 N ATOM 212 CA LYS A 13 13.845 -7.653 -0.996 1.00 22.45 C ATOM 213 C LYS A 13 13.087 -6.539 -0.254 1.00 70.02 C ATOM 214 O LYS A 13 12.814 -6.672 0.933 1.00 31.13 O ATOM 215 CB LYS A 13 15.357 -7.304 -1.097 1.00 52.23 C ATOM 216 CG LYS A 13 16.216 -8.381 -1.794 1.00 1.01 C ATOM 217 CD LYS A 13 16.303 -9.707 -1.006 1.00 70.23 C ATOM 218 CE LYS A 13 17.178 -10.751 -1.721 1.00 54.11 C ATOM 219 NZ LYS A 13 17.347 -11.991 -0.913 1.00 54.20 N ATOM 0 H LYS A 13 13.886 -7.547 -3.091 1.00 53.41 H new ATOM 0 HA LYS A 13 13.742 -8.580 -0.432 1.00 22.45 H new ATOM 0 HB2 LYS A 13 15.465 -6.364 -1.639 1.00 52.23 H new ATOM 0 HB3 LYS A 13 15.747 -7.140 -0.093 1.00 52.23 H new ATOM 0 HG2 LYS A 13 15.801 -8.582 -2.782 1.00 1.01 H new ATOM 0 HG3 LYS A 13 17.222 -7.990 -1.944 1.00 1.01 H new ATOM 0 HD2 LYS A 13 16.710 -9.512 -0.014 1.00 70.23 H new ATOM 0 HD3 LYS A 13 15.300 -10.111 -0.865 1.00 70.23 H new ATOM 0 HE2 LYS A 13 16.728 -11.003 -2.681 1.00 54.11 H new ATOM 0 HE3 LYS A 13 18.157 -10.320 -1.931 1.00 54.11 H new ATOM 0 HZ1 LYS A 13 17.943 -12.666 -1.433 1.00 54.20 H new ATOM 0 HZ2 LYS A 13 17.800 -11.756 -0.007 1.00 54.20 H new ATOM 0 HZ3 LYS A 13 16.416 -12.418 -0.734 1.00 54.20 H new ATOM 233 N LEU A 14 12.743 -5.447 -0.983 1.00 52.32 N ATOM 234 CA LEU A 14 11.958 -4.310 -0.438 1.00 13.24 C ATOM 235 C LEU A 14 10.559 -4.795 0.002 1.00 54.15 C ATOM 236 O LEU A 14 10.050 -4.382 1.051 1.00 21.35 O ATOM 237 CB LEU A 14 11.868 -3.169 -1.508 1.00 42.42 C ATOM 238 CG LEU A 14 11.430 -1.726 -1.033 1.00 70.32 C ATOM 239 CD1 LEU A 14 11.833 -0.656 -2.065 1.00 22.43 C ATOM 240 CD2 LEU A 14 9.916 -1.607 -0.731 1.00 34.24 C ATOM 0 H LEU A 14 13.001 -5.330 -1.963 1.00 52.32 H new ATOM 0 HA LEU A 14 12.458 -3.906 0.442 1.00 13.24 H new ATOM 0 HB2 LEU A 14 12.846 -3.080 -1.982 1.00 42.42 H new ATOM 0 HB3 LEU A 14 11.168 -3.491 -2.279 1.00 42.42 H new ATOM 0 HG LEU A 14 11.960 -1.555 -0.096 1.00 70.32 H new ATOM 0 HD11 LEU A 14 11.519 0.326 -1.712 1.00 22.43 H new ATOM 0 HD12 LEU A 14 12.915 -0.666 -2.196 1.00 22.43 H new ATOM 0 HD13 LEU A 14 11.350 -0.870 -3.019 1.00 22.43 H new ATOM 0 HD21 LEU A 14 9.688 -0.590 -0.411 1.00 34.24 H new ATOM 0 HD22 LEU A 14 9.346 -1.841 -1.630 1.00 34.24 H new ATOM 0 HD23 LEU A 14 9.647 -2.306 0.061 1.00 34.24 H new ATOM 252 N ILE A 15 9.967 -5.679 -0.824 1.00 51.44 N ATOM 253 CA ILE A 15 8.672 -6.318 -0.545 1.00 61.22 C ATOM 254 C ILE A 15 8.723 -7.140 0.765 1.00 11.52 C ATOM 255 O ILE A 15 7.827 -7.031 1.604 1.00 33.03 O ATOM 256 CB ILE A 15 8.221 -7.220 -1.756 1.00 44.14 C ATOM 257 CG1 ILE A 15 7.978 -6.355 -3.039 1.00 11.52 C ATOM 258 CG2 ILE A 15 6.964 -8.039 -1.409 1.00 24.14 C ATOM 259 CD1 ILE A 15 7.575 -7.146 -4.275 1.00 33.32 C ATOM 0 H ILE A 15 10.380 -5.970 -1.710 1.00 51.44 H new ATOM 0 HA ILE A 15 7.932 -5.529 -0.413 1.00 61.22 H new ATOM 0 HB ILE A 15 9.030 -7.920 -1.962 1.00 44.14 H new ATOM 0 HG12 ILE A 15 7.200 -5.622 -2.824 1.00 11.52 H new ATOM 0 HG13 ILE A 15 8.888 -5.798 -3.262 1.00 11.52 H new ATOM 0 HG21 ILE A 15 6.680 -8.650 -2.266 1.00 24.14 H new ATOM 0 HG22 ILE A 15 7.174 -8.685 -0.557 1.00 24.14 H new ATOM 0 HG23 ILE A 15 6.147 -7.363 -1.159 1.00 24.14 H new ATOM 0 HD11 ILE A 15 7.429 -6.463 -5.112 1.00 33.32 H new ATOM 0 HD12 ILE A 15 8.361 -7.860 -4.522 1.00 33.32 H new ATOM 0 HD13 ILE A 15 6.647 -7.682 -4.077 1.00 33.32 H new ATOM 271 N GLU A 16 9.799 -7.937 0.918 1.00 21.43 N ATOM 272 CA GLU A 16 10.031 -8.769 2.120 1.00 32.22 C ATOM 273 C GLU A 16 10.221 -7.898 3.369 1.00 31.33 C ATOM 274 O GLU A 16 9.648 -8.192 4.422 1.00 44.13 O ATOM 275 CB GLU A 16 11.256 -9.690 1.914 1.00 54.10 C ATOM 276 CG GLU A 16 11.067 -10.762 0.829 1.00 24.32 C ATOM 277 CD GLU A 16 12.311 -11.621 0.622 1.00 71.54 C ATOM 278 OE1 GLU A 16 13.386 -11.050 0.361 1.00 62.54 O ATOM 279 OE2 GLU A 16 12.228 -12.868 0.706 1.00 31.31 O ATOM 0 H GLU A 16 10.532 -8.024 0.214 1.00 21.43 H new ATOM 0 HA GLU A 16 9.148 -9.390 2.273 1.00 32.22 H new ATOM 0 HB2 GLU A 16 12.118 -9.076 1.655 1.00 54.10 H new ATOM 0 HB3 GLU A 16 11.488 -10.183 2.858 1.00 54.10 H new ATOM 0 HG2 GLU A 16 10.229 -11.404 1.101 1.00 24.32 H new ATOM 0 HG3 GLU A 16 10.805 -10.278 -0.112 1.00 24.32 H new ATOM 286 N GLU A 17 11.008 -6.821 3.214 1.00 12.53 N ATOM 287 CA GLU A 17 11.323 -5.869 4.292 1.00 73.42 C ATOM 288 C GLU A 17 10.046 -5.215 4.860 1.00 33.10 C ATOM 289 O GLU A 17 9.853 -5.159 6.087 1.00 20.31 O ATOM 290 CB GLU A 17 12.297 -4.779 3.755 1.00 24.33 C ATOM 291 CG GLU A 17 13.770 -5.223 3.628 1.00 14.32 C ATOM 292 CD GLU A 17 14.409 -5.618 4.972 1.00 71.13 C ATOM 293 OE1 GLU A 17 14.726 -4.713 5.777 1.00 75.25 O ATOM 294 OE2 GLU A 17 14.598 -6.827 5.234 1.00 52.24 O ATOM 0 H GLU A 17 11.449 -6.584 2.325 1.00 12.53 H new ATOM 0 HA GLU A 17 11.800 -6.416 5.105 1.00 73.42 H new ATOM 0 HB2 GLU A 17 11.947 -4.451 2.776 1.00 24.33 H new ATOM 0 HB3 GLU A 17 12.250 -3.914 4.417 1.00 24.33 H new ATOM 0 HG2 GLU A 17 13.829 -6.070 2.944 1.00 14.32 H new ATOM 0 HG3 GLU A 17 14.349 -4.413 3.183 1.00 14.32 H new ATOM 301 N ALA A 18 9.188 -4.732 3.949 1.00 21.44 N ATOM 302 CA ALA A 18 7.922 -4.085 4.299 1.00 42.30 C ATOM 303 C ALA A 18 6.928 -5.100 4.897 1.00 64.10 C ATOM 304 O ALA A 18 6.239 -4.802 5.880 1.00 40.21 O ATOM 305 CB ALA A 18 7.333 -3.415 3.053 1.00 51.03 C ATOM 0 H ALA A 18 9.357 -4.781 2.944 1.00 21.44 H new ATOM 0 HA ALA A 18 8.110 -3.326 5.059 1.00 42.30 H new ATOM 0 HB1 ALA A 18 6.390 -2.932 3.311 1.00 51.03 H new ATOM 0 HB2 ALA A 18 8.032 -2.668 2.677 1.00 51.03 H new ATOM 0 HB3 ALA A 18 7.157 -4.167 2.284 1.00 51.03 H new ATOM 311 N ARG A 19 6.887 -6.310 4.289 1.00 2.34 N ATOM 312 CA ARG A 19 5.982 -7.402 4.702 1.00 20.32 C ATOM 313 C ARG A 19 6.279 -7.860 6.139 1.00 24.41 C ATOM 314 O ARG A 19 5.352 -8.184 6.883 1.00 21.41 O ATOM 315 CB ARG A 19 6.082 -8.601 3.721 1.00 23.34 C ATOM 316 CG ARG A 19 5.023 -9.713 3.945 1.00 43.20 C ATOM 317 CD ARG A 19 5.337 -10.990 3.149 1.00 31.53 C ATOM 318 NE ARG A 19 6.658 -11.544 3.506 1.00 40.25 N ATOM 319 CZ ARG A 19 7.481 -12.195 2.661 1.00 55.45 C ATOM 320 NH1 ARG A 19 7.128 -12.397 1.396 1.00 53.23 N ATOM 321 NH2 ARG A 19 8.666 -12.616 3.078 1.00 33.42 N ATOM 0 H ARG A 19 7.483 -6.553 3.498 1.00 2.34 H new ATOM 0 HA ARG A 19 4.964 -7.015 4.675 1.00 20.32 H new ATOM 0 HB2 ARG A 19 5.987 -8.227 2.701 1.00 23.34 H new ATOM 0 HB3 ARG A 19 7.075 -9.042 3.807 1.00 23.34 H new ATOM 0 HG2 ARG A 19 4.972 -9.953 5.007 1.00 43.20 H new ATOM 0 HG3 ARG A 19 4.041 -9.339 3.655 1.00 43.20 H new ATOM 0 HD2 ARG A 19 4.566 -11.736 3.339 1.00 31.53 H new ATOM 0 HD3 ARG A 19 5.311 -10.769 2.082 1.00 31.53 H new ATOM 0 HE ARG A 19 6.973 -11.424 4.469 1.00 40.25 H new ATOM 0 HH11 ARG A 19 6.227 -12.058 1.057 1.00 53.23 H new ATOM 0 HH12 ARG A 19 7.758 -12.891 0.763 1.00 53.23 H new ATOM 0 HH21 ARG A 19 8.957 -12.448 4.041 1.00 33.42 H new ATOM 0 HH22 ARG A 19 9.287 -13.109 2.436 1.00 33.42 H new ATOM 335 N LYS A 20 7.577 -7.852 6.523 1.00 3.24 N ATOM 336 CA LYS A 20 7.999 -8.190 7.894 1.00 42.11 C ATOM 337 C LYS A 20 7.364 -7.223 8.911 1.00 52.23 C ATOM 338 O LYS A 20 6.795 -7.660 9.911 1.00 25.13 O ATOM 339 CB LYS A 20 9.549 -8.163 8.035 1.00 22.10 C ATOM 340 CG LYS A 20 10.342 -9.323 7.371 1.00 71.23 C ATOM 341 CD LYS A 20 10.085 -10.734 7.994 1.00 65.51 C ATOM 342 CE LYS A 20 8.891 -11.474 7.375 1.00 21.12 C ATOM 343 NZ LYS A 20 8.626 -12.789 8.020 1.00 64.14 N ATOM 0 H LYS A 20 8.348 -7.614 5.898 1.00 3.24 H new ATOM 0 HA LYS A 20 7.655 -9.203 8.102 1.00 42.11 H new ATOM 0 HB2 LYS A 20 9.910 -7.224 7.616 1.00 22.10 H new ATOM 0 HB3 LYS A 20 9.792 -8.153 9.098 1.00 22.10 H new ATOM 0 HG2 LYS A 20 10.089 -9.358 6.311 1.00 71.23 H new ATOM 0 HG3 LYS A 20 11.407 -9.101 7.437 1.00 71.23 H new ATOM 0 HD2 LYS A 20 10.981 -11.343 7.873 1.00 65.51 H new ATOM 0 HD3 LYS A 20 9.917 -10.623 9.065 1.00 65.51 H new ATOM 0 HE2 LYS A 20 8.001 -10.849 7.456 1.00 21.12 H new ATOM 0 HE3 LYS A 20 9.077 -11.627 6.312 1.00 21.12 H new ATOM 0 HZ1 LYS A 20 8.856 -13.555 7.355 1.00 64.14 H new ATOM 0 HZ2 LYS A 20 9.215 -12.883 8.872 1.00 64.14 H new ATOM 0 HZ3 LYS A 20 7.622 -12.850 8.285 1.00 64.14 H new ATOM 357 N MET A 21 7.446 -5.913 8.611 1.00 0.43 N ATOM 358 CA MET A 21 6.872 -4.850 9.460 1.00 32.31 C ATOM 359 C MET A 21 5.342 -4.936 9.540 1.00 21.53 C ATOM 360 O MET A 21 4.760 -4.647 10.589 1.00 21.21 O ATOM 361 CB MET A 21 7.319 -3.454 8.951 1.00 31.30 C ATOM 362 CG MET A 21 8.745 -3.074 9.368 1.00 1.01 C ATOM 363 SD MET A 21 8.970 -3.021 11.162 1.00 32.03 S ATOM 364 CE MET A 21 7.680 -1.875 11.653 1.00 31.00 C ATOM 0 H MET A 21 7.911 -5.561 7.774 1.00 0.43 H new ATOM 0 HA MET A 21 7.252 -4.997 10.471 1.00 32.31 H new ATOM 0 HB2 MET A 21 7.251 -3.434 7.863 1.00 31.30 H new ATOM 0 HB3 MET A 21 6.627 -2.701 9.328 1.00 31.30 H new ATOM 0 HG2 MET A 21 9.445 -3.792 8.941 1.00 1.01 H new ATOM 0 HG3 MET A 21 8.992 -2.099 8.948 1.00 1.01 H new ATOM 0 HE1 MET A 21 8.044 -1.242 12.462 1.00 31.00 H new ATOM 0 HE2 MET A 21 7.403 -1.253 10.802 1.00 31.00 H new ATOM 0 HE3 MET A 21 6.808 -2.433 11.994 1.00 31.00 H new ATOM 374 N ALA A 22 4.708 -5.323 8.426 1.00 44.13 N ATOM 375 CA ALA A 22 3.257 -5.527 8.365 1.00 54.22 C ATOM 376 C ALA A 22 2.814 -6.728 9.224 1.00 11.25 C ATOM 377 O ALA A 22 1.785 -6.659 9.884 1.00 22.41 O ATOM 378 CB ALA A 22 2.821 -5.705 6.911 1.00 2.21 C ATOM 0 H ALA A 22 5.186 -5.503 7.543 1.00 44.13 H new ATOM 0 HA ALA A 22 2.770 -4.643 8.777 1.00 54.22 H new ATOM 0 HB1 ALA A 22 1.742 -5.856 6.871 1.00 2.21 H new ATOM 0 HB2 ALA A 22 3.084 -4.814 6.341 1.00 2.21 H new ATOM 0 HB3 ALA A 22 3.325 -6.572 6.483 1.00 2.21 H new ATOM 384 N GLU A 23 3.621 -7.814 9.213 1.00 33.43 N ATOM 385 CA GLU A 23 3.374 -9.019 10.037 1.00 72.10 C ATOM 386 C GLU A 23 3.491 -8.688 11.542 1.00 22.12 C ATOM 387 O GLU A 23 2.655 -9.110 12.346 1.00 0.10 O ATOM 388 CB GLU A 23 4.372 -10.150 9.650 1.00 0.43 C ATOM 389 CG GLU A 23 4.134 -10.800 8.259 1.00 41.01 C ATOM 390 CD GLU A 23 5.290 -11.713 7.801 1.00 15.33 C ATOM 391 OE1 GLU A 23 5.761 -12.549 8.604 1.00 21.41 O ATOM 392 OE2 GLU A 23 5.736 -11.607 6.634 1.00 15.14 O ATOM 0 H GLU A 23 4.459 -7.879 8.635 1.00 33.43 H new ATOM 0 HA GLU A 23 2.359 -9.366 