USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 ASN : amide:sc= 0.406 X(o=0.41,f=-0.045) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 156:sc=-0.00305 (180deg=-0.541) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 43:sc= 0.617 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.024) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0131 USER MOD Single : A 47 CYS SG : rot 67:sc= -0.623 USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.0561 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 150:sc= -0.749 USER MOD Single : A 66 MET CE :methyl -112:sc= -1.32 (180deg=-3.4!) USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.128) USER MOD Single : A 70 MET CE :methyl 146:sc= -0.132 (180deg=-2.58!) USER MOD Single : A 71 GLN : amide:sc= -0.0067 K(o=-0.0067,f=-2.6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 79 ASN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.28) USER MOD Single : A 90 GLN : amide:sc= -3.75 K(o=-3.8,f=-7.7!) USER MOD Single : A 94 GLN : amide:sc= -0.295 X(o=-0.29,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -89:sc= -1.85! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0194 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 11.993 -5.790 1.332 1.00 0.00 N ATOM 2 CA ALA A 8 11.977 -4.576 0.525 1.00 0.00 C ATOM 3 C ALA A 8 11.119 -3.496 1.177 1.00 0.00 C ATOM 4 O ALA A 8 9.894 -3.593 1.203 1.00 0.00 O ATOM 5 CB ALA A 8 11.468 -4.881 -0.877 1.00 0.00 C ATOM 0 HA ALA A 8 12.998 -4.201 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.461 -3.966 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.122 -5.614 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.456 -5.282 -0.818 1.00 0.00 H new ATOM 11 N ALA A 9 11.774 -2.465 1.702 1.00 0.00 N ATOM 12 CA ALA A 9 11.072 -1.366 2.353 1.00 0.00 C ATOM 13 C ALA A 9 10.098 -0.692 1.392 1.00 0.00 C ATOM 14 O ALA A 9 10.204 -0.817 0.173 1.00 0.00 O ATOM 15 CB ALA A 9 12.068 -0.351 2.895 1.00 0.00 C ATOM 0 H ALA A 9 12.789 -2.368 1.689 1.00 0.00 H new ATOM 0 HA ALA A 9 10.498 -1.775 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.530 0.464 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.722 -0.835 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.666 0.045 2.075 1.00 0.00 H new ATOM 21 N PRO A 10 9.124 0.040 1.953 1.00 0.00 N ATOM 22 CA PRO A 10 8.111 0.748 1.164 1.00 0.00 C ATOM 23 C PRO A 10 8.694 1.931 0.400 1.00 0.00 C ATOM 24 O PRO A 10 8.444 2.095 -0.793 1.00 0.00 O ATOM 25 CB PRO A 10 7.114 1.233 2.220 1.00 0.00 C ATOM 26 CG PRO A 10 7.909 1.328 3.477 1.00 0.00 C ATOM 27 CD PRO A 10 8.936 0.233 3.401 1.00 0.00 C ATOM 0 HA PRO A 10 7.668 0.108 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.687 2.198 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.283 0.536 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.385 2.304 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.271 1.205 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.866 0.520 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.588 -0.679 3.886 1.00 0.00 H new ATOM 35 N ASN A 11 9.474 2.753 1.095 1.00 0.00 N ATOM 36 CA ASN A 11 10.093 3.922 0.481 1.00 0.00 C ATOM 37 C ASN A 11 11.047 4.607 1.456 1.00 0.00 C ATOM 38 O ASN A 11 10.986 4.380 2.665 1.00 0.00 O ATOM 39 CB ASN A 11 9.020 4.910 0.021 1.00 0.00 C ATOM 40 CG ASN A 11 9.471 5.742 -1.164 1.00 0.00 C ATOM 41 OD1 ASN A 11 9.781 5.207 -2.229 1.00 0.00 O ATOM 42 ND2 ASN A 11 9.509 7.057 -0.984 1.00 0.00 N ATOM 0 H ASN A 11 9.692 2.631 2.084 1.00 0.00 H new ATOM 0 HA ASN A 11 10.665 3.588 -0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.116 4.362 -0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.760 5.571 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.804 7.668 -1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.243 7.456 -0.084 1.00 0.00 H new ATOM 49 N LEU A 12 11.927 5.446 0.921 1.00 0.00 N ATOM 50 CA LEU A 12 12.894 6.166 1.742 1.00 0.00 C ATOM 51 C LEU A 12 12.481 7.623 1.919 1.00 0.00 C ATOM 52 O LEU A 12 12.798 8.251 2.930 1.00 0.00 O ATOM 53 CB LEU A 12 14.285 6.091 1.110 1.00 0.00 C ATOM 54 CG LEU A 12 14.535 7.023 -0.076 1.00 0.00 C ATOM 55 CD1 LEU A 12 15.089 8.356 0.401 1.00 0.00 C ATOM 56 CD2 LEU A 12 15.482 6.374 -1.074 1.00 0.00 C ATOM 0 H LEU A 12 11.991 5.644 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 12 12.922 5.694 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.024 6.310 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.459 5.066 0.783 1.00 0.00 H new ATOM 0 HG LEU A 12 13.584 7.207 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.261 9.006 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.374 8.827 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.030 8.192 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.648 7.052 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.433 6.159 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.044 5.445 -1.440 1.00 0.00 H new ATOM 68 N ALA A 13 11.771 8.156 0.930 1.00 0.00 N ATOM 69 CA ALA A 13 11.310 9.538 0.978 1.00 0.00 C ATOM 70 C ALA A 13 9.830 9.611 1.340 1.00 0.00 C ATOM 71 O ALA A 13 9.153 8.588 1.431 1.00 0.00 O ATOM 72 CB ALA A 13 11.565 10.225 -0.354 1.00 0.00 C ATOM 0 H ALA A 13 11.502 7.651 0.085 1.00 0.00 H new ATOM 0 HA ALA A 13 11.872 10.056 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.216 11.256 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.633 10.214 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.029 9.698 -1.144 1.00 0.00 H new ATOM 78 N GLY A 14 9.335 10.828 1.544 1.00 0.00 N ATOM 79 CA GLY A 14 7.939 11.012 1.894 1.00 0.00 C ATOM 80 C GLY A 14 7.000 10.478 0.830 1.00 0.00 