9.843 1.00 72.10 H new ATOM 0 HB2 GLU A 23 5.383 -9.743 9.674 1.00 0.43 H new ATOM 0 HB3 GLU A 23 4.324 -10.930 10.410 1.00 0.43 H new ATOM 0 HG2 GLU A 23 3.213 -11.382 8.291 1.00 41.01 H new ATOM 0 HG3 GLU A 23 3.988 -10.013 7.519 1.00 41.01 H new ATOM 399 N LYS A 24 4.530 -7.896 11.885 1.00 62.14 N ATOM 400 CA LYS A 24 4.786 -7.418 13.265 1.00 62.31 C ATOM 401 C LYS A 24 3.625 -6.535 13.768 1.00 52.33 C ATOM 402 O LYS A 24 3.158 -6.680 14.906 1.00 70.35 O ATOM 403 CB LYS A 24 6.106 -6.605 13.293 1.00 62.10 C ATOM 404 CG LYS A 24 7.389 -7.431 13.027 1.00 54.12 C ATOM 405 CD LYS A 24 8.635 -6.531 12.768 1.00 71.25 C ATOM 406 CE LYS A 24 8.872 -5.486 13.877 1.00 13.14 C ATOM 407 NZ LYS A 24 10.032 -4.602 13.584 1.00 72.41 N ATOM 0 H LYS A 24 5.220 -7.567 11.209 1.00 62.14 H new ATOM 0 HA LYS A 24 4.869 -8.284 13.921 1.00 62.31 H new ATOM 0 HB2 LYS A 24 6.042 -5.811 12.549 1.00 62.10 H new ATOM 0 HB3 LYS A 24 6.198 -6.123 14.266 1.00 62.10 H new ATOM 0 HG2 LYS A 24 7.584 -8.079 13.882 1.00 54.12 H new ATOM 0 HG3 LYS A 24 7.228 -8.079 12.166 1.00 54.12 H new ATOM 0 HD2 LYS A 24 9.519 -7.163 12.678 1.00 71.25 H new ATOM 0 HD3 LYS A 24 8.512 -6.018 11.814 1.00 71.25 H new ATOM 0 HE2 LYS A 24 7.976 -4.877 13.997 1.00 13.14 H new ATOM 0 HE3 LYS A 24 9.039 -5.998 14.825 1.00 13.14 H new ATOM 0 HZ1 LYS A 24 10.224 -3.997 14.408 1.00 72.41 H new ATOM 0 HZ2 LYS A 24 10.869 -5.184 13.379 1.00 72.41 H new ATOM 0 HZ3 LYS A 24 9.815 -4.006 12.760 1.00 72.41 H new ATOM 421 N ALA A 25 3.174 -5.629 12.883 1.00 31.01 N ATOM 422 CA ALA A 25 2.066 -4.692 13.154 1.00 62.41 C ATOM 423 C ALA A 25 0.695 -5.379 12.983 1.00 11.05 C ATOM 424 O ALA A 25 -0.342 -4.766 13.268 1.00 12.34 O ATOM 425 CB ALA A 25 2.198 -3.466 12.236 1.00 41.23 C ATOM 0 H ALA A 25 3.572 -5.524 11.949 1.00 31.01 H new ATOM 0 HA ALA A 25 2.127 -4.363 14.191 1.00 62.41 H new ATOM 0 HB1 ALA A 25 1.381 -2.773 12.435 1.00 41.23 H new ATOM 0 HB2 ALA A 25 3.149 -2.969 12.427 1.00 41.23 H new ATOM 0 HB3 ALA A 25 2.158 -3.785 11.195 1.00 41.23 H new ATOM 431 N ASN A 26 0.730 -6.645 12.487 1.00 63.50 N ATOM 432 CA ASN A 26 -0.446 -7.529 12.282 1.00 1.43 C ATOM 433 C ASN A 26 -1.375 -6.982 11.160 1.00 41.32 C ATOM 434 O ASN A 26 -2.515 -7.423 11.008 1.00 41.41 O ATOM 435 CB ASN A 26 -1.186 -7.779 13.647 1.00 73.02 C ATOM 436 CG ASN A 26 -2.243 -8.900 13.654 1.00 30.13 C ATOM 437 OD1 ASN A 26 -2.032 -9.964 12.885 1.00 2.12 O flip ATOM 438 ND2 ASN A 26 -3.241 -8.819 14.372 1.00 14.21 N flip ATOM 0 H ASN A 26 1.605 -7.091 12.211 1.00 63.50 H new ATOM 0 HA ASN A 26 -0.105 -8.503 11.930 1.00 1.43 H new ATOM 0 HB2 ASN A 26 -0.437 -8.010 14.405 1.00 73.02 H new ATOM 0 HB3 ASN A 26 -1.670 -6.850 13.949 1.00 73.02 H new ATOM 0 HD21 ASN A 26 -3.384 -7.994 14.955 1.00 14.21 H new ATOM 0 HD22 ASN A 26 -3.924 -9.577 14.384 1.00 14.21 H new ATOM 445 N LEU A 27 -0.840 -6.042 10.348 1.00 40.13 N ATOM 446 CA LEU A 27 -1.534 -5.466 9.178 1.00 53.21 C ATOM 447 C LEU A 27 -1.506 -6.441 7.986 1.00 20.21 C ATOM 448 O LEU A 27 -0.538 -7.196 7.817 1.00 51.42 O ATOM 449 CB LEU A 27 -0.884 -4.113 8.769 1.00 73.13 C ATOM 450 CG LEU A 27 -0.816 -3.014 9.879 1.00 54.20 C ATOM 451 CD1 LEU A 27 -0.164 -1.716 9.349 1.00 4.13 C ATOM 452 CD2 LEU A 27 -2.207 -2.738 10.481 1.00 63.32 C ATOM 0 H LEU A 27 0.095 -5.660 10.490 1.00 40.13 H new ATOM 0 HA LEU A 27 -2.572 -5.290 9.459 1.00 53.21 H new ATOM 0 HB2 LEU A 27 0.130 -4.312 8.422 1.00 73.13 H new ATOM 0 HB3 LEU A 27 -1.438 -3.710 7.921 1.00 73.13 H new ATOM 0 HG LEU A 27 -0.182 -3.396 10.679 1.00 54.20 H new ATOM 0 HD11 LEU A 27 -0.132 -0.973 10.146 1.00 4.13 H new ATOM 0 HD12 LEU A 27 0.850 -1.930 9.012 1.00 4.13 H new ATOM 0 HD13 LEU A 27 -0.750 -1.329 8.515 1.00 4.13 H new ATOM 0 HD21 LEU A 27 -2.125 -1.969 11.249 1.00 63.32 H new ATOM 0 HD22 LEU A 27 -2.882 -2.396 9.696 1.00 63.32 H new ATOM 0 HD23 LEU A 27 -2.600 -3.653 10.924 1.00 63.32 H new ATOM 464 N GLU A 28 -2.570 -6.414 7.167 1.00 34.01 N ATOM 465 CA GLU A 28 -2.679 -7.238 5.954 1.00 31.20 C ATOM 466 C GLU A 28 -1.984 -6.518 4.777 1.00 54.43 C ATOM 467 O GLU A 28 -2.471 -5.490 4.290 1.00 43.13 O ATOM 468 CB GLU A 28 -4.171 -7.536 5.610 1.00 55.31 C ATOM 469 CG GLU A 28 -4.898 -8.506 6.573 1.00 32.14 C ATOM 470 CD GLU A 28 -5.108 -7.955 7.993 1.00 52.21 C ATOM 471 OE1 GLU A 28 -6.004 -7.109 8.185 1.00 63.35 O ATOM 472 OE2 GLU A 28 -4.383 -8.367 8.924 1.00 73.32 O ATOM 0 H GLU A 28 -3.381 -5.817 7.329 1.00 34.01 H new ATOM 0 HA GLU A 28 -2.185 -8.193 6.134 1.00 31.20 H new ATOM 0 HB2 GLU A 28 -4.717 -6.593 5.593 1.00 55.31 H new ATOM 0 HB3 GLU A 28 -4.217 -7.950 4.603 1.00 55.31 H new ATOM 0 HG2 GLU A 28 -5.869 -8.760 6.148 1.00 32.14 H new ATOM 0 HG3 GLU A 28 -4.326 -9.432 6.637 1.00 32.14 H new ATOM 479 N LEU A 29 -0.841 -7.067 4.339 1.00 45.40 N ATOM 480 CA LEU A 29 -0.054 -6.525 3.224 1.00 71.03 C ATOM 481 C LEU A 29 -0.269 -7.418 2.004 1.00 22.31 C ATOM 482 O LEU A 29 -0.059 -8.634 2.068 1.00 51.51 O ATOM 483 CB LEU A 29 1.452 -6.411 3.605 1.00 13.13 C ATOM 484 CG LEU A 29 2.434 -5.867 2.485 1.00 34.11 C ATOM 485 CD1 LEU A 29 3.536 -4.973 3.082 1.00 70.21 C ATOM 486 CD2 LEU A 29 3.079 -7.012 1.665 1.00 72.04 C ATOM 0 H LEU A 29 -0.435 -7.906 4.753 1.00 45.40 H new ATOM 0 HA LEU A 29 -0.387 -5.514 2.989 1.00 71.03 H new ATOM 0 HB2 LEU A 29 1.534 -5.759 4.475 1.00 13.13 H new ATOM 0 HB3 LEU A 29 1.800 -7.397 3.912 1.00 13.13 H new ATOM 0 HG LEU A 29 1.822 -5.268 1.811 1.00 34.11 H new ATOM 0 HD11 LEU A 29 4.189 -4.619 2.284 1.00 70.21 H new ATOM 0 HD12 LEU A 29 3.080 -4.119 3.583 1.00 70.21 H new ATOM 0 HD13 LEU A 29 4.120 -5.547 3.802 1.00 70.21 H new ATOM 0 HD21 LEU A 29 3.743 -6.590 0.911 1.00 72.04 H new ATOM 0 HD22 LEU A 29 3.651 -7.659 2.331 1.00 72.04 H new ATOM 0 HD23 LEU A 29 2.298 -7.594 1.176 1.00 72.04 H new ATOM 498 N ARG A 30 -0.715 -6.806 0.904 1.00 44.23 N ATOM 499 CA ARG A 30 -0.950 -7.481 -0.371 1.00 54.32 C ATOM 500 C ARG A 30 0.079 -6.935 -1.368 1.00 72.23 C ATOM 501 O ARG A 30 0.248 -5.711 -1.476 1.00 63.35 O ATOM 502 CB ARG A 30 -2.399 -7.207 -0.861 1.00 43.04 C ATOM 503 CG ARG A 30 -3.545 -7.601 0.115 1.00 2.54 C ATOM 504 CD ARG A 30 -3.710 -9.125 0.321 1.00 33.44 C ATOM 505 NE ARG A 30 -2.671 -9.712 1.195 1.00 71.11 N ATOM 506 CZ ARG A 30 -2.890 -10.386 2.343 1.00 71.23 C ATOM 507 NH1 ARG A 30 -4.126 -10.601 2.806 1.00 15.35 N ATOM 508 NH2 ARG A 30 -1.858 -10.842 3.031 1.00 44.20 N ATOM 0 H ARG A 30 -0.926 -5.809 0.876 1.00 44.23 H new ATOM 0 HA ARG A 30 -0.841 -8.561 -0.270 1.00 54.32 H new ATOM 0 HB2 ARG A 30 -2.489 -6.144 -1.083 1.00 43.04 H new ATOM 0 HB3 ARG A 30 -2.550 -7.742 -1.799 1.00 43.04 H new ATOM 0 HG2 ARG A 30 -3.360 -7.133 1.082 1.00 2.54 H new ATOM 0 HG3 ARG A 30 -4.483 -7.193 -0.261 1.00 2.54 H new ATOM 0 HD2 ARG A 30 -4.692 -9.322 0.752 1.00 33.44 H new ATOM 0 HD3 ARG A 30 -3.682 -9.621 -0.649 1.00 33.44 H new ATOM 0 HE ARG A 30 -1.700 -9.597 0.903 1.00 71.11 H new ATOM 0 HH11 ARG A 30 -4.932 -10.252 2.288 1.00 15.35 H new ATOM 0 HH12 ARG A 30 -4.262 -11.114 3.677 1.00 15.35 H new ATOM 0 HH21 ARG A 30 -0.909 -10.683 2.693 1.00 44.20 H new ATOM 0 HH22 ARG A 30 -2.010 -11.353 3.900 1.00 44.20 H new ATOM 522 N THR A 31 0.789 -7.832 -2.071 1.00 13.45 N ATOM 523 CA THR A 31 1.834 -7.439 -3.025 1.00 34.25 C ATOM 524 C THR A 31 1.185 -7.095 -4.374 1.00 64.12 C ATOM 525 O THR A 31 0.517 -7.938 -4.983 1.00 70.55 O ATOM 526 CB THR A 31 2.906 -8.572 -3.180 1.00 42.45 C ATOM 527 OG1 THR A 31 2.304 -9.772 -3.688 1.00 5.35 O ATOM 528 CG2 THR A 31 3.568 -8.892 -1.832 1.00 2.31 C ATOM 0 H THR A 31 0.656 -8.840 -1.994 1.00 13.45 H new ATOM 0 HA THR A 31 2.352 -6.557 -2.648 1.00 34.25 H new ATOM 0 HB THR A 31 3.660 -8.211 -3.879 1.00 42.45 H new ATOM 0 HG1 THR A 31 1.514 -9.542 -4.220 1.00 5.35 H new ATOM 0 HG21 THR A 31 4.307 -9.681 -1.968 1.00 2.31 H new ATOM 0 HG22 THR A 31 4.058 -7.998 -1.446 1.00 2.31 H new ATOM 0 HG23 THR A 31 2.809 -9.224 -1.124 1.00 2.31 H new ATOM 536 N VAL A 32 1.327 -5.831 -4.784 1.00 51.14 N ATOM 537 CA VAL A 32 0.785 -5.310 -6.044 1.00 20.10 C ATOM 538 C VAL A 32 1.920 -5.162 -7.073 1.00 71.35 C ATOM 539 O VAL A 32 3.005 -4.662 -6.748 1.00 41.02 O ATOM 540 CB VAL A 32 0.092 -3.921 -5.799 1.00 35.51 C ATOM 541 CG1 VAL A 32 -0.397 -3.293 -7.118 1.00 44.05 C ATOM 542 CG2 VAL A 32 -1.058 -4.047 -4.772 1.00 4.10 C ATOM 0 H VAL A 32 1.830 -5.129 -4.241 1.00 51.14 H new ATOM 0 HA VAL A 32 0.042 -6.008 -6.430 1.00 20.10 H new ATOM 0 HB VAL A 32 0.840 -3.248 -5.379 1.00 35.51 H new ATOM 0 HG11 VAL A 32 -0.871 -2.334 -6.910 1.00 44.05 H new ATOM 0 HG12 VAL A 32 0.451 -3.142 -7.785 1.00 44.05 H new ATOM 0 HG13 VAL A 32 -1.118 -3.959 -7.593 1.00 44.05 H new ATOM 0 HG21 VAL A 32 -1.520 -3.071 -4.621 1.00 4.10 H new ATOM 0 HG22 VAL A 32 -1.804 -4.748 -5.146 1.00 4.10 H new ATOM 0 HG23 VAL A 32 -0.661 -4.411 -3.824 1.00 4.10 H new ATOM 552 N LYS A 33 1.680 -5.636 -8.307 1.00 42.42 N ATOM 553 CA LYS A 33 2.621 -5.482 -9.423 1.00 11.30 C ATOM 554 C LYS A 33 2.124 -4.374 -10.364 1.00 22.32 C ATOM 555 O LYS A 33 2.687 -3.270 -10.389 1.00 15.33 O ATOM 556 CB LYS A 33 2.810 -6.847 -10.155 1.00 70.11 C ATOM 557 CG LYS A 33 3.431 -7.995 -9.295 1.00 10.13 C ATOM 558 CD LYS A 33 4.984 -7.955 -9.166 1.00 13.44 C ATOM 559 CE LYS A 33 5.542 -6.832 -8.269 1.00 43.15 C ATOM 560 NZ LYS A 33 7.020 -6.747 -8.369 1.00 50.00 N ATOM 0 H LYS A 33 0.827 -6.137 -8.556 1.00 42.42 H new ATOM 0 HA LYS A 33 3.600 -5.182 -9.050 1.00 11.30 H new ATOM 0 HB2 LYS A 33 1.839 -7.178 -10.524 1.00 70.11 H new ATOM 0 HB3 LYS A 33 3.445 -6.687 -11.027 1.00 70.11 H new ATOM 0 HG2 LYS A 33 2.997 -7.955 -8.296 1.00 10.13 H new ATOM 0 HG3 LYS A 33 3.142 -8.952 -9.730 1.00 10.13 H new ATOM 0 HD2 LYS A 33 5.324 -8.913 -8.774 1.00 13.44 H new ATOM 0 HD3 LYS A 33 5.412 -7.848 -10.163 1.00 13.44 H new ATOM 0 HE2 LYS A 33 5.100 -5.879 -8.559 1.00 43.15 H new ATOM 0 HE3 LYS A 33 5.255 -7.014 -7.233 1.00 43.15 H new ATOM 0 HZ1 LYS A 33 7.365 -5.972 -7.768 1.00 50.00 H new ATOM 0 HZ2 LYS A 33 7.441 -7.644 -8.053 1.00 50.00 H new ATOM 0 HZ3 LYS A 33 7.291 -6.566 -9.357 1.00 50.00 H new ATOM 574 N THR A 34 1.039 -4.657 -11.094 1.00 42.13 N ATOM 575 CA THR A 34 0.442 -3.716 -12.058 1.00 73.42 C ATOM 576 C THR A 34 -0.675 -2.882 -11.406 1.00 20.12 C ATOM 577 O THR A 34 -1.105 -3.169 -10.283 1.00 74.25 O ATOM 578 CB THR A 34 -0.140 -4.500 -13.274 1.00 53.43 C ATOM 579 OG1 THR A 34 -1.093 -5.465 -12.806 1.00 74.15 O ATOM 580 CG2 THR A 34 0.961 -5.213 -14.072 1.00 32.24 C ATOM 0 H THR A 34 0.546 -5.548 -11.035 1.00 42.13 H new ATOM 0 HA THR A 34 1.226 -3.038 -12.395 1.00 73.42 H new ATOM 0 HB THR A 34 -0.622 -3.782 -13.937 1.00 53.43 H new ATOM 0 HG1 THR A 34 -1.222 -6.156 -13.489 1.00 74.15 H new ATOM 0 HG21 THR A 34 0.515 -5.748 -14.910 1.00 32.24 H new ATOM 0 HG22 THR A 34 1.672 -4.478 -14.448 1.00 32.24 H new ATOM 0 HG23 THR A 34 1.479 -5.921 -13.425 1.00 32.24 H new ATOM 588 N GLU A 35 -1.156 -1.860 -12.139 1.00 63.43 N ATOM 589 CA GLU A 35 -2.333 -1.069 -11.730 1.00 73.52 C ATOM 590 C GLU A 35 -3.609 -1.941 -11.753 1.00 14.23 C ATOM 591 O GLU A 35 -4.560 -1.654 -11.042 1.00 3.34 O ATOM 592 CB GLU A 35 -2.497 0.185 -12.627 1.00 13.54 C ATOM 593 CG GLU A 35 -2.736 -0.124 -14.116 1.00 43.33 C ATOM 594 CD GLU A 35 -2.950 1.136 -14.955 1.00 35.51 C ATOM 595 OE1 GLU A 35 -1.957 1.739 -15.413 1.00 73.43 O ATOM 596 OE2 GLU A 35 -4.112 1.547 -15.140 1.00 24.15 O ATOM 0 H GLU A 35 -0.745 -1.561 -13.023 1.00 63.43 H new ATOM 0 HA GLU A 35 -2.176 -0.727 -10.707 1.00 73.52 H new ATOM 0 HB2 GLU A 35 -3.332 0.777 -12.253 1.00 13.54 H new ATOM 0 HB3 GLU A 35 -1.603 0.801 -12.536 1.00 13.54 H new ATOM 0 HG2 GLU A 35 -1.883 -0.676 -14.509 1.00 43.33 H new ATOM 0 HG3 GLU A 35 -3.607 -0.772 -14.213 1.00 43.33 H new ATOM 603 N ASP A 36 -3.582 -3.017 -12.572 1.00 60.12 N ATOM 604 CA ASP A 36 -4.632 -4.053 -12.621 1.00 71.24 C ATOM 605 C ASP A 36 -4.792 -4.738 -11.250 1.00 64.14 C ATOM 606 O ASP A 36 -5.913 -4.977 -10.787 1.00 61.10 O ATOM 607 CB ASP A 36 -4.266 -5.094 -13.710 1.00 41.22 C ATOM 608 CG ASP A 36 -5.261 -6.269 -13.797 1.00 43.14 C ATOM 609 OD1 ASP A 36 -6.318 -6.114 -14.443 1.00 74.43 O ATOM 610 OD2 ASP A 36 -4.988 -7.354 -13.235 1.00 72.24 O ATOM 0 H ASP A 36 -2.818 -3.190 -13.226 1.00 60.12 H new ATOM 0 HA ASP A 36 -5.585 -3.585 -12.870 1.00 71.24 H new ATOM 0 HB2 ASP A 36 -4.220 -4.595 -14.678 1.00 41.22 H new ATOM 0 HB3 ASP A 36 -3.270 -5.486 -13.506 1.00 41.22 H new ATOM 615 N GLU A 37 -3.644 -5.045 -10.617 1.00 11.45 N ATOM 616 CA GLU A 37 -3.597 -5.635 -9.273 1.00 60.43 C ATOM 617 C GLU A 37 -4.072 -4.616 -8.217 1.00 32.55 C ATOM 618 O GLU A 37 -4.813 -4.968 -7.300 1.00 2.25 O ATOM 619 CB GLU A 37 -2.152 -6.097 -8.954 1.00 25.33 C ATOM 620 CG GLU A 37 -1.551 -7.082 -9.974 1.00 42.43 C ATOM 621 CD GLU A 37 -2.283 -8.432 -10.033 1.00 0.45 C ATOM 622 OE1 GLU A 37 -1.989 -9.308 -9.194 1.00 62.54 O ATOM 623 OE2 GLU A 37 -3.137 -8.632 -10.920 1.00 35.20 O ATOM 0 H GLU A 37 -2.723 -4.889 -11.027 1.00 11.45 H new ATOM 0 HA GLU A 37 -4.264 -6.496 -9.245 1.00 60.43 H new ATOM 0 HB2 GLU A 37 -1.509 -5.219 -8.895 1.00 25.33 H new ATOM 0 HB3 GLU A 37 -2.144 -6.565 -7.969 1.00 25.33 H new ATOM 0 HG2 GLU A 37 -1.571 -6.624 -10.963 1.00 42.43 H new ATOM 0 HG3 GLU A 37 -0.504 -7.257 -9.724 1.00 42.43 H new ATOM 630 N LEU A 38 -3.646 -3.347 -8.392 1.00 23.42 N ATOM 631 CA LEU A 38 -3.962 -2.236 -7.467 1.00 72.51 C ATOM 632 C LEU A 38 -5.497 -2.040 -7.387 1.00 11.14 C ATOM 633 O LEU A 38 -6.079 -2.034 -6.293 1.00 33.24 O ATOM 634 CB LEU A 38 -3.218 -0.942 -7.954 1.00 62.33 C ATOM 635 CG LEU A 38 -2.961 0.213 -6.911 1.00 72.24 C ATOM 636 CD1 LEU A 38 -4.237 0.983 -6.524 1.00 21.31 C ATOM 637 CD2 LEU A 38 -2.238 -0.320 -5.655 1.00 45.31 C ATOM 0 H LEU A 38 -3.070 -3.062 -9.184 1.00 23.42 H new ATOM 0 HA LEU A 38 -3.616 -2.464 -6.459 1.00 72.51 H new ATOM 0 HB2 LEU A 38 -2.252 -1.246 -8.357 1.00 62.33 H new ATOM 0 HB3 LEU A 38 -3.790 -0.521 -8.781 1.00 62.33 H new ATOM 0 HG LEU A 38 -2.311 0.930 -7.412 1.00 72.24 H new ATOM 0 HD11 LEU A 38 -3.987 1.762 -5.804 1.00 21.31 H new ATOM 0 HD12 LEU A 38 -4.672 1.437 -7.414 1.00 21.31 H new ATOM 0 HD13 LEU A 38 -4.956 0.295 -6.079 1.00 21.31 H new ATOM 0 HD21 LEU A 38 -2.075 0.499 -4.954 1.00 45.31 H new ATOM 0 HD22 LEU A 38 -2.850 -1.087 -5.181 1.00 45.31 H new ATOM 0 HD23 LEU A 38 -1.278 -0.749 -5.942 1.00 45.31 H new ATOM 649 N LYS A 39 -6.125 -1.958 -8.575 1.00 73.45 N ATOM 650 CA LYS A 39 -7.583 -1.792 -8.723 1.00 40.10 C ATOM 651 C LYS A 39 -8.344 -3.013 -8.174 1.00 62.50 C ATOM 652 O LYS A 39 -9.370 -2.853 -7.521 1.00 21.42 O ATOM 653 CB LYS A 39 -7.948 -1.588 -10.219 1.00 71.21 C ATOM 654 CG LYS A 39 -7.382 -0.301 -10.850 1.00 1.34 C ATOM 655 CD LYS A 39 -7.462 -0.295 -12.400 1.00 55.11 C ATOM 656 CE LYS A 39 -8.900 -0.398 -12.939 1.00 63.13 C ATOM 657 NZ LYS A 39 -8.939 -0.415 -14.431 1.00 52.52 N ATOM 0 H LYS A 39 -5.631 -2.005 -9.466 1.00 73.45 H new ATOM 0 HA LYS A 39 -7.877 -0.914 -8.149 1.00 40.10 H new ATOM 0 HB2 LYS A 39 -7.586 -2.445 -10.787 1.00 71.21 H new ATOM 0 HB3 LYS A 39 -9.034 -1.577 -10.316 1.00 71.21 H new ATOM 0 HG2 LYS A 39 -7.929 0.558 -10.461 1.00 1.34 H new ATOM 0 HG3 LYS A 39 -6.342 -0.181 -10.546 1.00 1.34 H new ATOM 0 HD2 LYS A 39 -7.006 0.621 -12.776 1.00 55.11 H new ATOM 0 HD3 LYS A 39 -6.875 -1.127 -12.790 1.00 55.11 H new ATOM 0 HE2 LYS A 39 -9.367 -1.304 -12.554 1.00 63.13 H new ATOM 0 HE3 LYS A 39 -9.486 0.444 -12.571 1.00 63.13 H new ATOM 0 HZ1 LYS A 39 -9.926 -0.485 -14.752 1.00 52.52 H new ATOM 0 HZ2 LYS A 39 -8.517 0.461 -14.799 1.00 52.52 H new ATOM 0 HZ3 LYS A 39 -8.402 -1.233 -14.783 1.00 52.52 H new ATOM 671 N LYS A 40 -7.799 -4.221 -8.450 1.00 71.03 N ATOM 672 CA LYS A 40 -8.375 -5.514 -8.018 1.00 71.23 C ATOM 673 C LYS A 40 -8.571 -5.546 -6.493 1.00 3.41 C ATOM 674 O LYS A 40 -9.652 -5.884 -5.997 1.00 63.01 O ATOM 675 CB LYS A 40 -7.414 -6.653 -8.460 1.00 21.44 C ATOM 676 CG LYS A 40 -7.796 -8.088 -8.026 1.00 32.14 C ATOM 677 CD LYS A 40 -6.724 -9.160 -8.386 1.00 11.21 C ATOM 678 CE LYS A 40 -6.588 -9.456 -9.900 1.00 43.14 C ATOM 679 NZ LYS A 40 -5.991 -8.333 -10.686 1.00 52.10 N ATOM 0 H LYS A 40 -6.937 -4.325 -8.985 1.00 71.03 H new ATOM 0 HA LYS A 40 -9.353 -5.648 -8.480 1.00 71.23 H new ATOM 0 HB2 LYS A 40 -7.340 -6.634 -9.547 1.00 21.44 H new ATOM 0 HB3 LYS A 40 -6.421 -6.432 -8.069 1.00 21.44 H new ATOM 0 HG2 LYS A 40 -7.961 -8.100 -6.949 1.00 32.14 H new ATOM 0 HG3 LYS A 40 -8.741 -8.360 -8.496 1.00 32.14 H new ATOM 0 HD2 LYS A 40 -5.757 -8.829 -8.006 1.00 11.21 H new ATOM 0 HD3 LYS A 40 -6.969 -10.088 -7.869 1.00 11.21 H new ATOM 0 HE2 LYS A 40 -5.973 -10.346 -10.032 1.00 43.14 H new ATOM 0 HE3 LYS A 40 -7.573 -9.686 -10.305 1.00 43.14 H new ATOM 0 HZ1 LYS A 40 -6.667 -8.018 -11.411 1.00 52.10 H new ATOM 0 HZ2 LYS A 40 -5.773 -7.541 -10.049 1.00 52.10 H new ATOM 0 HZ3 LYS A 40 -5.117 -8.658 -11.146 1.00 52.10 H new ATOM 693 N TYR A 41 -7.512 -5.133 -5.773 1.00 3.44 N ATOM 694 CA TYR A 41 -7.512 -5.093 -4.304 1.00 74.02 C ATOM 695 C TYR A 41 -8.459 -4.006 -3.786 1.00 21.11 C ATOM 696 O TYR A 41 -9.138 -4.217 -2.780 1.00 20.55 O ATOM 697 CB TYR A 41 -6.074 -4.919 -3.746 1.00 23.44 C ATOM 698 CG TYR A 41 -5.225 -6.193 -3.895 1.00 30.30 C ATOM 699 CD1 TYR A 41 -5.619 -7.379 -3.271 1.00 53.21 C ATOM 700 CD2 TYR A 41 -4.059 -6.227 -4.668 1.00 1.31 C ATOM 701 CE1 TYR A 41 -4.895 -8.539 -3.418 1.00 0.31 C ATOM 702 CE2 TYR A 41 -3.326 -7.392 -4.810 1.00 55.21 C ATOM 703 CZ TYR A 41 -3.751 -8.541 -4.186 1.00 4.54 C ATOM 704 OH TYR A 41 -3.046 -9.710 -4.339 1.00 5.21 O ATOM 0 H TYR A 41 -6.637 -4.819 -6.193 1.00 3.44 H new ATOM 0 HA TYR A 41 -7.884 -6.051 -3.940 1.00 74.02 H new ATOM 0 HB2 TYR A 41 -5.583 -4.097 -4.266 1.00 23.44 H new ATOM 0 HB3 TYR A 41 -6.128 -4.643 -2.693 1.00 23.44 H new ATOM 0 HD1 TYR A 41 -6.510 -7.385 -2.661 1.00 53.21 H new ATOM 0 HD2 TYR A 41 -3.725 -5.327 -5.163 1.00 1.31 H new ATOM 0 HE1 TYR A 41 -5.222 -9.446 -2.932 1.00 0.31 H new ATOM 0 HE2 TYR A 41 -2.426 -7.399 -5.407 1.00 55.21 H new ATOM 0 HH TYR A 41 -2.265 -9.549 -4.909 1.00 5.21 H new ATOM 714 N LEU A 42 -8.518 -2.854 -4.490 1.00 41.21 N ATOM 715 CA LEU A 42 -9.459 -1.765 -4.157 1.00 73.22 C ATOM 716 C LEU A 42 -10.940 -2.221 -4.263 1.00 63.41 C ATOM 717 O LEU A 42 -11.758 -1.817 -3.447 1.00 14.01 O ATOM 718 CB LEU A 42 -9.212 -0.522 -5.052 1.00 23.11 C ATOM 719 CG LEU A 42 -7.857 0.236 -4.849 1.00 2.41 C ATOM 720 CD1 LEU A 42 -7.734 1.408 -5.845 1.00 21.30 C ATOM 721 CD2 LEU A 42 -7.690 0.731 -3.394 1.00 41.23 C ATOM 0 H LEU A 42 -7.923 -2.655 -5.294 1.00 41.21 H new ATOM 0 HA LEU A 42 -9.271 -1.491 -3.119 1.00 73.22 H new ATOM 0 HB2 LEU A 42 -9.273 -0.836 -6.094 1.00 23.11 H new ATOM 0 HB3 LEU A 42 -10.025 0.184 -4.884 1.00 23.11 H new ATOM 0 HG LEU A 42 -7.052 -0.472 -5.046 1.00 2.41 H new ATOM 0 HD11 LEU A 42 -6.786 1.922 -5.687 1.00 21.30 H new ATOM 0 HD12 LEU A 42 -7.774 1.025 -6.865 1.00 21.30 H new ATOM 0 HD13 LEU A 42 -8.556 2.107 -5.688 1.00 21.30 H new ATOM 0 HD21 LEU A 42 -6.738 1.252 -3.294 1.00 41.23 H new ATOM 0 HD22 LEU A 42 -8.504 1.412 -3.146 1.00 41.23 H new ATOM 0 HD23 LEU A 42 -7.710 -0.121 -2.715 1.00 41.23 H new ATOM 733 N GLU A 43 -11.264 -3.068 -5.265 1.00 45.13 N ATOM 734 CA GLU A 43 -12.623 -3.655 -5.426 1.00 14.33 C ATOM 735 C GLU A 43 -12.990 -4.557 -4.230 1.00 3.43 C ATOM 736 O GLU A 43 -14.145 -4.576 -3.771 1.00 62.13 O ATOM 737 CB GLU A 43 -12.717 -4.445 -6.756 1.00 41.43 C ATOM 738 CG GLU A 43 -12.478 -3.576 -7.998 1.00 54.12 C ATOM 739 CD GLU A 43 -12.598 -4.341 -9.318 1.00 72.31 C ATOM 740 OE1 GLU A 43 -11.641 -5.044 -9.700 1.00 51.41 O ATOM 741 OE2 GLU A 43 -13.652 -4.242 -9.992 1.00 53.14 O ATOM 0 H GLU A 43 -10.601 -3.365 -5.981 1.00 45.13 H new ATOM 0 HA GLU A 43 -13.341 -2.836 -5.456 1.00 14.33 H new ATOM 0 HB2 GLU A 43 -11.987 -5.254 -6.742 1.00 41.43 H new ATOM 0 HB3 GLU A 43 -13.702 -4.906 -6.828 1.00 41.43 H new ATOM 0 HG2 GLU A 43 -13.194 -2.754 -7.998 1.00 54.12 H new ATOM 0 HG3 GLU A 43 -11.484 -3.133 -7.934 1.00 54.12 H new ATOM 748 N GLU A 44 -11.978 -5.285 -3.727 1.00 73.23 N ATOM 749 CA GLU A 44 -12.085 -6.099 -2.500 1.00 5.25 C ATOM 750 C GLU A 44 -12.289 -5.208 -1.263 1.00 32.23 C ATOM 751 O GLU A 44 -12.952 -5.608 -0.313 1.00 3.52 O ATOM 752 CB GLU A 44 -10.826 -6.991 -2.344 1.00 4.51 C ATOM 753 CG GLU A 44 -10.703 -8.066 -3.441 1.00 61.42 C ATOM 754 CD GLU