C ATOM 81 O GLY A 14 5.822 10.241 1.095 1.00 0.00 O ATOM 0 H GLY A 14 9.876 11.690 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.735 10.510 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.743 12.073 2.048 1.00 0.00 H new ATOM 85 N ALA A 15 7.522 10.290 -0.377 1.00 0.00 N ATOM 86 CA ALA A 15 6.722 9.781 -1.484 1.00 0.00 C ATOM 87 C ALA A 15 5.608 10.756 -1.851 1.00 0.00 C ATOM 88 O ALA A 15 4.473 10.352 -2.100 1.00 0.00 O ATOM 89 CB ALA A 15 6.139 8.420 -1.133 1.00 0.00 C ATOM 0 H ALA A 15 8.495 10.482 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 15 7.375 9.672 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.544 8.052 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.948 7.719 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.506 8.512 -0.250 1.00 0.00 H new ATOM 95 N VAL A 16 5.941 12.043 -1.882 1.00 0.00 N ATOM 96 CA VAL A 16 4.969 13.076 -2.218 1.00 0.00 C ATOM 97 C VAL A 16 4.428 12.884 -3.630 1.00 0.00 C ATOM 98 O VAL A 16 3.280 13.219 -3.917 1.00 0.00 O ATOM 99 CB VAL A 16 5.582 14.484 -2.102 1.00 0.00 C ATOM 100 CG1 VAL A 16 6.058 14.743 -0.681 1.00 0.00 C ATOM 101 CG2 VAL A 16 6.724 14.650 -3.094 1.00 0.00 C ATOM 0 H VAL A 16 6.877 12.395 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 16 4.151 12.984 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 16 4.813 15.218 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.488 15.743 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.214 14.667 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.813 14.005 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.146 15.650 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.496 13.909 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.349 14.509 -4.108 1.00 0.00 H new ATOM 111 N GLU A 17 5.266 12.341 -4.509 1.00 0.00 N ATOM 112 CA GLU A 17 4.871 12.104 -5.893 1.00 0.00 C ATOM 113 C GLU A 17 4.183 10.750 -6.038 1.00 0.00 C ATOM 114 O GLU A 17 4.657 9.741 -5.518 1.00 0.00 O ATOM 115 CB GLU A 17 6.093 12.169 -6.812 1.00 0.00 C ATOM 116 CG GLU A 17 6.873 13.468 -6.699 1.00 0.00 C ATOM 117 CD GLU A 17 8.067 13.515 -7.632 1.00 0.00 C ATOM 118 OE1 GLU A 17 7.863 13.735 -8.844 1.00 0.00 O ATOM 119 OE2 GLU A 17 9.204 13.332 -7.151 1.00 0.00 O ATOM 0 H GLU A 17 6.221 12.058 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 17 4.165 12.883 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.756 11.336 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.768 12.039 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.211 14.305 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.214 13.594 -5.672 1.00 0.00 H new ATOM 126 N PHE A 18 3.060 10.738 -6.749 1.00 0.00 N ATOM 127 CA PHE A 18 2.303 9.510 -6.963 1.00 0.00 C ATOM 128 C PHE A 18 3.108 8.513 -7.791 1.00 0.00 C ATOM 129 O PHE A 18 2.993 7.301 -7.608 1.00 0.00 O ATOM 130 CB PHE A 18 0.977 9.818 -7.661 1.00 0.00 C ATOM 131 CG PHE A 18 0.100 8.611 -7.840 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.097 7.720 -6.796 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.528 8.368 -9.050 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.902 6.609 -6.958 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.336 7.258 -9.217 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.524 6.379 -8.169 1.00 0.00 C ATOM 0 H PHE A 18 2.654 11.565 -7.187 1.00 0.00 H new ATOM 0 HA PHE A 18 2.097 9.065 -5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.437 10.568 -7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.183 10.256 -8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.384 7.897 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.385 9.053 -9.873 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.045 5.921 -6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.819 7.079 -10.166 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.157 5.513 -8.296 1.00 0.00 H new ATOM 146 N SER A 19 3.923 9.032 -8.703 1.00 0.00 N ATOM 147 CA SER A 19 4.744 8.188 -9.564 1.00 0.00 C ATOM 148 C SER A 19 5.651 7.285 -8.734 1.00 0.00 C ATOM 149 O SER A 19 5.788 6.095 -9.016 1.00 0.00 O ATOM 150 CB SER A 19 5.588 9.051 -10.505 1.00 0.00 C ATOM 151 OG SER A 19 4.778 9.972 -11.214 1.00 0.00 O ATOM 0 H SER A 19 4.033 10.033 -8.865 1.00 0.00 H new ATOM 0 HA SER A 19 4.079 7.560 -10.157 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.341 9.591 -9.931 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.121 8.413 -11.210 1.00 0.00 H new ATOM 0 HG SER A 19 5.340 10.513 -11.807 1.00 0.00 H new ATOM 157 N ASP A 20 6.269 7.861 -7.708 1.00 0.00 N ATOM 158 CA ASP A 20 7.163 7.110 -6.834 1.00 0.00 C ATOM 159 C ASP A 20 6.413 5.986 -6.126 1.00 0.00 C ATOM 160 O ASP A 20 6.903 4.860 -6.035 1.00 0.00 O ATOM 161 CB ASP A 20 7.805 8.040 -5.804 1.00 0.00 C ATOM 162 CG ASP A 20 8.949 8.846 -6.385 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.270 8.648 -7.575 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.524 9.676 -5.649 1.00 0.00 O ATOM 0 H ASP A 20 6.167 8.845 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 20 7.946 6.668 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.049 8.719 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.170 7.450 -4.964 1.00 0.00 H new ATOM 169 N VAL A 21 5.222 6.300 -5.625 1.00 0.00 N ATOM 170 CA VAL A 21 4.405 5.316 -4.925 1.00 0.00 C ATOM 171 C VAL A 21 3.941 4.214 -5.871 1.00 0.00 C ATOM 172 O VAL A 21 3.711 3.078 -5.453 1.00 0.00 O ATOM 173 CB VAL A 21 3.172 5.972 -4.276 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.394 4.953 -3.458 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.590 7.154 -3.413 1.00 0.00 C ATOM 0 H VAL A 21 4.802 7.227 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 21 5.030 4.882 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 21 2.520 6.342 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.526 5.435 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.063 4.142 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.035 4.551 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.706 7.606 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.263 6.811 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.100 7.893 -4.031 1.00 0.00 H new ATOM 185 N LYS A 22 3.806 4.555 -7.148 1.00 0.00 N ATOM 186 CA LYS A 22 3.372 3.594 -8.156 1.00 0.00 C ATOM 187 C LYS A 22 4.436 2.525 -8.382 1.00 0.00 C ATOM 188 O LYS A 22 4.119 1.367 -8.657 1.00 0.00 O ATOM 189 CB LYS A 22 3.065 4.310 -9.473 1.00 0.00 C ATOM 190 CG LYS A 22 2.910 3.369 -10.654 1.00 0.00 C ATOM 191 CD LYS A 22 1.659 3.682 -11.457 1.00 0.00 C ATOM 192 CE LYS A 22 1.788 5.002 -12.200 1.00 0.00 C ATOM 193 NZ LYS A 22 0.746 5.151 -13.253 1.00 0.00 N ATOM 0 H LYS A 22 3.991 5.490 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 22 2.466 3.108 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.149 4.889 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.865 5.019 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.786 3.446 -11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.866 2.340 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.473 2.879 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.798 3.722 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.709 5.827 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.776 5.067 -12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.869 6.064 -13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.837 4.379 -13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.197 5.115 -12.816 1.00 0.00 H new ATOM 207 N THR A 23 5.700 2.920 -8.264 1.00 0.00 N ATOM 208 CA THR A 23 6.811 1.995 -8.456 1.00 0.00 C ATOM 209 C THR A 23 6.947 1.047 -7.270 1.00 0.00 C ATOM 210 O THR A 23 6.875 -0.173 -7.426 1.00 0.00 O ATOM 211 CB THR A 23 8.140 2.748 -8.652 1.00 0.00 C ATOM 212 OG1 THR A 23 8.062 3.586 -9.811 1.00 0.00 O ATOM 213 CG2 THR A 23 9.297 1.771 -8.803 1.00 0.00 C ATOM 0 H THR A 23 5.980 3.874 -8.036 1.00 0.00 H new ATOM 0 HA THR A 23 6.592 1.419 -9.355 1.00 0.00 H new ATOM 0 HB THR A 23 8.317 3.364 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.910 4.063 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.226 2.325 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.372 1.154 -7.907 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.124 1.133 -9.670 1.00 0.00 H new ATOM 221 N LEU A 24 7.144 1.614 -6.084 1.00 0.00 N ATOM 222 CA LEU A 24 7.290 0.818 -4.871 1.00 0.00 C ATOM 223 C LEU A 24 6.095 -0.113 -4.683 1.00 0.00 C ATOM 224 O LEU A 24 6.223 -1.197 -4.111 1.00 0.00 O ATOM 225 CB LEU A 24 7.436 1.731 -3.653 1.00 0.00 C ATOM 226 CG LEU A 24 6.133 2.177 -2.988 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.693 1.165 -1.943 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.298 3.554 -2.362 1.00 0.00 C ATOM 0 H LEU A 24 7.206 2.621 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 24 8.189 0.210 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.043 1.216 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.989 2.620 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 24 5.360 2.238 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.764 1.500 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.534 0.197 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.465 1.071 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.361 3.855 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.086 3.519 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.566 4.275 -3.134 1.00 0.00 H new ATOM 240 N LEU A 25 4.937 0.316 -5.169 1.00 0.00 N ATOM 241 CA LEU A 25 3.719 -0.479 -5.057 1.00 0.00 C ATOM 242 C LEU A 25 3.737 -1.644 -6.042 1.00 0.00 C ATOM 243 O LEU A 25 3.335 -2.759 -5.709 1.00 0.00 O ATOM 244 CB LEU A 25 2.490 0.396 -5.307 1.00 0.00 C ATOM 245 CG LEU A 25 1.976 1.190 -4.105 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.966 2.238 -4.550 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.360 0.257 -3.072 1.00 0.00 C ATOM 0 H LEU A 25 4.815 1.210 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 25 3.670 -0.883 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.725 1.098 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.683 -0.241 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 25 2.821 1.702 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.611 2.793 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.440 2.925 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.123 1.747 -5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.000 0.840 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.527 -0.283 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.112 -0.454 -2.730 1.00 0.00 H new ATOM 259 N LYS A 26 4.205 -1.377 -7.256 1.00 0.00 N ATOM 260 CA LYS A 26 4.279 -2.403 -8.290 1.00 0.00 C ATOM 261 C LYS A 26 5.396 -3.398 -7.991 1.00 0.00 C ATOM 262 O LYS A 26 5.164 -4.606 -7.935 1.00 0.00 O ATOM 263 CB LYS A 26 4.509 -1.760 -9.660 1.00 0.00 C ATOM 264 CG LYS A 26 4.375 -2.733 -10.818 1.00 0.00 C ATOM 265 CD LYS A 26 3.093 -2.498 -11.600 1.00 0.00 C ATOM 266 CE LYS A 26 3.107 -3.234 -12.931 1.00 0.00 C ATOM 267 NZ LYS A 26 1.749 -3.311 -13.536 1.00 0.00 N ATOM 0 H LYS A 26 4.539 -0.459 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 26 3.331 -2.940 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.796 -0.947 