A 44 -9.307 -8.696 -3.542 1.00 44.10 C ATOM 755 OE1 GLU A 44 -8.972 -9.570 -2.716 1.00 73.31 O ATOM 756 OE2 GLU A 44 -8.544 -8.335 -4.460 1.00 41.23 O ATOM 0 H GLU A 44 -11.056 -5.327 -4.162 1.00 73.23 H new ATOM 0 HA GLU A 44 -12.959 -6.745 -2.586 1.00 5.25 H new ATOM 0 HB2 GLU A 44 -9.937 -6.360 -2.362 1.00 4.51 H new ATOM 0 HB3 GLU A 44 -10.852 -7.478 -1.369 1.00 4.51 H new ATOM 0 HG2 GLU A 44 -11.433 -8.853 -3.248 1.00 61.42 H new ATOM 0 HG3 GLU A 44 -10.960 -7.621 -4.402 1.00 61.42 H new ATOM 763 N PHE A 45 -11.687 -4.006 -1.285 1.00 63.04 N ATOM 764 CA PHE A 45 -11.870 -2.991 -0.225 1.00 72.53 C ATOM 765 C PHE A 45 -13.209 -2.237 -0.363 1.00 22.03 C ATOM 766 O PHE A 45 -13.709 -1.697 0.623 1.00 62.03 O ATOM 767 CB PHE A 45 -10.684 -1.985 -0.233 1.00 55.23 C ATOM 768 CG PHE A 45 -9.291 -2.619 -0.104 1.00 10.54 C ATOM 769 CD1 PHE A 45 -9.083 -3.802 0.616 1.00 71.13 C ATOM 770 CD2 PHE A 45 -8.189 -2.039 -0.729 1.00 51.14 C ATOM 771 CE1 PHE A 45 -7.825 -4.363 0.700 1.00 2.15 C ATOM 772 CE2 PHE A 45 -6.937 -2.608 -0.637 1.00 41.12 C ATOM 773 CZ PHE A 45 -6.754 -3.770 0.073 1.00 41.12 C ATOM 0 H PHE A 45 -11.062 -3.709 -2.034 1.00 63.04 H new ATOM 0 HA PHE A 45 -11.892 -3.519 0.728 1.00 72.53 H new ATOM 0 HB2 PHE A 45 -10.721 -1.411 -1.159 1.00 55.23 H new ATOM 0 HB3 PHE A 45 -10.822 -1.278 0.585 1.00 55.23 H new ATOM 0 HD1 PHE A 45 -9.916 -4.280 1.111 1.00 71.13 H new ATOM 0 HD2 PHE A 45 -8.318 -1.128 -1.295 1.00 51.14 H new ATOM 0 HE1 PHE A 45 -7.680 -5.274 1.262 1.00 2.15 H new ATOM 0 HE2 PHE A 45 -6.096 -2.138 -1.125 1.00 41.12 H new ATOM 0 HZ PHE A 45 -5.773 -4.216 0.139 1.00 41.12 H new ATOM 783 N ARG A 46 -13.779 -2.196 -1.590 1.00 4.24 N ATOM 784 CA ARG A 46 -15.061 -1.504 -1.852 1.00 53.13 C ATOM 785 C ARG A 46 -16.238 -2.272 -1.240 1.00 3.40 C ATOM 786 O ARG A 46 -17.115 -1.669 -0.608 1.00 15.21 O ATOM 787 CB ARG A 46 -15.315 -1.289 -3.375 1.00 13.43 C ATOM 788 CG ARG A 46 -14.457 -0.177 -4.047 1.00 25.30 C ATOM 789 CD ARG A 46 -15.178 0.485 -5.241 1.00 13.05 C ATOM 790 NE ARG A 46 -16.449 1.102 -4.823 1.00 63.43 N ATOM 791 CZ ARG A 46 -17.307 1.762 -5.618 1.00 72.12 C ATOM 792 NH1 ARG A 46 -17.063 1.934 -6.922 1.00 72.42 N ATOM 793 NH2 ARG A 46 -18.428 2.240 -5.088 1.00 43.23 N ATOM 0 H ARG A 46 -13.370 -2.635 -2.415 1.00 4.24 H new ATOM 0 HA ARG A 46 -14.985 -0.525 -1.380 1.00 53.13 H new ATOM 0 HB2 ARG A 46 -15.129 -2.230 -3.893 1.00 13.43 H new ATOM 0 HB3 ARG A 46 -16.368 -1.048 -3.520 1.00 13.43 H new ATOM 0 HG2 ARG A 46 -14.211 0.585 -3.307 1.00 25.30 H new ATOM 0 HG3 ARG A 46 -13.515 -0.606 -4.388 1.00 25.30 H new ATOM 0 HD2 ARG A 46 -14.532 1.243 -5.684 1.00 13.05 H new ATOM 0 HD3 ARG A 46 -15.370 -0.261 -6.012 1.00 13.05 H new ATOM 0 HE ARG A 46 -16.701 1.020 -3.838 1.00 63.43 H new ATOM 0 HH11 ARG A 46 -16.209 1.560 -7.335 1.00 72.42 H new ATOM 0 HH12 ARG A 46 -17.731 2.439 -7.504 1.00 72.42 H new ATOM 0 HH21 ARG A 46 -18.622 2.102 -4.096 1.00 43.23 H new ATOM 0 HH22 ARG A 46 -19.094 2.745 -5.673 1.00 43.23 H new ATOM 807 N LYS A 47 -16.237 -3.608 -1.416 1.00 54.21 N ATOM 808 CA LYS A 47 -17.332 -4.484 -0.930 1.00 44.45 C ATOM 809 C LYS A 47 -17.430 -4.471 0.613 1.00 61.42 C ATOM 810 O LYS A 47 -18.452 -4.864 1.181 1.00 51.45 O ATOM 811 CB LYS A 47 -17.130 -5.941 -1.438 1.00 13.31 C ATOM 812 CG LYS A 47 -15.921 -6.669 -0.817 1.00 0.44 C ATOM 813 CD LYS A 47 -15.720 -8.102 -1.365 1.00 40.01 C ATOM 814 CE LYS A 47 -15.431 -8.149 -2.873 1.00 43.34 C ATOM 815 NZ LYS A 47 -15.109 -9.531 -3.335 1.00 61.13 N ATOM 0 H LYS A 47 -15.488 -4.110 -1.893 1.00 54.21 H new ATOM 0 HA LYS A 47 -18.267 -4.092 -1.330 1.00 44.45 H new ATOM 0 HB2 LYS A 47 -18.032 -6.515 -1.227 1.00 13.31 H new ATOM 0 HB3 LYS A 47 -17.010 -5.922 -2.521 1.00 13.31 H new ATOM 0 HG2 LYS A 47 -15.019 -6.086 -1.005 1.00 0.44 H new ATOM 0 HG3 LYS A 47 -16.051 -6.716 0.264 1.00 0.44 H new ATOM 0 HD2 LYS A 47 -14.895 -8.574 -0.831 1.00 40.01 H new ATOM 0 HD3 LYS A 47 -16.613 -8.690 -1.156 1.00 40.01 H new ATOM 0 HE2 LYS A 47 -16.297 -7.776 -3.420 1.00 43.34 H new ATOM 0 HE3 LYS A 47 -14.597 -7.486 -3.104 1.00 43.34 H new ATOM 0 HZ1 LYS A 47 -14.920 -9.520 -4.358 1.00 61.13 H new ATOM 0 HZ2 LYS A 47 -14.268 -9.878 -2.831 1.00 61.13 H new ATOM 0 HZ3 LYS A 47 -15.914 -10.159 -3.138 1.00 61.13 H new ATOM 829 N GLU A 48 -16.348 -4.009 1.267 1.00 73.11 N ATOM 830 CA GLU A 48 -16.249 -3.921 2.731 1.00 33.03 C ATOM 831 C GLU A 48 -15.772 -2.517 3.153 1.00 41.41 C ATOM 832 O GLU A 48 -15.126 -2.365 4.202 1.00 12.43 O ATOM 833 CB GLU A 48 -15.265 -5.016 3.239 1.00 41.11 C ATOM 834 CG GLU A 48 -13.838 -4.889 2.654 1.00 40.41 C ATOM 835 CD GLU A 48 -12.887 -6.012 3.079 1.00 21.34 C ATOM 836 OE1 GLU A 48 -13.079 -7.162 2.631 1.00 13.44 O ATOM 837 OE2 GLU A 48 -11.931 -5.751 3.840 1.00 4.35 O ATOM 0 H GLU A 48 -15.510 -3.683 0.786 1.00 73.11 H new ATOM 0 HA GLU A 48 -17.230 -4.087 3.176 1.00 33.03 H new ATOM 0 HB2 GLU A 48 -15.208 -4.965 4.326 1.00 41.11 H new ATOM 0 HB3 GLU A 48 -15.666 -5.998 2.986 1.00 41.11 H new ATOM 0 HG2 GLU A 48 -13.903 -4.874 1.566 1.00 40.41 H new ATOM 0 HG3 GLU A 48 -13.414 -3.933 2.961 1.00 40.41 H new ATOM 844 N SER A 49 -16.116 -1.478 2.351 1.00 73.00 N ATOM 845 CA SER A 49 -15.733 -0.086 2.658 1.00 24.41 C ATOM 846 C SER A 49 -16.604 0.465 3.815 1.00 31.20 C ATOM 847 O SER A 49 -17.585 1.192 3.613 1.00 31.51 O ATOM 848 CB SER A 49 -15.790 0.809 1.389 1.00 62.22 C ATOM 849 OG SER A 49 -15.227 2.092 1.622 1.00 32.54 O ATOM 0 H SER A 49 -16.656 -1.582 1.492 1.00 73.00 H new ATOM 0 HA SER A 49 -14.696 -0.072 2.994 1.00 24.41 H new ATOM 0 HB2 SER A 49 -15.255 0.320 0.575 1.00 62.22 H new ATOM 0 HB3 SER A 49 -16.826 0.920 1.069 1.00 62.22 H new ATOM 0 HG SER A 49 -15.279 2.626 0.802 1.00 32.54 H new ATOM 855 N GLN A 50 -16.229 0.054 5.033 1.00 41.13 N ATOM 856 CA GLN A 50 -16.916 0.399 6.279 1.00 12.51 C ATOM 857 C GLN A 50 -15.854 0.720 7.351 1.00 40.32 C ATOM 858 O GLN A 50 -15.485 -0.128 8.177 1.00 15.43 O ATOM 859 CB GLN A 50 -17.882 -0.752 6.711 1.00 10.24 C ATOM 860 CG GLN A 50 -17.266 -2.172 6.734 1.00 32.41 C ATOM 861 CD GLN A 50 -18.208 -3.242 7.286 1.00 45.43 C ATOM 862 OE1 GLN A 50 -18.983 -3.855 6.552 1.00 71.21 O ATOM 863 NE2 GLN A 50 -18.168 -3.464 8.585 1.00 4.13 N ATOM 0 H GLN A 50 -15.416 -0.544 5.180 1.00 41.13 H new ATOM 0 HA GLN A 50 -17.540 1.282 6.140 1.00 12.51 H new ATOM 0 HB2 GLN A 50 -18.265 -0.526 7.706 1.00 10.24 H new ATOM 0 HB3 GLN A 50 -18.737 -0.757 6.034 1.00 10.24 H new ATOM 0 HG2 GLN A 50 -16.972 -2.447 5.721 1.00 32.41 H new ATOM 0 HG3 GLN A 50 -16.358 -2.155 7.336 1.00 32.41 H new ATOM 0 HE21 GLN A 50 -17.517 -2.943 9.172 1.00 4.13 H new ATOM 0 HE22 GLN A 50 -18.788 -4.157 9.003 1.00 4.13 H new ATOM 872 N ASN A 51 -15.351 1.967 7.285 1.00 54.34 N ATOM 873 CA ASN A 51 -14.168 2.424 8.038 1.00 55.54 C ATOM 874 C ASN A 51 -12.948 1.561 7.655 1.00 52.30 C ATOM 875 O ASN A 51 -12.486 0.716 8.433 1.00 44.21 O ATOM 876 CB ASN A 51 -14.406 2.462 9.587 1.00 22.04 C ATOM 877 CG ASN A 51 -15.460 3.487 10.010 1.00 43.45 C ATOM 878 OD1 ASN A 51 -15.147 4.661 10.235 1.00 14.32 O ATOM 879 ND2 ASN A 51 -16.708 3.058 10.135 1.00 62.41 N ATOM 0 H ASN A 51 -15.760 2.695 6.699 1.00 54.34 H new ATOM 0 HA ASN A 51 -13.968 3.458 7.757 1.00 55.54 H new ATOM 0 HB2 ASN A 51 -14.714 1.473 9.925 1.00 22.04 H new ATOM 0 HB3 ASN A 51 -13.465 2.691 10.087 1.00 22.04 H new ATOM 0 HD21 ASN A 51 -17.443 3.704 10.424 1.00 62.41 H new ATOM 0 HD22 ASN A 51 -16.934 2.082 9.942 1.00 62.41 H new ATOM 886 N ILE A 52 -12.489 1.753 6.405 1.00 35.35 N ATOM 887 CA ILE A 52 -11.329 1.039 5.833 1.00 61.53 C ATOM 888 C ILE A 52 -10.305 2.060 5.299 1.00 71.33 C ATOM 889 O ILE A 52 -10.683 3.068 4.679 1.00 33.31 O ATOM 890 CB ILE A 52 -11.779 0.015 4.709 1.00 53.31 C ATOM 891 CG1 ILE A 52 -10.615 -0.941 4.309 1.00 71.34 C ATOM 892 CG2 ILE A 52 -12.341 0.726 3.458 1.00 74.21 C ATOM 893 CD1 ILE A 52 -11.038 -2.106 3.426 1.00 11.33 C ATOM 0 H ILE A 52 -12.916 2.414 5.756 1.00 35.35 H new ATOM 0 HA ILE A 52 -10.853 0.451 6.618 1.00 61.53 H new ATOM 0 HB ILE A 52 -12.584 -0.580 5.141 1.00 53.31 H new ATOM 0 HG12 ILE A 52 -9.850 -0.365 3.789 1.00 71.34 H new ATOM 0 HG13 ILE A 52 -10.156 -1.335 5.216 1.00 71.34 H new ATOM 0 HG21 ILE A 52 -12.635 -0.018 2.718 1.00 74.21 H new ATOM 0 HG22 ILE A 52 -13.209 1.322 3.738 1.00 74.21 H new ATOM 0 HG23 ILE A 52 -11.576 1.376 3.034 1.00 74.21 H new ATOM 0 HD11 ILE A 52 -10.169 -2.721 3.194 1.00 11.33 H new ATOM 0 HD12 ILE A 52 -11.780 -2.709 3.950 1.00 11.33 H new ATOM 0 HD13 ILE A 52 -11.469 -1.724 2.501 1.00 11.33 H new ATOM 905 N LYS A 53 -9.010 1.819 5.582 1.00 71.51 N ATOM 906 CA LYS A 53 -7.908 2.722 5.219 1.00 4.34 C ATOM 907 C LYS A 53 -6.746 1.891 4.690 1.00 1.23 C ATOM 908 O LYS A 53 -6.328 0.920 5.321 1.00 12.34 O ATOM 909 CB LYS A 53 -7.476 3.604 6.423 1.00 44.31 C ATOM 910 CG LYS A 53 -8.556 4.621 6.846 1.00 25.25 C ATOM 911 CD LYS A 53 -8.211 5.436 8.113 1.00 25.10 C ATOM 912 CE LYS A 53 -9.431 6.223 8.612 1.00 24.30 C ATOM 913 NZ LYS A 53 -9.154 7.010 9.836 1.00 75.55 N ATOM 0 H LYS A 53 -8.700 0.982 6.075 1.00 71.51 H new ATOM 0 HA LYS A 53 -8.244 3.406 4.440 1.00 4.34 H new ATOM 0 HB2 LYS A 53 -7.239 2.961 7.271 1.00 44.31 H new ATOM 0 HB3 LYS A 53 -6.563 4.139 6.164 1.00 44.31 H new ATOM 0 HG2 LYS A 53 -8.728 5.312 6.021 1.00 25.25 H new ATOM 0 HG3 LYS A 53 -9.491 4.088 7.016 1.00 25.25 H new ATOM 0 HD2 LYS A 53 -7.862 4.765 8.897 1.00 25.10 H new ATOM 0 HD3 LYS A 53 -7.394 6.124 7.895 1.00 25.10 H new ATOM 0 HE2 LYS A 53 -9.769 6.895 7.824 1.00 24.30 H new ATOM 0 HE3 LYS A 53 -10.247 5.529 8.811 1.00 24.30 H new ATOM 0 HZ1 LYS A 53 -10.014 7.519 10.124 1.00 75.55 H new ATOM 0 HZ2 LYS A 53 -8.858 6.370 10.601 1.00 75.55 H new ATOM 0 HZ3 LYS A 53 -8.395 7.695 9.644 1.00 75.55 H new ATOM 927 N VAL A 54 -6.259 2.280 3.505 1.00 55.10 N ATOM 928 CA VAL A 54 -5.240 1.535 2.746 1.00 22.15 C ATOM 929 C VAL A 54 -3.965 2.381 2.599 1.00 35.20 C ATOM 930 O VAL A 54 -4.047 3.554 2.277 1.00 2.11 O ATOM 931 CB VAL A 54 -5.795 1.154 1.326 1.00 71.20 C ATOM 932 CG1 VAL A 54 -4.811 0.253 0.554 1.00 2.00 C ATOM 933 CG2 VAL A 54 -7.199 0.507 1.437 1.00 55.20 C ATOM 0 H VAL A 54 -6.565 