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.505 -1.317 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.232 -2.628 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.389 -3.755 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.239 -2.830 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.963 -1.430 -11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.783 -2.727 -13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.497 -4.241 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.834 -3.433 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.235 -4.120 -13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.228 -2.434 -13.333 1.00 0.00 H new ATOM 281 N GLU A 27 6.605 -2.883 -7.798 1.00 0.00 N ATOM 282 CA GLU A 27 7.756 -3.728 -7.503 1.00 0.00 C ATOM 283 C GLU A 27 7.487 -4.612 -6.290 1.00 0.00 C ATOM 284 O GLU A 27 7.848 -5.788 -6.272 1.00 0.00 O ATOM 285 CB GLU A 27 8.998 -2.868 -7.256 1.00 0.00 C ATOM 286 CG GLU A 27 8.938 -2.070 -5.964 1.00 0.00 C ATOM 287 CD GLU A 27 10.101 -1.107 -5.819 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.719 -0.766 -6.848 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.391 -0.696 -4.676 1.00 0.00 O ATOM 0 H GLU A 27 6.813 -1.885 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 27 7.933 -4.370 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.877 -3.512 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.126 -2.181 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.002 -1.512 -5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.932 -2.756 -5.117 1.00 0.00 H new ATOM 296 N TRP A 28 6.850 -4.036 -5.276 1.00 0.00 N ATOM 297 CA TRP A 28 6.530 -4.771 -4.058 1.00 0.00 C ATOM 298 C TRP A 28 5.611 -5.950 -4.357 1.00 0.00 C ATOM 299 O TRP A 28 5.476 -6.865 -3.545 1.00 0.00 O ATOM 300 CB TRP A 28 5.874 -3.843 -3.035 1.00 0.00 C ATOM 301 CG TRP A 28 5.311 -4.568 -1.850 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.992 -5.371 -0.980 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.949 -4.558 -1.407 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.136 -5.860 -0.023 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.877 -5.376 -0.262 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.784 -3.936 -1.864 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.687 -5.587 0.428 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.603 -4.147 -1.179 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.562 -4.966 -0.042 1.00 0.00 C ATOM 0 H TRP A 28 6.545 -3.063 -5.274 1.00 0.00 H new ATOM 0 HA TRP A 28 7.461 -5.158 -3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.609 -3.116 -2.691 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.076 -3.283 -3.522 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.048 -5.589 -1.036 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.396 -6.483 0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.807 -3.301 -2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.653 -6.219 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.696 -3.673 -1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.624 -5.110 0.473 1.00 0.00 H new ATOM 320 N ILE A 29 4.982 -5.921 -5.527 1.00 0.00 N ATOM 321 CA ILE A 29 4.077 -6.989 -5.933 1.00 0.00 C ATOM 322 C ILE A 29 4.775 -7.979 -6.860 1.00 0.00 C ATOM 323 O ILE A 29 4.411 -9.154 -6.918 1.00 0.00 O ATOM 324 CB ILE A 29 2.830 -6.430 -6.644 1.00 0.00 C ATOM 325 CG1 ILE A 29 2.033 -5.533 -5.693 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.960 -7.566 -7.160 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.025 -4.653 -6.397 1.00 0.00 C ATOM 0 H ILE A 29 5.082 -5.170 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 29 3.767 -7.503 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 29 3.154 -5.831 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.513 -6.158 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.725 -4.903 -5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.083 -7.155 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.530 -8.169 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.642 -8.189 -6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.497 -4.045 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.541 -4.002 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.310 -5.276 -6.933 1.00 0.00 H new ATOM 339 N THR A 30 5.781 -7.497 -7.581 1.00 0.00 N ATOM 340 CA THR A 30 6.532 -8.339 -8.504 1.00 0.00 C ATOM 341 C THR A 30 7.766 -8.929 -7.831 1.00 0.00 C ATOM 342 O THR A 30 7.882 -10.146 -7.682 1.00 0.00 O ATOM 343 CB THR A 30 6.969 -7.551 -9.754 1.00 0.00 C ATOM 344 OG1 THR A 30 7.715 -6.393 -9.366 1.00 0.00 O ATOM 345 CG2 THR A 30 5.762 -7.131 -10.579 1.00 0.00 C ATOM 0 H THR A 30 6.095 -6.527 -7.544 1.00 0.00 H new ATOM 0 HA THR A 30 5.867 -9.147 -8.807 1.00 0.00 H new ATOM 0 HB THR A 30 7.597 -8.200 -10.364 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.991 -5.898 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.096 -6.576 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.213 -8.017 -10.897 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.111 -6.498 -9.976 1.00 0.00 H new ATOM 353 N THR A 31 8.686 -8.060 -7.426 1.00 0.00 N ATOM 354 CA THR A 31 9.912 -8.495 -6.770 1.00 0.00 C ATOM 355 C THR A 31 9.609 -9.432 -5.606 1.00 0.00 C ATOM 356 O THR A 31 10.426 -10.284 -5.254 1.00 0.00 O ATOM 357 CB THR A 31 10.726 -7.296 -6.249 1.00 0.00 C ATOM 358 OG1 THR A 31 12.096 -7.674 -6.071 1.00 0.00 O ATOM 359 CG2 THR A 31 10.160 -6.786 -4.932 1.00 0.00 C ATOM 0 H THR A 31 8.605 -7.050 -7.541 1.00 0.00 H new ATOM 0 HA THR A 31 10.500 -9.026 -7.518 1.00 0.00 H new ATOM 0 HB THR A 31 10.663 -6.496 -6.986 1.00 0.00 H new ATOM 0 HG1 THR A 31 12.607 -6.906 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.752 -5.939 -4.585 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.127 -6.471 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.195 -7.582 -4.188 1.00 0.00 H new ATOM 367 N ILE A 32 8.431 -9.271 -5.014 1.00 0.00 N ATOM 368 CA ILE A 32 8.021 -10.104 -3.890 1.00 0.00 C ATOM 369 C ILE A 32 7.006 -11.154 -4.327 1.00 0.00 C ATOM 370 O ILE A 32 6.182 -10.908 -5.208 1.00 0.00 O ATOM 371 CB ILE A 32 7.413 -9.260 -2.755 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.394 -8.171 -2.318 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.039 -10.147 -1.577 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.782 -8.692 -2.018 1.00 0.00 C ATOM 0 H ILE A 32 7.743 -8.571 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 32 8.919 -10.600 -3.521 1.00 0.00 H new ATOM 0 HB ILE A 32 6.507 -8.780 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.460 -7.417 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.001 -7.675 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.611 -9.536 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.308 -10.889 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.930 -10.653 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.423 -7.865 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.729 -9.425 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.195 -9.163 -2.910 1.00 0.00 H new ATOM 386 N SER A 33 7.070 -12.327 -3.704 1.00 0.00 N ATOM 387 CA SER A 33 6.158 -13.417 -4.030 1.00 0.00 C ATOM 388 C SER A 33 5.472 -13.945 -2.774 1.00 0.00 C ATOM 389 O SER A 33 6.078 -14.661 -1.977 1.00 0.00 O ATOM 390 CB SER A 33 6.911 -14.551 -4.729 1.00 0.00 C ATOM 391 OG SER A 33 7.989 -15.012 -3.933 1.00 0.00 O ATOM 0 H SER A 33 7.744 -12.546 -2.971 1.00 0.00 H new ATOM 0 HA SER A 33 5.395 -13.029 -4.704 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.227 -15.375 -4.933 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.287 -14.203 -5.691 1.00 0.00 H new ATOM 0 HG SER A 33 7.700 -15.080 -2.999 1.00 0.00 H new ATOM 397 N ASP A 34 4.204 -13.587 -2.605 1.00 0.00 N ATOM 398 CA ASP A 34 3.434 -14.025 -1.447 1.00 0.00 C ATOM 399 C ASP A 34 4.009 -13.443 -0.159 1.00 0.00 C ATOM 400 O ASP A 34 4.658 -14.133 0.627 1.00 0.00 O ATOM 401 CB ASP A 34 3.416 -15.552 -1.367 1.00 0.00 C ATOM 402 CG ASP A 34 3.100 -16.198 -2.702 1.00 0.00 C ATOM 403 OD1 ASP A 34 1.914 -16.207 -3.092 1.00 0.00 O ATOM 404 OD2 ASP A 34 4.041 -16.693 -3.358 1.00 0.00 O ATOM 0 H ASP A 34 3.688 -12.995 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 34 2.413 -13.663 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.385 -15.906 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.676 -15.866 -0.631 1.00 0.00 H new ATOM 409 N PRO A 35 3.769 -12.142 0.061 1.00 0.00 N ATOM 410 CA PRO A 35 4.255 -11.438 1.252 1.00 0.00 C ATOM 411 C PRO A 35 3.540 -11.886 2.523 1.00 0.00 C ATOM 412 O PRO A 35 2.563 -12.631 2.466 1.00 0.00 O ATOM 413 CB PRO A 35 3.939 -9.971 0.950 1.00 0.00 C ATOM 414 CG PRO A 35 2.798 -10.018 -0.008 1.00 0.00 C ATOM 415 CD PRO A 35 3.003 -11.258 -0.834 1.00 0.00 C ATOM 0 HA PRO A 35 5.312 -11.632 1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.672 -9.429 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.800 -9.462 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.846 -10.054 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.780 -9.128 -0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.054 -11.707 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.550 -11.043 -1.752 1.00 0.00 H new ATOM 423 N MET A 36 4.036 -11.429 3.667 1.00 0.00 N ATOM 424 CA MET A 36 3.444 -11.782 4.952 1.00 0.00 C ATOM 425 C MET A 36 2.540 -10.663 5.460 1.00 0.00 C ATOM 426 O MET A 36 2.531 -9.562 4.910 1.00 0.00 O ATOM 427 CB MET A 36 4.538 -12.075 5.979 1.00 0.00 C ATOM 428 CG MET A 36 5.122 -13.474 5.863 1.00 0.00 C ATOM 429 SD MET A 36 6.180 -13.903 7.259 1.00 0.00 S ATOM 430 CE MET A 36 7.373 -14.975 6.462 1.00 0.00 C ATOM 0 H MET A 36 4.847 -10.813 3.731 1.00 0.00 H new ATOM 0 HA MET A 36 2.839 -12.678 4.811 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.339 -11.345 5.863 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.129 -11.943 6.981 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.310 -14.198 5.792 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.697 -13.548 4.940 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.098 -15.324 7.198 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.858 -15.831 6.026 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.890 -14.424 5.677 1.00 0.00 H new ATOM 440 N GLU A 37 1.782 -10.952 6.512 1.00 0.00 N ATOM 441 CA GLU A 37 0.874 -9.969 7.093 1.00 0.00 C ATOM 442 C GLU A 37 1.603 -8.660 7.382 1.00 0.00 C ATOM 443 O GLU A 37 1.024 -7.580 7.271 1.00 0.00 O ATOM 444 CB GLU A 37 0.252 -10.515 8.381 1.00 0.00 C ATOM 445 CG GLU A 37 1.271 -10.830 9.463 1.00 0.00 C ATOM 446 CD GLU A 37 0.632 -11.384 10.722 1.00 0.00 C ATOM 447 OE1 GLU A 37 -0.279 -10.726 11.264 1.00 0.00 O ATOM 448 OE2 GLU A 37 1.045 -12.477 11.163 1.00 0.00 O ATOM 0 H GLU A 37 1.778 -11.858 6.980 1.00 0.00 H new ATOM 0 HA GLU A 37 0.082 -9.772 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.462 -9.787 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.310 -11.420 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.993 -11.551 9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.825 -9.925 9.710 1.00 0.00 H new ATOM 455 N GLU A 38 2.875 -8.767 7.754 1.00 0.00 N ATOM 456 CA GLU A 38 3.682 -7.591 8.060 1.00 0.00 C ATOM 457 C GLU A 38 3.725 -6.636 