3.133 3.037 1.00 55.10 H new ATOM 0 HA VAL A 54 -4.998 0.622 3.289 1.00 22.15 H new ATOM 0 HB VAL A 54 -5.899 2.074 0.751 1.00 71.20 H new ATOM 0 HG11 VAL A 54 -5.229 0.011 -0.423 1.00 2.00 H new ATOM 0 HG12 VAL A 54 -3.864 0.777 0.423 1.00 2.00 H new ATOM 0 HG13 VAL A 54 -4.643 -0.666 1.115 1.00 2.00 H new ATOM 0 HG21 VAL A 54 -7.562 0.252 0.441 1.00 55.20 H new ATOM 0 HG22 VAL A 54 -7.136 -0.397 2.043 1.00 55.20 H new ATOM 0 HG23 VAL A 54 -7.888 1.210 1.905 1.00 55.20 H new ATOM 943 N LEU A 55 -2.800 1.768 2.828 1.00 41.41 N ATOM 944 CA LEU A 55 -1.488 2.422 2.713 1.00 71.04 C ATOM 945 C LEU A 55 -0.762 1.862 1.484 1.00 22.31 C ATOM 946 O LEU A 55 -0.291 0.724 1.511 1.00 71.34 O ATOM 947 CB LEU A 55 -0.661 2.162 3.995 1.00 31.40 C ATOM 948 CG LEU A 55 0.780 2.772 4.025 1.00 34.45 C ATOM 949 CD1 LEU A 55 0.769 4.312 4.106 1.00 44.52 C ATOM 950 CD2 LEU A 55 1.612 2.146 5.153 1.00 25.53 C ATOM 0 H LEU A 55 -2.738 0.788 3.103 1.00 41.41 H new ATOM 0 HA LEU A 55 -1.615 3.498 2.597 1.00 71.04 H new ATOM 0 HB2 LEU A 55 -1.217 2.555 4.846 1.00 31.40 H new ATOM 0 HB3 LEU A 55 -0.580 1.084 4.137 1.00 31.40 H new ATOM 0 HG LEU A 55 1.256 2.524 3.077 1.00 34.45 H new ATOM 0 HD11 LEU A 55 1.794 4.683 4.124 1.00 44.52 H new ATOM 0 HD12 LEU A 55 0.251 4.718 3.237 1.00 44.52 H new ATOM 0 HD13 LEU A 55 0.254 4.625 5.014 1.00 44.52 H new ATOM 0 HD21 LEU A 55 2.610 2.585 5.155 1.00 25.53 H new ATOM 0 HD22 LEU A 55 1.129 2.338 6.111 1.00 25.53 H new ATOM 0 HD23 LEU A 55 1.689 1.070 4.995 1.00 25.53 H new ATOM 962 N ILE A 56 -0.687 2.645 0.398 1.00 30.13 N ATOM 963 CA ILE A 56 -0.080 2.186 -0.864 1.00 12.33 C ATOM 964 C ILE A 56 1.349 2.750 -0.982 1.00 51.34 C ATOM 965 O ILE A 56 1.528 3.952 -1.206 1.00 20.04 O ATOM 966 CB ILE A 56 -0.947 2.589 -2.124 1.00 64.05 C ATOM 967 CG1 ILE A 56 -2.409 2.053 -1.974 1.00 33.44 C ATOM 968 CG2 ILE A 56 -0.297 2.067 -3.431 1.00 40.32 C ATOM 969 CD1 ILE A 56 -3.351 2.408 -3.114 1.00 73.12 C ATOM 0 H ILE A 56 -1.040 3.602 0.367 1.00 30.13 H new ATOM 0 HA ILE A 56 -0.042 1.097 -0.844 1.00 12.33 H new ATOM 0 HB ILE A 56 -0.985 3.677 -2.182 1.00 64.05 H new ATOM 0 HG12 ILE A 56 -2.373 0.968 -1.879 1.00 33.44 H new ATOM 0 HG13 ILE A 56 -2.827 2.440 -1.045 1.00 33.44 H new ATOM 0 HG21 ILE A 56 -0.911 2.356 -4.284 1.00 40.32 H new ATOM 0 HG22 ILE A 56 0.699 2.497 -3.539 1.00 40.32 H new ATOM 0 HG23 ILE A 56 -0.221 0.980 -3.391 1.00 40.32 H new ATOM 0 HD11 ILE A 56 -4.338 1.990 -2.914 1.00 73.12 H new ATOM 0 HD12 ILE A 56 -3.426 3.492 -3.200 1.00 73.12 H new ATOM 0 HD13 ILE A 56 -2.965 1.996 -4.047 1.00 73.12 H new ATOM 981 N LEU A 57 2.367 1.873 -0.819 1.00 0.22 N ATOM 982 CA LEU A 57 3.780 2.248 -0.980 1.00 12.44 C ATOM 983 C LEU A 57 4.145 1.955 -2.430 1.00 62.52 C ATOM 984 O LEU A 57 4.192 0.790 -2.835 1.00 62.51 O ATOM 985 CB LEU A 57 4.734 1.450 -0.035 1.00 41.31 C ATOM 986 CG LEU A 57 4.572 1.665 1.506 1.00 41.22 C ATOM 987 CD1 LEU A 57 4.547 3.162 1.872 1.00 43.02 C ATOM 988 CD2 LEU A 57 3.349 0.914 2.062 1.00 71.32 C ATOM 0 H LEU A 57 2.227 0.893 -0.574 1.00 0.22 H new ATOM 0 HA LEU A 57 3.901 3.299 -0.720 1.00 12.44 H new ATOM 0 HB2 LEU A 57 4.601 0.388 -0.242 1.00 41.31 H new ATOM 0 HB3 LEU A 57 5.760 1.701 -0.303 1.00 41.31 H new ATOM 0 HG LEU A 57 5.451 1.235 1.986 1.00 41.22 H new ATOM 0 HD11 LEU A 57 4.433 3.271 2.951 1.00 43.02 H new ATOM 0 HD12 LEU A 57 5.480 3.629 1.556 1.00 43.02 H new ATOM 0 HD13 LEU A 57 3.710 3.646 1.368 1.00 43.02 H new ATOM 0 HD21 LEU A 57 3.272 1.089 3.135 1.00 71.32 H new ATOM 0 HD22 LEU A 57 2.446 1.274 1.570 1.00 71.32 H new ATOM 0 HD23 LEU A 57 3.462 -0.154 1.876 1.00 71.32 H new ATOM 1000 N VAL A 58 4.396 3.006 -3.200 1.00 30.11 N ATOM 1001 CA VAL A 58 4.651 2.897 -4.641 1.00 4.21 C ATOM 1002 C VAL A 58 6.146 3.003 -4.932 1.00 44.11 C ATOM 1003 O VAL A 58 6.929 3.419 -4.063 1.00 13.12 O ATOM 1004 CB VAL A 58 3.876 4.001 -5.430 1.00 25.32 C ATOM 1005 CG1 VAL A 58 2.361 3.912 -5.166 1.00 4.32 C ATOM 1006 CG2 VAL A 58 4.411 5.404 -5.103 1.00 33.31 C ATOM 0 H VAL A 58 4.430 3.963 -2.847 1.00 30.11 H new ATOM 0 HA VAL A 58 4.296 1.921 -4.970 1.00 4.21 H new ATOM 0 HB VAL A 58 4.043 3.823 -6.492 1.00 25.32 H new ATOM 0 HG11 VAL A 58 1.847 4.692 -5.728 1.00 4.32 H new ATOM 0 HG12 VAL A 58 1.993 2.936 -5.482 1.00 4.32 H new ATOM 0 HG13 VAL A 58 2.169 4.045 -4.101 1.00 4.32 H new ATOM 0 HG21 VAL A 58 3.850 6.148 -5.668 1.00 33.31 H new ATOM 0 HG22 VAL A 58 4.297 5.597 -4.036 1.00 33.31 H new ATOM 0 HG23 VAL A 58 5.466 5.463 -5.372 1.00 33.31 H new ATOM 1016 N SER A 59 6.527 2.631 -6.161 1.00 45.11 N ATOM 1017 CA SER A 59 7.916 2.685 -6.612 1.00 41.25 C ATOM 1018 C SER A 59 8.320 4.135 -6.966 1.00 34.40 C ATOM 1019 O SER A 59 9.254 4.696 -6.370 1.00 62.24 O ATOM 1020 CB SER A 59 8.119 1.724 -7.814 1.00 42.03 C ATOM 1021 OG SER A 59 9.488 1.611 -8.185 1.00 52.30 O ATOM 0 H SER A 59 5.878 2.285 -6.868 1.00 45.11 H new ATOM 0 HA SER A 59 8.567 2.357 -5.802 1.00 41.25 H new ATOM 0 HB2 SER A 59 7.731 0.738 -7.559 1.00 42.03 H new ATOM 0 HB3 SER A 59 7.542 2.083 -8.666 1.00 42.03 H new ATOM 0 HG SER A 59 9.572 0.996 -8.944 1.00 52.30 H new ATOM 1027 N ASN A 60 7.594 4.757 -7.915 1.00 31.02 N ATOM 1028 CA ASN A 60 7.948 6.103 -8.448 1.00 62.45 C ATOM 1029 C ASN A 60 6.730 7.038 -8.476 1.00 4.42 C ATOM 1030 O ASN A 60 5.633 6.666 -8.060 1.00 45.14 O ATOM 1031 CB ASN A 60 8.547 5.985 -9.876 1.00 25.03 C ATOM 1032 CG ASN A 60 9.750 5.053 -9.978 1.00 11.23 C ATOM 1033 OD1 ASN A 60 10.905 5.475 -9.868 1.00 22.24 O ATOM 1034 ND2 ASN A 60 9.476 3.767 -10.161 1.00 3.14 N ATOM 0 H ASN A 60 6.756 4.354 -8.334 1.00 31.02 H new ATOM 0 HA ASN A 60 8.693 6.531 -7.778 1.00 62.45 H new ATOM 0 HB2 ASN A 60 7.771 5.632 -10.555 1.00 25.03 H new ATOM 0 HB3 ASN A 60 8.841 6.978 -10.217 1.00 25.03 H new ATOM 0 HD21 ASN A 60 10.234 3.087 -10.215 1.00 3.14 H new ATOM 0 HD22 ASN A 60 8.507 3.459 -10.247 1.00 3.14 H new ATOM 1041 N ASP A 61 6.976 8.262 -8.993 1.00 42.12 N ATOM 1042 CA ASP A 61 5.994 9.369 -9.058 1.00 13.12 C ATOM 1043 C ASP A 61 4.739 9.030 -9.886 1.00 15.11 C ATOM 1044 O ASP A 61 3.643 9.492 -9.556 1.00 31.44 O ATOM 1045 CB ASP A 61 6.660 10.643 -9.648 1.00 2.52 C ATOM 1046 CG ASP A 61 7.952 11.024 -8.917 1.00 51.53 C ATOM 1047 OD1 ASP A 61 9.024 10.514 -9.295 1.00 74.31 O ATOM 1048 OD2 ASP A 61 7.902 11.803 -7.941 1.00 23.13 O ATOM 0 H ASP A 61 7.883 8.514 -9.386 1.00 42.12 H new ATOM 0 HA ASP A 61 5.668 9.542 -8.032 1.00 13.12 H new ATOM 0 HB2 ASP A 61 6.879 10.479 -10.703 1.00 2.52 H new ATOM 0 HB3 ASP A 61 5.957 11.474 -9.594 1.00 2.52 H new ATOM 1053 N GLU A 62 4.906 8.245 -10.980 1.00 61.24 N ATOM 1054 CA GLU A 62 3.773 7.873 -11.851 1.00 1.31 C ATOM 1055 C GLU A 62 2.834 6.917 -11.103 1.00 4.41 C ATOM 1056 O GLU A 62 1.613 7.111 -11.111 1.00 13.20 O ATOM 1057 CB GLU A 62 4.231 7.246 -13.202 1.00 32.22 C ATOM 1058 CG GLU A 62 3.055 6.936 -14.163 1.00 72.41 C ATOM 1059 CD GLU A 62 3.466 6.430 -15.553 1.00 51.52 C ATOM 1060 OE1 GLU A 62 3.764 7.256 -16.436 1.00 71.44 O ATOM 1061 OE2 GLU A 62 3.471 5.203 -15.781 1.00 2.23 O ATOM 0 H GLU A 62 5.805 7.863 -11.274 1.00 61.24 H new ATOM 0 HA GLU A 62 3.240 8.791 -12.100 1.00 1.31 H new ATOM 0 HB2 GLU A 62 4.924 7.928 -13.695 1.00 32.22 H new ATOM 0 HB3 GLU A 62 4.779 6.326 -13.000 1.00 32.22 H new ATOM 0 HG2 GLU A 62 2.412 6.189 -13.697 1.00 72.41 H new ATOM 0 HG3 GLU A 62 2.457 7.839 -14.284 1.00 72.41 H new ATOM 1068 N GLU A 63 3.430 5.918 -10.421 1.00 31.05 N ATOM 1069 CA GLU A 63 2.682 4.931 -9.628 1.00 64.31 C ATOM 1070 C GLU A 63 1.957 5.622 -8.454 1.00 33.41 C ATOM 1071 O GLU A 63 0.854 5.219 -8.090 1.00 21.01 O ATOM 1072 CB GLU A 63 3.606 3.798 -9.088 1.00 53.01 C ATOM 1073 CG GLU A 63 4.282 2.887 -10.148 1.00 2.24 C ATOM 1074 CD GLU A 63 5.427 3.548 -10.930 1.00 20.23 C ATOM 1075 OE1 GLU A 63 5.188 4.145 -11.999 1.00 22.10 O ATOM 1076 OE2 GLU A 63 6.570 3.443 -10.494 1.00 22.35 O ATOM 0 H GLU A 63 4.440 5.776 -10.407 1.00 31.05 H new ATOM 0 HA GLU A 63 1.946 4.474 -10.290 1.00 64.31 H new ATOM 0 HB2 GLU A 63 4.389 4.256 -8.484 1.00 53.01 H new ATOM 0 HB3 GLU A 63 3.017 3.167 -8.422 1.00 53.01 H new ATOM 0 HG2 GLU A 63 4.667 1.998 -9.649 1.00 2.24 H new ATOM 0 HG3 GLU A 63 3.523 2.552 -10.856 1.00 2.24 H new ATOM 1083 N LEU A 64 2.610 6.660 -7.876 1.00 11.14 N ATOM 1084 CA LEU A 64 2.034 7.509 -6.812 1.00 30.35 C ATOM 1085 C LEU A 64 0.716 8.138 -7.272 1.00 71.21 C ATOM 1086 O LEU A 64 -0.353 7.839 -6.721 1.00 4.14 O ATOM 1087 CB LEU A 64 3.044 8.628 -6.418 1.00 21.42 C ATOM 1088 CG LEU A 64 2.576 9.625 -5.305 1.00 0.41 C ATOM 1089 CD1 LEU A 64 2.497 8.936 -3.934 1.00 41.10 C ATOM 1090 CD2 LEU A 64 3.470 10.880 -5.262 1.00 72.30 C ATOM 0 H LEU A 64 3.558 6.931 -8.139 1.00 11.14 H new ATOM 0 HA LEU A 64 1.834 6.881 -5.944 1.00 30.35 H new ATOM 0 HB2 LEU A 64 3.968 8.154 -6.086 1.00 21.42 H new ATOM 0 HB3 LEU A 64 3.284 9.202 -7.313 1.00 21.42 H new ATOM 0 HG LEU A 64 1.569 9.955 -5.560 1.00 0.41 H new ATOM 0 HD11 LEU A 64 2.169 9.655 -3.184 1.00 41.10 H new ATOM 0 HD12 LEU A 64 1.785 8.112 -3.982 1.00 41.10 H new ATOM 0 HD13 LEU A 64 3.480 8.551 -3.663 1.00 41.10 H new ATOM 0 HD21 LEU A 64 3.118 11.551 -4.479 1.00 72.30 H new ATOM 0 HD22 LEU A 64 4.499 10.587 -5.053 1.00 72.30 H new ATOM 0 HD23 LEU A 64 3.427 11.391 -6.224 1.00 72.30 H new ATOM 1102 N ASP A 65 0.820 8.967 -8.333 1.00 13.02 N ATOM 1103 CA ASP A 65 -0.297 9.764 -8.858 1.00 63.10 C ATOM 1104 C ASP A 65 -1.439 8.862 -9.345 1.00 3.55 C ATOM 1105 O ASP A 65 -2.606 9.142 -9.070 1.00 4.20 O ATOM 1106 CB ASP A 65 0.188 10.694 -10.001 1.00 65.34 C ATOM 1107 CG ASP A 65 -0.900 11.694 -10.453 1.00 3.12 C ATOM 1108 OD1 ASP A 65 -1.094 12.714 -9.762 1.00 74.51 O ATOM 1109 OD2 ASP A 65 -1.567 11.463 -11.483 1.00 4.32 O ATOM 0 H ASP A 65 1.690 9.099 -8.849 1.00 13.02 H new ATOM 0 HA ASP A 65 -0.680 10.382 -8.046 1.00 63.10 H new ATOM 0 HB2 ASP A 65 1.067 11.245 -9.668 1.00 65.34 H new ATOM 0 HB3 ASP A 65 0.496 10.087 -10.853 1.00 65.34 H new ATOM 1114 N LYS A 66 -1.066 7.743 -10.005 1.00 52.34 N ATOM 1115 CA LYS A 66 -2.021 6.801 -10.609 1.00 53.33 C ATOM 1116 C LYS A 66 -2.803 6.040 -9.526 1.00 73.21 C ATOM 1117 O LYS A 66 -4.028 5.937 -9.616 1.00 