6.870 1.00 0.00 C ATOM 458 O GLU A 38 3.566 -5.425 7.027 1.00 0.00 O ATOM 459 CB GLU A 38 5.102 -8.007 8.445 1.00 0.00 C ATOM 460 CG GLU A 38 5.781 -8.890 7.412 1.00 0.00 C ATOM 461 CD GLU A 38 7.038 -9.550 7.943 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.124 -8.947 7.816 1.00 0.00 O ATOM 463 OE2 GLU A 38 6.935 -10.670 8.485 1.00 0.00 O ATOM 0 H GLU A 38 3.368 -9.655 7.851 1.00 0.00 H new ATOM 0 HA GLU A 38 3.221 -7.074 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.705 -7.112 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.071 -8.536 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.083 -9.659 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.032 -8.291 6.537 1.00 0.00 H new ATOM 470 N ASP A 39 3.941 -7.190 5.682 1.00 0.00 N ATOM 471 CA ASP A 39 4.005 -6.388 4.466 1.00 0.00 C ATOM 472 C ASP A 39 2.736 -5.559 4.294 1.00 0.00 C ATOM 473 O ASP A 39 2.784 -4.426 3.814 1.00 0.00 O ATOM 474 CB ASP A 39 4.210 -7.289 3.247 1.00 0.00 C ATOM 475 CG ASP A 39 5.473 -8.121 3.346 1.00 0.00 C ATOM 476 OD1 ASP A 39 5.476 -9.106 4.116 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.458 -7.788 2.655 1.00 0.00 O ATOM 0 H ASP A 39 4.075 -8.191 5.535 1.00 0.00 H new ATOM 0 HA ASP A 39 4.852 -5.708 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.350 -7.951 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.253 -6.674 2.348 1.00 0.00 H new ATOM 482 N ILE A 40 1.603 -6.131 4.687 1.00 0.00 N ATOM 483 CA ILE A 40 0.322 -5.445 4.576 1.00 0.00 C ATOM 484 C ILE A 40 0.205 -4.330 5.609 1.00 0.00 C ATOM 485 O ILE A 40 -0.448 -3.313 5.370 1.00 0.00 O ATOM 486 CB ILE A 40 -0.856 -6.420 4.755 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.873 -7.447 3.620 1.00 0.00 C ATOM 488 CG2 ILE A 40 -2.171 -5.657 4.805 1.00 0.00 C ATOM 489 CD1 ILE A 40 -0.130 -8.723 3.950 1.00 0.00 C ATOM 0 H ILE A 40 1.546 -7.068 5.085 1.00 0.00 H new ATOM 0 HA ILE A 40 0.279 -5.016 3.575 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.730 -6.951 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.907 -7.691 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.433 -6.999 2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.995 -6.360 4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.156 -4.960 5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.306 -5.104 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.183 -9.405 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.913 -8.491 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.584 -9.193 4.822 1.00 0.00 H new ATOM 501 N LEU A 41 0.845 -4.525 6.757 1.00 0.00 N ATOM 502 CA LEU A 41 0.815 -3.534 7.828 1.00 0.00 C ATOM 503 C LEU A 41 1.624 -2.297 7.448 1.00 0.00 C ATOM 504 O LEU A 41 1.330 -1.191 7.899 1.00 0.00 O ATOM 505 CB LEU A 41 1.361 -4.137 9.124 1.00 0.00 C ATOM 506 CG LEU A 41 0.586 -5.329 9.687 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.367 -5.988 10.815 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.788 -4.891 10.172 1.00 0.00 C ATOM 0 H LEU A 41 1.391 -5.360 6.970 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.221 -3.234 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.391 -4.448 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.387 -3.355 9.883 1.00 0.00 H new ATOM 0 HG LEU A 41 0.451 -6.060 8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.801 -6.834 11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.328 -6.337 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.533 -5.265 11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.325 -5.752 10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.675 -4.141 10.955 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.349 -4.466 9.340 1.00 0.00 H new ATOM 520 N GLN A 42 2.642 -2.496 6.617 1.00 0.00 N ATOM 521 CA GLN A 42 3.492 -1.395 6.177 1.00 0.00 C ATOM 522 C GLN A 42 2.772 -0.528 5.149 1.00 0.00 C ATOM 523 O GLN A 42 2.780 0.699 5.243 1.00 0.00 O ATOM 524 CB GLN A 42 4.794 -1.936 5.582 1.00 0.00 C ATOM 525 CG GLN A 42 5.536 -2.887 6.507 1.00 0.00 C ATOM 526 CD GLN A 42 7.038 -2.679 6.476 1.00 0.00 C ATOM 527 OE1 GLN A 42 7.800 -3.614 6.231 1.00 0.00 O ATOM 528 NE2 GLN A 42 7.470 -1.448 6.724 1.00 0.00 N ATOM 0 H GLN A 42 2.898 -3.407 6.236 1.00 0.00 H new ATOM 0 HA GLN A 42 3.725 -0.779 7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.570 -2.451 4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.447 -1.099 5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.175 -2.751 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.309 -3.915 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.802 -0.703 6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.470 -1.247 6.716 1.00 0.00 H new ATOM 537 N VAL A 43 2.149 -1.175 4.169 1.00 0.00 N ATOM 538 CA VAL A 43 1.424 -0.463 3.124 1.00 0.00 C ATOM 539 C VAL A 43 0.231 0.292 3.700 1.00 0.00 C ATOM 540 O VAL A 43 -0.108 1.383 3.241 1.00 0.00 O ATOM 541 CB VAL A 43 0.927 -1.426 2.030 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.101 -2.012 1.260 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.074 -2.529 2.638 1.00 0.00 C ATOM 0 H VAL A 43 2.132 -2.191 4.077 1.00 0.00 H new ATOM 0 HA VAL A 43 2.122 0.248 2.682 1.00 0.00 H new ATOM 0 HB VAL A 43 0.309 -0.864 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.730 -2.690 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.667 -1.207 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.748 -2.560 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.269 -3.200 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.666 -3.090 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.788 -2.088 3.139 1.00 0.00 H new ATOM 553 N VAL A 44 -0.402 -0.295 4.711 1.00 0.00 N ATOM 554 CA VAL A 44 -1.557 0.322 5.352 1.00 0.00 C ATOM 555 C VAL A 44 -1.139 1.517 6.203 1.00 0.00 C ATOM 556 O VAL A 44 -1.868 2.504 6.306 1.00 0.00 O ATOM 557 CB VAL A 44 -2.313 -0.685 6.239 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.402 0.016 7.035 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.898 -1.805 5.391 1.00 0.00 C ATOM 0 H VAL A 44 -0.134 -1.197 5.104 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.218 0.660 4.554 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.607 -1.124 6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.925 -0.712 7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.954 0.779 7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.109 0.484 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.429 -2.508 6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.591 -1.385 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.094 -2.325 4.870 1.00 0.00 H new ATOM 569 N ARG A 45 0.038 1.420 6.810 1.00 0.00 N ATOM 570 CA ARG A 45 0.553 2.493 7.653 1.00 0.00 C ATOM 571 C ARG A 45 0.743 3.774 6.847 1.00 0.00 C ATOM 572 O ARG A 45 0.621 4.878 7.379 1.00 0.00 O ATOM 573 CB ARG A 45 1.881 2.077 8.290 1.00 0.00 C ATOM 574 CG ARG A 45 1.724 1.419 9.651 1.00 0.00 C ATOM 575 CD ARG A 45 1.261 2.415 10.702 1.00 0.00 C ATOM 576 NE ARG A 45 0.609 1.758 11.831 1.00 0.00 N ATOM 577 CZ ARG A 45 0.187 2.402 12.913 1.00 0.00 C ATOM 578 NH1 ARG A 45 0.346 3.714 13.012 1.00 0.00 N ATOM 579 NH2 ARG A 45 -0.397 1.732 13.899 1.00 0.00 N ATOM 0 H ARG A 45 0.653 0.610 6.734 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.176 2.684 8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.396 1.388 7.620 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.516 2.957 8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.005 0.602 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.675 0.982 9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.117 2.987 11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.570 3.126 10.248 1.00 0.00 H new ATOM 0 HE ARG A 45 0.470 0.749 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.794 4.232 12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.021 4.206 13.844 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.522 0.722 13.826 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.721 2.227 14.730 1.00 0.00 H new ATOM 593 N TYR A 46 1.043 3.620 5.563 1.00 0.00 N ATOM 594 CA TYR A 46 1.253 4.764 4.683 1.00 0.00 C ATOM 595 C TYR A 46 -0.071 5.449 4.356 1.00 0.00 C ATOM 596 O TYR A 46 -0.172 6.676 4.392 1.00 0.00 O ATOM 597 CB TYR A 46 1.944 4.322 3.392 1.00 0.00 C ATOM 598 CG TYR A 46 1.958 5.386 2.318 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.601 6.600 2.523 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.328 5.177 1.098 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.615 7.576 1.545 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.338 6.146 0.112 1.00 0.00 C ATOM 603 CZ TYR A 46 1.983 7.344 0.341 1.00 0.00 C ATOM 604 OH TYR A 46 1.996 8.312 -0.637 1.00 0.00 O ATOM 0 H TYR A 46 1.146 2.713 5.107 1.00 0.00 H new ATOM 0 HA TYR A 46 1.892 5.477 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.970 4.034 3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.442 3.435 3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.099 6.784 3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.821 4.241 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.118 8.515 1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.844 5.966 -0.831 1.00 0.00 H new ATOM 0 HH TYR A 46 2.816 8.843 -0.561 1.00 0.00 H new ATOM 614 N CYS A 47 -1.081 4.649 4.038 1.00 0.00 N ATOM 615 CA CYS A 47 -2.400 5.176 3.704 1.00 0.00 C ATOM 616 C CYS A 47 -3.022 5.881 4.905 1.00 0.00 C ATOM 617 O CYS A 47 -3.425 7.041 4.818 1.00 0.00 O ATOM 618 CB CYS A 47 -3.316 4.049 3.226 1.00 0.00 C ATOM 619 SG CYS A 47 -2.599 3.013 1.929 1.00 0.00 S ATOM 0 H CYS A 47 -1.013 3.632 4.004 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.282 5.903 2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.574 3.419 4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.245 4.483 2.857 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.595 2.344 2.413 1.00 0.00 H new ATOM 625 N THR A 48 -3.102 5.171 6.026 1.00 0.00 N ATOM 626 CA THR A 48 -3.679 5.727 7.243 1.00 0.00 C ATOM 627 C THR A 48 -2.946 6.993 7.671 1.00 0.00 C ATOM 628 O THR A 48 -3.518 7.860 8.333 1.00 0.00 O ATOM 629 CB THR A 48 -3.639 4.709 8.399 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.346 3.520 8.029 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.254 5.298 9.660 1.00 0.00 C ATOM 0 H THR A 48 -2.774 4.209 6.116 1.00 0.00 H new ATOM 0 HA THR A 48 -4.717 5.970 7.018 1.00 0.00 H new ATOM 0 HB THR A 48 -2.597 4.464 8.602 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.780 2.970 7.448 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.215 4.561 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.697 6.187 9.956 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.292 5.568 9.466 1.00 0.00 H new ATOM 639 N ASP A 49 -1.677 7.094 7.289 1.00 0.00 N ATOM 640 CA ASP A 49 -0.866 8.257 7.632 1.00 0.00 C ATOM 641 C ASP A 49 -1.196 9.437 6.723 1.00 0.00 C ATOM 642 O ASP A 49 -1.003 10.594 7.097 1.00 0.00 O ATOM 643 CB ASP A 49 0.622 7.916 7.526 1.00 0.00 C ATOM 644 CG ASP A 49 1.207 7.463 8.848 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.785 7.993 9.896 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.089 6.578 8.834 1.00 0.00 O ATOM 0 H ASP A 49 -1.188 6.385 6.742 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.095 