3.23 O ATOM 1118 CB LYS A 66 -1.297 5.808 -11.567 1.00 72.21 C ATOM 1119 CG LYS A 66 -2.238 4.903 -12.400 1.00 63.45 C ATOM 1120 CD LYS A 66 -3.261 5.720 -13.226 1.00 4.14 C ATOM 1121 CE LYS A 66 -4.098 4.852 -14.172 1.00 0.32 C ATOM 1122 NZ LYS A 66 -3.289 4.301 -15.292 1.00 40.20 N ATOM 0 H LYS A 66 -0.091 7.472 -10.131 1.00 52.34 H new ATOM 0 HA LYS A 66 -2.733 7.380 -11.197 1.00 53.33 H new ATOM 0 HB2 LYS A 66 -0.667 6.378 -12.250 1.00 72.21 H new ATOM 0 HB3 LYS A 66 -0.635 5.174 -10.977 1.00 72.21 H new ATOM 0 HG2 LYS A 66 -1.643 4.285 -13.072 1.00 63.45 H new ATOM 0 HG3 LYS A 66 -2.771 4.226 -11.733 1.00 63.45 H new ATOM 0 HD2 LYS A 66 -3.926 6.252 -12.546 1.00 4.14 H new ATOM 0 HD3 LYS A 66 -2.730 6.474 -13.808 1.00 4.14 H new ATOM 0 HE2 LYS A 66 -4.544 4.031 -13.610 1.00 0.32 H new ATOM 0 HE3 LYS A 66 -4.919 5.445 -14.576 1.00 0.32 H new ATOM 0 HZ1 LYS A 66 -3.751 3.448 -15.667 1.00 40.20 H new ATOM 0 HZ2 LYS A 66 -3.211 5.012 -16.047 1.00 40.20 H new ATOM 0 HZ3 LYS A 66 -2.339 4.057 -14.947 1.00 40.20 H new ATOM 1136 N ALA A 67 -2.099 5.538 -8.492 1.00 71.44 N ATOM 1137 CA ALA A 67 -2.735 4.794 -7.386 1.00 72.31 C ATOM 1138 C ALA A 67 -3.705 5.692 -6.599 1.00 15.04 C ATOM 1139 O ALA A 67 -4.726 5.211 -6.094 1.00 33.14 O ATOM 1140 CB ALA A 67 -1.682 4.184 -6.457 1.00 51.32 C ATOM 0 H ALA A 67 -1.088 5.635 -8.400 1.00 71.44 H new ATOM 0 HA ALA A 67 -3.312 3.979 -7.823 1.00 72.31 H new ATOM 0 HB1 ALA A 67 -2.178 3.642 -5.652 1.00 51.32 H new ATOM 0 HB2 ALA A 67 -1.052 3.497 -7.022 1.00 51.32 H new ATOM 0 HB3 ALA A 67 -1.066 4.978 -6.035 1.00 51.32 H new ATOM 1146 N LYS A 68 -3.375 7.000 -6.519 1.00 55.34 N ATOM 1147 CA LYS A 68 -4.265 8.013 -5.931 1.00 23.43 C ATOM 1148 C LYS A 68 -5.506 8.246 -6.818 1.00 51.42 C ATOM 1149 O LYS A 68 -6.609 8.352 -6.294 1.00 12.25 O ATOM 1150 CB LYS A 68 -3.512 9.351 -5.696 1.00 61.13 C ATOM 1151 CG LYS A 68 -2.358 9.261 -4.666 1.00 72.11 C ATOM 1152 CD LYS A 68 -1.726 10.641 -4.345 1.00 42.23 C ATOM 1153 CE LYS A 68 -1.142 11.349 -5.581 1.00 72.30 C ATOM 1154 NZ LYS A 68 -0.792 12.767 -5.289 1.00 71.10 N ATOM 0 H LYS A 68 -2.490 7.376 -6.859 1.00 55.34 H new ATOM 0 HA LYS A 68 -4.600 7.633 -4.966 1.00 23.43 H new ATOM 0 HB2 LYS A 68 -3.108 9.699 -6.647 1.00 61.13 H new ATOM 0 HB3 LYS A 68 -4.226 10.102 -5.359 1.00 61.13 H new ATOM 0 HG2 LYS A 68 -2.734 8.816 -3.745 1.00 72.11 H new ATOM 0 HG3 LYS A 68 -1.586 8.594 -5.050 1.00 72.11 H new ATOM 0 HD2 LYS A 68 -2.482 11.282 -3.892 1.00 42.23 H new ATOM 0 HD3 LYS A 68 -0.937 10.507 -3.605 1.00 42.23 H new ATOM 0 HE2 LYS A 68 -0.253 10.817 -5.919 1.00 72.30 H new ATOM 0 HE3 LYS A 68 -1.864 11.313 -6.396 1.00 72.30 H new ATOM 0 HZ1 LYS A 68 -0.402 13.211 -6.144 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -1.645 13.281 -4.990 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -0.084 12.800 -4.528 1.00 71.10 H new ATOM 1168 N GLU A 69 -5.318 8.312 -8.160 1.00 14.24 N ATOM 1169 CA GLU A 69 -6.443 8.484 -9.123 1.00 5.10 C ATOM 1170 C GLU A 69 -7.484 7.357 -8.954 1.00 41.44 C ATOM 1171 O GLU A 69 -8.696 7.616 -8.853 1.00 53.51 O ATOM 1172 CB GLU A 69 -5.923 8.504 -10.585 1.00 53.52 C ATOM 1173 CG GLU A 69 -5.084 9.741 -10.959 1.00 34.11 C ATOM 1174 CD GLU A 69 -5.863 11.067 -10.891 1.00 70.45 C ATOM 1175 OE1 GLU A 69 -6.604 11.386 -11.847 1.00 14.12 O ATOM 1176 OE2 GLU A 69 -5.735 11.803 -9.891 1.00 42.12 O ATOM 0 H GLU A 69 -4.401 8.249 -8.602 1.00 14.24 H new ATOM 0 HA GLU A 69 -6.920 9.440 -8.909 1.00 5.10 H new ATOM 0 HB2 GLU A 69 -5.321 7.611 -10.753 1.00 53.52 H new ATOM 0 HB3 GLU A 69 -6.777 8.445 -11.260 1.00 53.52 H new ATOM 0 HG2 GLU A 69 -4.225 9.801 -10.291 1.00 34.11 H new ATOM 0 HG3 GLU A 69 -4.694 9.612 -11.969 1.00 34.11 H new ATOM 1183 N LEU A 70 -6.967 6.117 -8.876 1.00 62.15 N ATOM 1184 CA LEU A 70 -7.766 4.904 -8.693 1.00 3.41 C ATOM 1185 C LEU A 70 -8.522 4.966 -7.348 1.00 45.33 C ATOM 1186 O LEU A 70 -9.734 4.757 -7.305 1.00 32.22 O ATOM 1187 CB LEU A 70 -6.836 3.654 -8.768 1.00 44.13 C ATOM 1188 CG LEU A 70 -5.992 3.509 -10.083 1.00 11.41 C ATOM 1189 CD1 LEU A 70 -4.985 2.338 -9.992 1.00 62.11 C ATOM 1190 CD2 LEU A 70 -6.903 3.379 -11.319 1.00 70.11 C ATOM 0 H LEU A 70 -5.966 5.933 -8.940 1.00 62.15 H new ATOM 0 HA LEU A 70 -8.508 4.827 -9.487 1.00 3.41 H new ATOM 0 HB2 LEU A 70 -6.151 3.683 -7.920 1.00 44.13 H new ATOM 0 HB3 LEU A 70 -7.450 2.761 -8.652 1.00 44.13 H new ATOM 0 HG LEU A 70 -5.409 4.423 -10.199 1.00 11.41 H new ATOM 0 HD11 LEU A 70 -4.420 2.271 -10.922 1.00 62.11 H new ATOM 0 HD12 LEU A 70 -4.299 2.511 -9.163 1.00 62.11 H new ATOM 0 HD13 LEU A 70 -5.525 1.406 -9.827 1.00 62.11 H new ATOM 0 HD21 LEU A 70 -6.289 3.280 -12.214 1.00 70.11 H new ATOM 0 HD22 LEU A 70 -7.536 2.498 -11.214 1.00 70.11 H new ATOM 0 HD23 LEU A 70 -7.529 4.267 -11.404 1.00 70.11 H new ATOM 1202 N ALA A 71 -7.784 5.323 -6.274 1.00 51.31 N ATOM 1203 CA ALA A 71 -8.316 5.462 -4.897 1.00 70.03 C ATOM 1204 C ALA A 71 -9.479 6.472 -4.796 1.00 73.13 C ATOM 1205 O ALA A 71 -10.461 6.227 -4.076 1.00 5.50 O ATOM 1206 CB ALA A 71 -7.178 5.881 -3.963 1.00 20.41 C ATOM 0 H ALA A 71 -6.787 5.526 -6.339 1.00 51.31 H new ATOM 0 HA ALA A 71 -8.721 4.494 -4.603 1.00 70.03 H new ATOM 0 HB1 ALA A 71 -7.560 5.986 -2.948 1.00 20.41 H new ATOM 0 HB2 ALA A 71 -6.396 5.122 -3.980 1.00 20.41 H new ATOM 0 HB3 ALA A 71 -6.766 6.834 -4.296 1.00 20.41 H new ATOM 1212 N GLN A 72 -9.341 7.600 -5.516 1.00 1.34 N ATOM 1213 CA GLN A 72 -10.355 8.667 -5.562 1.00 0.45 C ATOM 1214 C GLN A 72 -11.639 8.165 -6.242 1.00 51.32 C ATOM 1215 O GLN A 72 -12.741 8.360 -5.720 1.00 13.15 O ATOM 1216 CB GLN A 72 -9.786 9.918 -6.293 1.00 73.11 C ATOM 1217 CG GLN A 72 -8.621 10.612 -5.560 1.00 35.20 C ATOM 1218 CD GLN A 72 -7.974 11.746 -6.367 1.00 13.45 C ATOM 1219 OE1 GLN A 72 -6.992 11.410 -7.189 1.00 22.10 O flip ATOM 1220 NE2 GLN A 72 -8.374 12.907 -6.275 1.00 23.33 N flip ATOM 0 H GLN A 72 -8.518 7.797 -6.085 1.00 1.34 H new ATOM 0 HA GLN A 72 -10.609 8.954 -4.541 1.00 0.45 H new ATOM 0 HB2 GLN A 72 -9.448 9.621 -7.286 1.00 73.11 H new ATOM 0 HB3 GLN A 72 -10.591 10.639 -6.433 1.00 73.11 H new ATOM 0 HG2 GLN A 72 -8.986 11.013 -4.614 1.00 35.20 H new ATOM 0 HG3 GLN A 72 -7.860 9.869 -5.319 1.00 35.20 H new ATOM 0 HE21 GLN A 72 -9.133 13.136 -5.633 1.00 23.33 H new ATOM 0 HE22 GLN A 72 -7.947 13.640 -6.841 1.00 23.33 H new ATOM 1229 N LYS A 73 -11.478 7.451 -7.373 1.00 13.12 N ATOM 1230 CA LYS A 73 -12.623 6.929 -8.149 1.00 2.25 C ATOM 1231 C LYS A 73 -13.285 5.726 -7.442 1.00 3.34 C ATOM 1232 O LYS A 73 -14.450 5.410 -7.704 1.00 75.25 O ATOM 1233 CB LYS A 73 -12.183 6.541 -9.580 1.00 34.33 C ATOM 1234 CG LYS A 73 -11.553 7.689 -10.400 1.00 62.24 C ATOM 1235 CD LYS A 73 -12.480 8.913 -10.594 1.00 20.33 C ATOM 1236 CE LYS A 73 -13.755 8.591 -11.395 1.00 5.33 C ATOM 1237 NZ LYS A 73 -14.603 9.798 -11.588 1.00 10.15 N ATOM 0 H LYS A 73 -10.567 7.222 -7.771 1.00 13.12 H new ATOM 0 HA LYS A 73 -13.365 7.725 -8.217 1.00 2.25 H new ATOM 0 HB2 LYS A 73 -11.465 5.724 -9.515 1.00 34.33 H new ATOM 0 HB3 LYS A 73 -13.050 6.161 -10.121 1.00 34.33 H new ATOM 0 HG2 LYS A 73 -10.638 8.015 -9.905 1.00 62.24 H new ATOM 0 HG3 LYS A 73 -11.266 7.306 -11.379 1.00 62.24 H new ATOM 0 HD2 LYS A 73 -12.762 9.304 -9.617 1.00 20.33 H new ATOM 0 HD3 LYS A 73 -11.927 9.701 -11.105 1.00 20.33 H new ATOM 0 HE2 LYS A 73 -13.480 8.180 -12.366 1.00 5.33 H new ATOM 0 HE3 LYS A 73 -14.328 7.823 -10.875 1.00 5.33 H new ATOM 0 HZ1 LYS A 73 -15.452 9.542 -12.131 1.00 10.15 H new ATOM 0 HZ2 LYS A 73 -14.886 10.176 -10.661 1.00 10.15 H new ATOM 0 HZ3 LYS A 73 -14.065 10.521 -12.107 1.00 10.15 H new ATOM 1251 N MET A 74 -12.526 5.056 -6.552 1.00 61.15 N ATOM 1252 CA MET A 74 -13.038 3.958 -5.700 1.00 63.13 C ATOM 1253 C MET A 74 -13.691 4.505 -4.415 1.00 65.44 C ATOM 1254 O MET A 74 -14.392 3.759 -3.719 1.00 64.21 O ATOM 1255 CB MET A 74 -11.887 2.986 -5.326 1.00 64.31 C ATOM 1256 CG MET A 74 -11.339 2.144 -6.479 1.00 62.43 C ATOM 1257 SD MET A 74 -12.475 0.853 -7.034 1.00 52.40 S ATOM 1258 CE MET A 74 -11.431 -0.082 -8.158 1.00 34.14 C ATOM 0 H MET A 74 -11.538 5.260 -6.402 1.00 61.15 H new ATOM 0 HA MET A 74 -13.796 3.421 -6.270 1.00 63.13 H new ATOM 0 HB2 MET A 74 -11.068 3.566 -4.901 1.00 64.31 H new ATOM 0 HB3 MET A 74 -12.241 2.314 -4.544 1.00 64.31 H new ATOM 0 HG2 MET A 74 -11.108 2.799 -7.319 1.00 62.43 H new ATOM 0 HG3 MET A 74 -10.402 1.683 -6.168 1.00 62.43 H new ATOM 0 HE1 MET A 74 -12.031 -0.452 -8.989 1.00 34.14 H new ATOM 0 HE2 MET A 74 -10.640 0.563 -8.541 1.00 34.14 H new ATOM 0 HE3 MET A 74 -10.988 -0.924 -7.627 1.00 34.14 H new ATOM 1268 N GLU A 75 -13.441 5.809 -4.128 1.00 21.14 N ATOM 1269 CA GLU A 75 -13.963 6.522 -2.933 1.00 10.42 C ATOM 1270 C GLU A 75 -13.510 5.878 -1.590 1.00 24.32 C ATOM 1271 O GLU A 75 -14.203 5.999 -0.578 1.00 40.55 O ATOM 1272 CB GLU A 75 -15.523 6.629 -3.001 1.00 13.30 C ATOM 1273 CG GLU A 75 -16.077 7.390 -4.223 1.00 11.34 C ATOM 1274 CD GLU A 75 -17.616 7.467 -4.230 1.00 54.03 C ATOM 1275 OE1 GLU A 75 -18.184 8.295 -3.489 1.00 30.43 O ATOM 1276 OE2 GLU A 75 -18.264 6.688 -4.965 1.00 11.32 O ATOM 0 H GLU A 75 -12.865 6.401 -4.727 1.00 21.14 H new ATOM 0 HA GLU A 75 -13.533 7.523 -2.951 1.00 10.42 H new ATOM 0 HB2 GLU A 75 -15.941 5.622 -3.000 1.00 13.30 H new ATOM 0 HB3 GLU A 75 -15.877 7.121 -2.095 1.00 13.30 H new ATOM 0 HG2 GLU A 75 -15.667 8.400 -4.233 1.00 11.34 H new ATOM 0 HG3 GLU A 75 -15.738 6.899 -5.135 1.00 11.34 H new ATOM 1283 N ILE A 76 -12.318 5.243 -1.578 1.00 51.22 N ATOM 1284 CA ILE A 76 -11.759 4.581 -0.370 1.00 73.25 C ATOM 1285 C ILE A 76 -10.729 5.520 0.292 1.00 72.23 C ATOM 1286 O ILE A 76 -9.992 6.218 -0.418 1.00 61.11 O ATOM 1287 CB ILE A 76 -11.068 3.207 -0.738 1.00 60.14 C ATOM 1288 CG1 ILE A 76 -12.032 2.311 -1.577 1.00 74.12 C ATOM 1289 CG2 ILE A 76 -10.586 2.453 0.532 1.00 50.14 C ATOM 1290 CD1 ILE A 76 -11.388 1.068 -2.159 1.00 22.33 C ATOM 0 H ILE A 76 -11.716 5.173 -2.398 1.00 51.22 H new ATOM 0 HA ILE A 76 -12.576 4.374 0.321 1.00 73.25 H new ATOM 0 HB ILE A 76 -10.190 3.432 -1.343 1.00 60.14 H new ATOM 0 HG12 ILE A 76 -12.869 2.010 -0.947 1.00 74.12 H new ATOM 0 HG13 ILE A 76 -12.444 2.906 -2.391 1.00 74.12 H new ATOM 0 HG21 ILE A 76 -10.116 1.513 0.241 1.00 50.14 H new ATOM 0 HG22 ILE A 76 -9.864 3.069 1.069 1.00 50.14 H new ATOM 0 HG23 ILE A 76 -11.439 2.247 1.179 1.00 50.14 H new ATOM 0 HD11 ILE A 76 -12.130 0.505 -2.726 1.00 22.33 H new ATOM 0 HD12 ILE A 76 -10.570 1.357 -2.819 1.00 22.33 H new ATOM 0 HD13 ILE A 76 -11.001 0.447 -1.351 1.00 22.33 H new ATOM 1302 N ASP A 77 -10.697 5.547 1.642 1.00 74.24 N ATOM 1303 CA ASP A 77 -9.737 6.359 2.417 1.00 73.42 C ATOM 1304 C ASP A 77 -8.333 5.761 2.261 1.00 74.31 C ATOM 1305 O ASP A 77 -8.010 4.754 2.884 1.00 2.54 O ATOM 1306 CB ASP A 77 -10.131 6.405 3.918 1.00 4.31 C ATOM 1307 CG ASP A 77 -11.547 6.934 4.165 1.00 20.31 C ATOM 1308 OD1 ASP A 77 -12.502 6.118 4.182 1.00 1.03 O ATOM 1309 OD2 ASP A 77 -11.724 8.158 4.336 1.00 50.45 O ATOM 0 H ASP A 77 -11.336 5.006 2.224 1.00 74.24 H new ATOM 0 HA ASP A 77 -9.750 7.380 2.035 1.00 73.42 H new ATOM 0 HB2 ASP A 77 -10.049 5.402 4.337 1.00 4.31 H new ATOM 0 HB3 ASP A 77 -9.419 7.034 4.453 1.00 4.31 H new ATOM 1314 N VAL A 78 -7.522 6.348 1.376 1.00 73.11 N ATOM 1315 CA VAL A 78 -6.186 5.820 1.041 1.00 31.13 C ATOM 1316 C VAL A 78 -5.083 6.869 1.314 1.00 53.43 C ATOM 1317 O VAL A 78 -5.246 8.058 1.034 1.00 33.32 O ATOM 1318 CB VAL A 78 -6.137 5.323 -0.453 1.00 3.34 C ATOM 1319 CG1 VAL A 78 -4.720 4.871 -0.855 1.00 41.00 C ATOM 1320 CG2 VAL A 78 -7.167 4.183 -0.693 1.00 4.32 C ATOM 0 H VAL A 78 -7.767 7.199 0.871 1.00 73.11 H new ATOM 0 HA VAL A 78 -5.994 4.964 1.688 1.00 31.13 H new ATOM 0 HB VAL A 78 -6.406 6.168 -1.087 1.00 3.34 H new ATOM 0 HG11 VAL A 78 -4.726 4.535 -1.892 1.00 41.00 H new ATOM 0 HG12 VAL A 78 -4.028 5.706 -0.748 1.00 41.00 H new ATOM 0 HG13 VAL A 78 -4.403 4.052 -0.210 1.00 41.00 H new ATOM 0 HG21 VAL A 78 -7.114 3.857 -1.732 1.00 4.32 H new ATOM 0 HG22 VAL A 78 -6.939 3.343 -0.037 1.00 4.32 H new ATOM 0 HG23 VAL A 78 -8.171 4.549 -0.479 1.00 4.32 H new ATOM 1330 N ARG A 79 -3.980 6.378 1.892 1.00 52.04 N ATOM 1331 CA ARG A 79 -2.754 7.119 2.160 1.00 52.25 C ATOM 1332 C ARG A 79 -1.649 6.529 1.251 1.00 42.23 C ATOM 1333 O ARG A 79 -1.181 5.418 1.493 1.00 35.22 O ATOM 1334 CB ARG A 79 -2.414 6.946 3.669 1.00 53.21 C ATOM 1335 CG ARG A 79 -1.145 7.675 4.159 1.00 61.22 C ATOM 1336 CD ARG A 79 -1.260 9.205 4.066 1.00 24.04 C ATOM 1337 NE ARG A 79 -0.047 9.869 4.570 1.00 42.04 N ATOM 1338 CZ ARG A 79 0.222 11.182 4.484 1.00 22.41 C ATOM 1339 NH1 ARG A 79 -0.635 12.027 3.909 1.00 12.44 N ATOM 1340 NH2 ARG A 79 1.355 11.653 4.998 1.00 54.51 N ATOM 0 H ARG A 79 -3.921 5.407 2.198 1.00 52.04 H new ATOM 0 HA ARG A 79 -2.851 8.184 1.949 1.00 52.25 H new ATOM 0 HB2 ARG A 79 -3.262 7.298 4.256 1.00 53.21 H new ATOM 0 HB3 ARG A 79 -2.302 5.882 3.877 1.00 53.21 H new ATOM 0 HG2 ARG A 79 -0.947 7.393 5.193 1.00 61.22 H new ATOM 0 HG3 ARG A 79 -0.291 7.343 3.569 1.00 61.22 H new ATOM 0 HD2 ARG A 79 -1.431 9.496 3.029 1.00 24.04 H new ATOM 0 HD3 ARG A 79 -2.125 9.541 4.638 1.00 24.04 H new ATOM 0 HE ARG A 79 0.651 9.280 5.025 1.00 42.04 H new ATOM 0 HH11 ARG A 79 -1.514 11.679 3.525 1.00 12.44 H new ATOM 0 HH12 ARG A 79 -0.412 13.021 3.854 1.00 12.44 H new ATOM 0 HH21 ARG A 79 2.011 11.018 5.453 1.00 54.51 H new ATOM 0 HH22 ARG A 79 1.567 12.649 4.937 1.00 54.51 H new ATOM 1354 N THR A 80 -1.264 7.252 0.185 1.00 41.24 N ATOM 1355 CA THR A 80 -0.325 6.744 -0.840 1.00 42.23 C ATOM 1356 C THR A 80 1.024 7.474 -0.719 1.00 30.51 C ATOM 1357 O THR A 80 1.086 8.706 -0.859 1.00 35.21 O ATOM 1358 CB THR A 80 -0.917 6.927 -2.277 1.00 30.13 C ATOM 1359 OG1 THR A 80 -2.253 6.399 -2.325 1.00 44.24 O ATOM 1360 CG2 THR A 80 -0.070 6.236 -3.363 1.00 4.32 C ATOM 0 H THR A 80 -1.591 8.201 0.007 1.00 41.24 H new ATOM 0 HA THR A 80 -0.170 5.678 -0.672 1.00 42.23 H new ATOM 0 HB THR A 80 -0.915 7.997 -2.484 1.00 30.13 H new ATOM 0 HG1 THR A 80 -2.619 6.518 -3.226 1.00 44.24 H new ATOM 0 HG21 THR A 80 -0.528 6.396 -4.339 1.00 4.32 H new ATOM 0 HG22 THR A 80 0.936 6.655 -3.361 1.00 4.32 H new ATOM 0 HG23 THR A 80 -0.018 5.167 -3.158 1.00 4.32 H new ATOM 1368 N ARG A 81 2.099 6.713 -0.441 1.00 24.30 N ATOM 1369 CA ARG A 81 3.449 7.257 -0.205 1.00 22.01 C ATOM 1370 C ARG A 81 4.433 6.703 -1.254 1.00 62.24 C ATOM 1371 O ARG A 81 4.449 5.493 -1.505 1.00 70.32 O ATOM 1372 CB ARG A 81 3.942 6.878 1.223 1.00 34.15 C ATOM 1373 CG ARG A 81 3.024 7.308 2.393 1.00 53.44 C ATOM 1374 CD ARG A 81 2.768 8.824 2.427 1.00 54.42 C ATOM 1375 NE ARG A 81 4.016 9.605 2.366 1.00 3.42 N ATOM 1376 CZ ARG A 81 4.095 10.926 2.127 1.00 41.40 C ATOM 1377 NH1 ARG A 81 2.999 11.662 1.930 1.00 54.42 N ATOM 1378 NH2 ARG A 81 5.287 11.499 2.050 1.00 74.14 N ATOM 0 H ARG A 81 2.055 5.696 -0.373 1.00 24.30 H new ATOM 0 HA ARG A 81 3.405 8.343 -0.290 1.00 22.01 H new ATOM 0 HB2 ARG A 81 4.071 5.796 1.267 1.00 34.15 H new ATOM 0 HB3 ARG A 81 4.925 7.322 1.376 1.00 34.15 H new ATOM 0 HG2 ARG A 81 2.071 6.785 2.311 1.00 53.44 H new ATOM 0 HG3 ARG A 81 3.477 7.000 3.335 1.00 53.44 H new ATOM 0 HD2 ARG A 81 2.128 9.101 1.589 1.00 54.42 H new ATOM 0 HD3 ARG A 81 2.227 9.078 3.339 1.00 54.42 H new ATOM 0 HE ARG A 81 4.891 9.103 2.517 1.00 3.42 H new ATOM 0 HH11 ARG A 81 2.078 11.224 1.959 1.00 54.42 H new ATOM 0 HH12 ARG A 81 3.082 12.663 1.750 1.00 54.42 H new ATOM 0 HH21 ARG A 81 6.131 10.939 2.171 1.00 74.14 H new ATOM 0 HH22 ARG A 81 5.361 12.500 1.869 1.00 74.14 H new ATOM 1392 N LYS A 82 5.253 7.586 -1.858 1.00 33.33 N ATOM 1393 CA LYS A 82 6.334 7.185 -2.763 1.00 75.15 C ATOM 1394 C LYS A 82 7.577 6.837 -1.939 1.00 12.01 C ATOM 1395 O LYS A 82 8.047 7.652 -1.134 1.00 1.23 O ATOM 1396 CB LYS A 82 6.666 8.322 -3.769 1.00 32.32 C ATOM 1397 CG LYS A 82 7.862 7.999 -4.693 1.00 5.02 C ATOM 1398 CD LYS A 82 8.406 9.230 -5.454 1.00 41.34 C ATOM 1399 CE LYS A 82 9.730 8.914 -6.163 1.00 51.52 C ATOM 1400 NZ LYS A 82 10.363 10.126 -6.752 1.00 55.01 N ATOM 0 H LYS A 82 5.180 8.595 -1.728 1.00 33.33 H new ATOM 0 HA LYS A 82 6.012 6.313 -3.332 1.00 75.15 H new ATOM 0 HB2 LYS A 82 5.787 8.522 -4.382 1.00 32.32 H new ATOM 0 HB3 LYS A 82 6.882 9.235 -3.214 1.00 32.32 H new ATOM 0 HG2 LYS A 82 8.665 7.567 -4.096 1.00 5.02 H new ATOM 0 HG3 LYS A 82 7.558 7.241 -5.415 1.00 5.02 H new ATOM 0 HD2 LYS A 82 7.670 9.561 -6.187 1.00 41.34 H new ATOM 0 HD3 LYS A 82 8.554 10.054 -4.756 1.00 41.34 H new ATOM 0 HE2 LYS A 82 10.419 8.457 -5.453 1.00 51.52 H new ATOM 0 HE3 LYS A 82 9.551 8.182 -6.950 1.00 51.52 H new ATOM 0 HZ1 LYS A 82 11.397 10.055 -6.664 1.00 55.01 H new ATOM 0 HZ2 LYS A 82 10.106 10.199 -7.757 1.00 55.01 H new ATOM 0 HZ3 LYS A 82 10.029 10.972 -6.247 1.00 55.01 H new ATOM 1414 N VAL A 83 8.099 5.619 -2.133 1.00 13.34 N ATOM 1415 CA VAL A 83 9.323 5.155 -1.468 1.00 25.50 C ATOM 1416 C VAL A 83 10.322 4.650 -2.516 1.00 22.31 C ATOM 1417 O VAL A 83 9.952 3.971 -3.478 1.00 63.41 O ATOM 1418 CB VAL A 83 9.022 4.045 -0.392 1.00 71.53 C ATOM 1419 CG1 VAL A 83 8.171 4.619 0.766 1.00 74.23 C ATOM 1420 CG2 VAL A 83 8.335 2.811 -1.029 1.00 11.35 C ATOM 0 H VAL A 83 7.684 4.927 -2.756 1.00 13.34 H new ATOM 0 HA VAL A 83 9.762 5.999 -0.935 1.00 25.50 H new ATOM 0 HB VAL A 83 9.975 3.713 0.019 1.00 71.53 H new ATOM 0 HG11 VAL A 83 7.975 3.835 1.497 1.00 74.23 H new ATOM 0 HG12 VAL A 83 8.712 5.435 1.245 1.00 74.23 H new ATOM 0 HG13 VAL A 83 7.225 4.992 0.372 1.00 74.23 H new ATOM 0 HG21 VAL A 83 8.141 2.064 -0.259 1.00 11.35 H new ATOM 0 HG22 VAL A 83 7.393 3.114 -1.485 1.00 11.35 H new ATOM 0 HG23 VAL A 83 8.987 2.385 -1.792 1.00 11.35 H new ATOM 1430 N THR A 84 11.584 5.052 -2.348 1.00 41.33 N ATOM 1431 CA THR A 84 12.715 4.602 -3.177 1.00 41.34 C ATOM 1432 C THR A 84 13.743 3.866 -2.295 1.00 72.02 C ATOM 1433 O THR A 84 14.869 3.595 -2.722 1.00 25.03 O ATOM 1434 CB THR A 84 13.378 5.819 -3.912 1.00 32.24 C ATOM 1435 OG1 THR A 84 13.710 6.843 -2.957 1.00 4.31 O ATOM 1436 CG2 THR A 84 12.461 6.410 -5.006 1.00 31.42 C ATOM 0 H THR A 84 11.858 5.712 -1.620 1.00 41.33 H new ATOM 0 HA THR A 84 12.348 3.913 -3.938 1.00 41.34 H new ATOM 0 HB THR A 84 14.281 5.453 -4.400 1.00 32.24 H new ATOM 0 HG1 THR A 84 14.125 7.600 -3.420 1.00 4.31 H new ATOM 0 HG21 THR A 84 12.963 7.250 -5.487 1.00 31.42 H new ATOM 0 HG22 THR A 84 12.242 5.644 -5.750 1.00 31.42 H new ATOM 0 HG23 THR A 84 11.531 6.754 -4.554 1.00 31.42 H new ATOM 1444 N SER A 85 13.317 3.520 -1.059 1.00 11.42 N ATOM 1445 CA SER A 85 14.155 2.873 -0.043 1.00 52.44 C ATOM 1446 C SER A 85 13.265 1.965 0.842 1.00 12.24 C ATOM 1447 O SER A 85 12.144 2.377 1.201 1.00 22.41 O ATOM 1448 CB SER A 85 14.865 3.947 0.819 1.00 63.02 C ATOM 1449 OG SER A 85 15.690 4.793 0.028 1.00 4.20 O ATOM 0 H SER A 85 12.363 3.689 -0.741 1.00 11.42 H new ATOM 0 HA SER A 85 14.919 2.264 -0.527 1.00 52.44 H new ATOM 0 HB2 SER A 85 14.119 4.548 1.339 1.00 63.02 H new ATOM 0 HB3 SER A 85 15.470 3.459 1.583 1.00 63.02 H new ATOM 0 HG SER A 85 16.121 5.459 0.603 1.00 4.20 H new ATOM 1455 N PRO A 86 13.737 0.722 1.200 1.00 41.30 N ATOM 1456 CA PRO A 86 12.937 -0.258 1.974 1.00 21.40 C ATOM 1457 C PRO A 86 12.524 0.253 3.358 1.00 43.11 C ATOM 1458 O PRO A 86 11.363 0.118 3.734 1.00 53.44 O ATOM 1459 CB PRO A 86 13.855 -1.512 2.052 1.00 33.30 C ATOM 1460 CG PRO A 86 15.239 -0.991 1.810 1.00 72.34 C ATOM 1461 CD PRO A 86 15.076 0.168 0.854 1.00 54.34 C ATOM 0 HA PRO A 86 11.981 -0.468 1.494 1.00 21.40 H new ATOM 0 HB2 PRO A 86 13.780 -1.997 3.025 1.00 33.30 H new ATOM 0 HB3 PRO A 86 13.575 -2.254 1.304 1.00 33.30 H new ATOM 0 HG2 PRO A 86 15.705 -0.668 2.741 1.00 72.34 H new ATOM 0 HG3 PRO A 86 15.880 -1.763 1.384 1.00 72.34 H new ATOM 0 HD2 PRO A 86 15.863 0.910 0.986 1.00 54.34 H new ATOM 0 HD3 PRO A 86 15.118 -0.160 -0.185 1.00 54.34 H new ATOM 1469 N ASP A 87 13.465 0.895 4.080 1.00 22.54 N ATOM 1470 CA ASP A 87 13.236 1.337 5.478 1.00 75.12 C ATOM 1471 C ASP A 87 12.258 2.524 5.545 1.00 53.35 C ATOM 1472 O ASP A 87 11.620 2.735 6.584 1.00 54.30 O ATOM 1473 CB ASP A 87 14.569 1.660 6.206 1.00 14.12 C ATOM 1474 CG ASP A 87 15.526 0.449 6.277 1.00 72.11 C ATOM 1475 OD1 ASP A 87 15.196 -0.549 6.960 1.00 44.12 O ATOM 1476 OD2 ASP A 87 16.602 0.476 5.639 1.00 2.13 O ATOM 0 H ASP A 87 14.393 1.121 3.721 1.00 22.54 H new ATOM 0 HA ASP A 87 12.773 0.502 6.005 1.00 75.12 H new ATOM 0 HB2 ASP A 87 15.068 2.481 5.691 1.00 14.12 H new ATOM 0 HB3 ASP A 87 14.351 2.003 7.217 1.00 14.12 H new ATOM 1481 N GLU A 88 12.150 3.298 4.444 1.00 71.22 N ATOM 1482 CA GLU A 88 11.109 4.342 4.299 1.00 72.44 C ATOM 1483 C GLU A 88 9.711 3.694 4.267 1.00 32.43 C ATOM 1484 O GLU A 88 8.798 4.143 4.966 1.00 14.14 O ATOM 1485 CB GLU A 88 11.332 5.189 3.013 1.00 71.33 C ATOM 1486 CG GLU A 88 12.614 6.044 3.022 1.00 53.55 C ATOM 1487 CD GLU A 88 12.656 7.098 4.149 1.00 71.04 C ATOM 1488 OE1 GLU A 88 12.002 8.153 4.013 1.00 53.43 O ATOM 1489 OE2 GLU A 88 13.335 6.872 5.172 1.00 75.23 O ATOM 0 H GLU A 88 12.772 3.220 3.640 1.00 71.22 H new ATOM 0 HA GLU A 88 11.179 5.008 5.159 1.00 72.44 H new ATOM 0 HB2 GLU A 88 11.364 4.519 2.154 1.00 71.33 H new ATOM 0 HB3 GLU A 88 10.474 5.846 2.873 1.00 71.33 H new ATOM 0 HG2 GLU A 88 13.477 5.386 3.121 1.00 53.55 H new ATOM 0 HG3 GLU A 88 12.708 6.550 2.061 1.00 53.55 H new ATOM 1496 N ALA A 89 9.589 2.611 3.469 1.00 72.44 N ATOM 1497 CA ALA A 89 8.338 1.846 3.312 1.00 24.43 C ATOM 1498 C ALA A 89 7.944 1.160 4.626 1.00 14.52 C ATOM 1499 O ALA A 89 6.772 1.162 5.014 1.00 62.25 O ATOM 1500 CB ALA A 89 8.487 0.808 2.189 1.00 31.22 C ATOM 0 H ALA A 89 10.361 2.243 2.914 1.00 72.44 H new ATOM 0 HA ALA A 89 7.544 2.543 3.044 1.00 24.43 H new ATOM 0 HB1 ALA A 89 7.557 0.250 2.083 1.00 31.22 H new ATOM 0 HB2 ALA A 89 8.714 1.316 1.252 1.00 31.22 H new ATOM 0 HB3 ALA A 89 9.296 0.120 2.434 1.00 31.22 H new ATOM 1506 N LYS A 90 8.961 0.603 5.311 1.00 31.32 N ATOM 1507 CA LYS A 90 8.812 -0.064 6.608 1.00 60.30 C ATOM 1508 C LYS A 90 8.329 0.927 7.676 1.00 45.01 C ATOM 1509 O LYS A 90 7.469 0.586 8.504 1.00 23.03 O ATOM 1510 CB LYS A 90 10.177 -0.664 7.032 1.00 23.53 C ATOM 1511 CG LYS A 90 10.699 -1.802 6.126 1.00 53.13 C ATOM 1512 CD LYS A 90 12.168 -2.191 6.444 1.00 53.32 C ATOM 1513 CE LYS A 90 12.368 -2.744 7.857 1.00 41.41 C ATOM 1514 NZ LYS A 90 13.781 -3.152 8.093 1.00 71.31 N ATOM 0 H LYS A 90 9.922 0.607 4.969 1.00 31.32 H new ATOM 0 HA LYS A 90 8.070 -0.857 6.514 1.00 60.30 H new ATOM 0 HB2 LYS A 90 10.918 0.135 7.050 1.00 23.53 H new ATOM 0 HB3 LYS A 90 10.090 -1.042 8.051 1.00 23.53 H new ATOM 0 HG2 LYS A 90 10.061 -2.678 6.245 1.00 53.13 H new ATOM 0 HG3 LYS A 90 10.626 -1.494 5.083 1.00 53.13 H new ATOM 0 HD2 LYS A 90 12.501 -2.936 5.722 1.00 53.32 H new ATOM 0 HD3 LYS A 90 12.803 -1.314 6.314 1.00 53.32 H new ATOM 0 HE2 LYS A 90 12.080 -1.988 8.588 1.00 41.41 H new ATOM 0 HE3 LYS A 90 11.711 -3.601 8.009 1.00 41.41 H new ATOM 0 HZ1 LYS A 90 13.849 -3.659 8.998 1.00 71.31 H new ATOM 0 HZ2 LYS A 90 14.096 -3.775 7.322 1.00 71.31 H new ATOM 0 HZ3 LYS A 90 14.386 -2.307 8.124 1.00 71.31 H new ATOM 1528 N ARG A 91 8.909 2.153 7.651 1.00 60.44 N ATOM 1529 CA ARG A 91 8.552 3.202 8.600 1.00 5.21 C ATOM 1530 C ARG A 91 7.088 3.601 8.428 1.00 41.21 C ATOM 1531 O ARG A 91 6.370 3.644 9.412 1.00 31.00 O ATOM 1532 CB ARG A 91 9.450 4.467 8.492 1.00 11.31 C ATOM 1533 CG ARG A 91 9.098 5.531 9.562 1.00 11.31 C ATOM 1534 CD ARG A 91 9.866 6.856 9.448 1.00 22.20 C ATOM 1535 NE ARG A 91 9.326 7.833 10.413 1.00 4.03 N ATOM 1536 CZ ARG A 91 9.786 9.076 10.627 1.00 13.35 C ATOM 1537 NH1 ARG A 91 10.835 9.550 9.952 1.00 21.02 N ATOM 1538 NH2 ARG A 91 9.178 9.844 11.526 1.00 20.02 N ATOM 0 H ARG A 91 9.625 2.426 6.978 1.00 60.44 H new ATOM 0 HA ARG A 91 8.715 2.779 9.591 1.00 5.21 H new ATOM 0 HB2 ARG A 91 10.495 4.178 8.600 1.00 11.31 H new ATOM 0 HB3 ARG A 91 9.341 4.903 7.499 1.00 11.31 H new ATOM 0 HG2 ARG A 91 8.030 5.743 9.503 1.00 11.31 H new ATOM 0 HG3 ARG A 91 9.284 5.106 10.548 1.00 11.31 H new ATOM 0 HD2 ARG A 91 10.926 6.690 9.640 1.00 22.20 H new ATOM 0 HD3 ARG A 91 9.783 7.249 8.435 1.00 22.20 H new ATOM 0 HE ARG A 91 8.526 7.535 10.971 1.00 4.03 H new ATOM 0 HH11 ARG A 91 11.302 8.965 9.259 1.00 21.02 H new ATOM 0 HH12 ARG A 91 11.170 10.497 10.129 1.00 21.02 H new ATOM 0 HH21 ARG A 91 8.374 9.487 12.042 1.00 20.02 H new ATOM 0 HH22 ARG A 91 9.516 10.791 11.700 1.00 20.02 H new ATOM 1552 N TRP A 92 6.650 3.889 7.178 1.00 3.40 N ATOM 1553 CA TRP A 92 5.251 4.279 6.906 1.00 43.52 C ATOM 1554 C TRP A 92 4.218 3.242 7.408 1.00 51.31 C ATOM 1555 O TRP A 92 3.123 3.627 7.811 1.00 24.30 O ATOM 1556 CB TRP A 92 5.018 4.553 5.398 1.00 11.42 C ATOM 1557 CG TRP A 92 5.710 5.786 4.846 1.00 1.31 C ATOM 1558 CD1 TRP A 92 6.521 5.850 3.749 1.00 41.01 C ATOM 1559 CD2 TRP A 92 5.624 7.135 5.348 1.00 33.12 C ATOM 1560 NE1 TRP A 92 6.943 7.134 3.542 1.00 1.01 N ATOM 1561 CE2 TRP A 92 6.409 7.941 4.507 1.00 2.35 C ATOM 1562 CE3 TRP A 92 4.962 7.738 6.419 1.00 72.13 C ATOM 1563 CZ2 TRP A 92 6.551 9.309 4.701 1.00 32.43 C ATOM 1564 CZ3 TRP A 92 5.106 9.098 6.615 1.00 75.30 C ATOM 1565 CH2 TRP A 92 5.894 9.874 5.756 1.00 73.21 C ATOM 0 H TRP A 92 7.244 3.858 6.349 1.00 3.40 H new ATOM 0 HA TRP A 92 5.094 5.199 7.470 1.00 43.52 H new ATOM 0 HB2 TRP A 92 5.354 3.684 4.832 1.00 11.42 H new ATOM 0 HB3 TRP A 92 3.946 4.651 5.225 1.00 11.42 H new ATOM 0 HD1 TRP A 92 6.791 5.006 3.132 1.00 41.01 H new ATOM 0 HE1 TRP A 92 7.558 7.440 2.788 1.00 1.01 H new ATOM 0 HE3 TRP A 92 4.347 7.150 7.084 1.00 72.13 H new ATOM 0 HZ2 TRP A 92 7.161 9.906 4.039 1.00 32.43 H new ATOM 0 HZ3 TRP A 92 4.602 9.571 7.445 1.00 75.30 H new ATOM 0 HH2 TRP A 92 5.983 10.936 5.931 1.00 73.21 H new ATOM 1576 N ILE A 93 4.582 1.941 7.384 1.00 74.15 N ATOM 1577 CA ILE A 93 3.716 0.857 7.893 1.00 21.14 C ATOM 1578 C ILE A 93 3.614 0.948 9.428 1.00 15.34 C ATOM 1579 O ILE A 93 2.517 0.846 9.998 1.00 35.31 O ATOM 1580 CB ILE A 93 4.260 -0.552 7.447 1.00 3.13 C ATOM 1581 CG1 ILE A 93 4.222 -0.665 5.892 1.00 3.23 C ATOM 1582 CG2 ILE A 93 3.486 -1.721 8.115 1.00 4.34 C ATOM 1583 CD1 ILE A 93 4.802 -1.949 5.337 1.00 13.33 C ATOM 0 H ILE A 93 5.476 1.616 7.015 1.00 74.15 H new ATOM 0 HA ILE A 93 2.719 0.975 7.468 1.00 21.14 H new ATOM 0 HB ILE A 93 5.293 -0.635 7.785 1.00 3.13 H new ATOM 0 HG12 ILE A 93 3.188 -0.576 5.560 1.00 3.23 H new ATOM 0 HG13 ILE A 93 4.767 0.178 5.467 1.00 3.23 H new ATOM 0 HG21 ILE A 93 3.898 -2.671 7.776 1.00 4.34 H new ATOM 0 HG22 ILE A 93 3.583 -1.650 9.198 1.00 4.34 H new ATOM 0 HG23 ILE A 93 2.433 -1.664 7.840 1.00 4.34 H new ATOM 0 HD11 ILE A 93 4.733 -1.939 4.249 1.00 13.33 H new ATOM 0 HD12 ILE A 93 5.847 -2.034 5.633 1.00 13.33 H new ATOM 0 HD13 ILE A 93 4.244 -2.799 5.728 1.00 13.33 H new ATOM 1595 N LYS A 94 4.782 1.168 10.076 1.00 53.03 N ATOM 1596 CA LYS A 94 4.881 1.402 11.529 1.00 2.12 C ATOM 1597 C LYS A 94 4.031 2.621 11.946 1.00 34.40 C ATOM 1598 O LYS A 94 3.247 2.525 12.894 1.00 12.53 O ATOM 1599 CB LYS A 94 6.367 1.613 11.925 1.00 71.42 C ATOM 1600 CG LYS A 94 6.642 1.692 13.445 1.00 2.31 C ATOM 1601 CD LYS A 94 8.104 2.072 13.776 1.00 71.45 C ATOM 1602 CE LYS A 94 8.484 3.485 13.284 1.00 3.24 C ATOM 1603 NZ LYS A 94 7.631 4.548 13.886 1.00 44.32 N ATOM 0 H LYS A 94 5.684 1.187 9.600 1.00 53.03 H new ATOM 0 HA LYS A 94 4.494 0.528 12.053 1.00 2.12 H new ATOM 0 HB2 LYS A 94 6.956 0.796 11.508 1.00 71.42 H new ATOM 0 HB3 LYS A 94 6.723 2.532 11.460 1.00 71.42 H new ATOM 0 HG2 LYS A 94 5.972 2.426 13.892 1.00 2.31 H new ATOM 0 HG3 LYS A 94 6.411 0.729 13.901 1.00 2.31 H new ATOM 0 HD2 LYS A 94 8.253 2.016 14.854 1.00 71.45 H new ATOM 0 HD3 LYS A 94 8.775 1.342 13.323 1.00 71.45 H new ATOM 0 HE2 LYS A 94 9.528 3.682 13.526 1.00 3.24 H new ATOM 0 HE3 LYS A 94 8.395 3.524 12.198 1.00 3.24 H new ATOM 0 HZ1 LYS A 94 7.157 5.082 13.130 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 6.916 4.112 14.503 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 8.224 5.193 14.446 1.00 44.32 H new ATOM 1617 N GLU A 95 4.157 3.727 11.170 1.00 13.23 N ATOM 1618 CA GLU A 95 3.429 4.985 11.418 1.00 1.30 C ATOM 1619 C GLU A 95 1.912 4.738 11.361 1.00 23.02 C ATOM 1620 O GLU A 95 1.196 5.026 12.309 1.00 22.13 O ATOM 1621 CB GLU A 95 3.811 6.069 10.364 1.00 3.01 C ATOM 1622 CG GLU A 95 5.298 6.484 10.327 1.00 3.02 C ATOM 1623 CD GLU A 95 5.834 7.084 11.642 1.00 31.41 C ATOM 1624 OE1 GLU A 95 5.181 7.983 12.207 1.00 32.11 O ATOM 1625 OE2 GLU A 95 6.929 6.676 12.101 1.00 25.44 O ATOM 0 H GLU A 95 4.769 3.766 10.355 1.00 13.23 H new ATOM 0 HA GLU A 95 3.708 5.343 12.409 1.00 1.30 H new ATOM 0 HB2 GLU A 95 3.533 5.701 9.377 1.00 3.01 H new ATOM 0 HB3 GLU A 95 3.211 6.959 10.554 1.00 3.01 H new ATOM 0 HG2 GLU A 95 5.898 5.611 10.071 1.00 3.02 H new ATOM 0 HG3 GLU A 95 5.438 7.212 9.528 1.00 3.02 H new ATOM 1632 N PHE A 96 1.474 4.142 10.237 1.00 54.22 N ATOM 1633 CA PHE A 96 0.059 3.850 9.913 1.00 60.24 C ATOM 1634 C PHE A 96 -0.624 2.973 10.997 1.00 70.41 C ATOM 1635 O PHE A 96 -1.836 3.091 11.242 1.00 53.15 O ATOM 1636 CB PHE A 96 0.038 3.140 8.530 1.00 11.41 C ATOM 1637 CG PHE A 96 -1.321 3.012 7.850 1.00 22.02 C ATOM 1638 CD1 PHE A 96 -1.992 4.147 7.384 1.00 22.23 C ATOM 1639 CD2 PHE A 96 -1.909 1.759 7.626 1.00 42.34 C ATOM 1640 CE1 PHE A 96 -3.204 4.036 6.730 1.00 1.33 C ATOM 1641 CE2 PHE A 96 -3.123 1.657 6.977 1.00 13.04 C ATOM 1642 CZ PHE A 96 -3.765 2.793 6.525 1.00 74.23 C ATOM 0 H PHE A 96 2.114 3.839 9.503 1.00 54.22 H new ATOM 0 HA PHE A 96 -0.508 4.780 9.882 1.00 60.24 H new ATOM 0 HB2 PHE A 96 0.705 3.681 7.859 1.00 11.41 H new ATOM 0 HB3 PHE A 96 0.453 2.140 8.654 1.00 11.41 H new ATOM 0 HD1 PHE A 96 -1.557 5.124 7.537 1.00 22.23 H new ATOM 0 HD2 PHE A 96 -1.407 0.865 7.965 1.00 42.34 H new ATOM 0 HE1 PHE A 96 -3.712 4.922 6.379 1.00 1.33 H new ATOM 0 HE2 PHE A 96 -3.572 0.687 6.822 1.00 13.04 H new ATOM 0 HZ PHE A 96 -4.710 2.708 6.009 1.00 74.23 H new ATOM 1652 N SER A 97 0.187 2.111 11.636 1.00 23.12 N ATOM 1653 CA SER A 97 -0.256 1.189 12.690 1.00 75.12 C ATOM 1654 C SER A 97 -0.369 1.906 14.058 1.00 14.13 C ATOM 1655 O SER A 97 -1.349 1.699 14.788 1.00 11.11 O ATOM 1656 CB SER A 97 0.731 0.006 12.769 1.00 24.33 C ATOM 1657 OG SER A 97 0.294 -0.984 13.678 1.00 73.02 O ATOM 0 H SER A 97 1.183 2.036 11.429 1.00 23.12 H new ATOM 0 HA SER A 97 -1.250 0.818 12.442 1.00 75.12 H new ATOM 0 HB2 SER A 97 0.848 -0.436 11.779 1.00 24.33 H new ATOM 0 HB3 SER A 97 1.712 0.371 13.073 1.00 24.33 H new ATOM 0 HG SER A 97 1.061 -1.327 14.182 1.00 73.02 H new