8.539 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.760 7.131 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.168 8.790 7.171 1.00 0.00 H new ATOM 651 N LEU A 50 -1.695 9.136 5.530 1.00 0.00 N ATOM 652 CA LEU A 50 -2.053 10.172 4.567 1.00 0.00 C ATOM 653 C LEU A 50 -3.325 10.897 4.994 1.00 0.00 C ATOM 654 O LEU A 50 -3.408 12.123 4.918 1.00 0.00 O ATOM 655 CB LEU A 50 -2.241 9.562 3.177 1.00 0.00 C ATOM 656 CG LEU A 50 -0.961 9.175 2.435 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.289 8.354 1.198 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.167 10.417 2.058 1.00 0.00 C ATOM 0 H LEU A 50 -1.861 8.183 5.206 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.239 10.896 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.864 8.673 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.793 10.273 2.562 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.349 8.565 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.366 8.088 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.815 7.446 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.921 8.939 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.740 10.123 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.772 11.053 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.100 10.966 2.961 1.00 0.00 H new ATOM 670 N ILE A 51 -4.313 10.131 5.444 1.00 0.00 N ATOM 671 CA ILE A 51 -5.580 10.700 5.886 1.00 0.00 C ATOM 672 C ILE A 51 -5.382 11.613 7.091 1.00 0.00 C ATOM 673 O ILE A 51 -6.183 12.515 7.336 1.00 0.00 O ATOM 674 CB ILE A 51 -6.595 9.601 6.250 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.859 8.699 5.041 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.892 10.220 6.747 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.982 7.234 5.397 1.00 0.00 C ATOM 0 H ILE A 51 -4.260 9.115 5.512 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.972 11.283 5.052 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.176 8.992 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.776 9.023 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.050 8.823 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.599 9.430 7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.691 10.824 7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.317 10.850 5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.168 6.654 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.057 6.894 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.810 7.097 6.093 1.00 0.00 H new ATOM 689 N GLU A 52 -4.309 11.373 7.838 1.00 0.00 N ATOM 690 CA GLU A 52 -4.006 12.175 9.018 1.00 0.00 C ATOM 691 C GLU A 52 -3.515 13.563 8.620 1.00 0.00 C ATOM 692 O GLU A 52 -3.646 14.521 9.382 1.00 0.00 O ATOM 693 CB GLU A 52 -2.951 11.476 9.879 1.00 0.00 C ATOM 694 CG GLU A 52 -3.485 10.271 10.635 1.00 0.00 C ATOM 695 CD GLU A 52 -4.697 10.603 11.483 1.00 0.00 C ATOM 696 OE1 GLU A 52 -4.538 11.341 12.478 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.802 10.125 11.153 1.00 0.00 O ATOM 0 H GLU A 52 -3.636 10.631 7.648 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.923 12.285 9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.126 11.158 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.544 12.192 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.748 9.488 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.698 9.870 11.274 1.00 0.00 H new ATOM 704 N GLU A 53 -2.948 13.664 7.421 1.00 0.00 N ATOM 705 CA GLU A 53 -2.435 14.934 6.922 1.00 0.00 C ATOM 706 C GLU A 53 -3.292 15.453 5.772 1.00 0.00 C ATOM 707 O GLU A 53 -2.904 16.380 5.061 1.00 0.00 O ATOM 708 CB GLU A 53 -0.984 14.779 6.463 1.00 0.00 C ATOM 709 CG GLU A 53 -0.755 13.572 5.568 1.00 0.00 C ATOM 710 CD GLU A 53 0.672 13.484 5.063 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.427 14.462 5.241 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.033 12.435 4.488 1.00 0.00 O ATOM 0 H GLU A 53 -2.833 12.881 6.778 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.475 15.657 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.683 15.680 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.341 14.698 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.998 12.664 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.435 13.620 4.718 1.00 0.00 H new ATOM 719 N LYS A 54 -4.462 14.848 5.594 1.00 0.00 N ATOM 720 CA LYS A 54 -5.377 15.247 4.531 1.00 0.00 C ATOM 721 C LYS A 54 -4.760 14.994 3.159 1.00 0.00 C ATOM 722 O LYS A 54 -5.235 15.515 2.149 1.00 0.00 O ATOM 723 CB LYS A 54 -5.742 16.727 4.672 1.00 0.00 C ATOM 724 CG LYS A 54 -6.086 17.135 6.095 1.00 0.00 C ATOM 725 CD LYS A 54 -7.357 17.965 6.145 1.00 0.00 C ATOM 726 CE LYS A 54 -7.081 19.427 5.828 1.00 0.00 C ATOM 727 NZ LYS A 54 -7.844 20.342 6.720 1.00 0.00 N ATOM 0 H LYS A 54 -4.799 14.079 6.173 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.282 14.646 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.907 17.334 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.591 16.947 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.208 16.244 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.261 17.706 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.081 17.568 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.806 17.885 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.014 19.626 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.344 19.629 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.628 21.329 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.863 20.171 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.575 20.167 7.709 1.00 0.00 H new ATOM 741 N ASP A 55 -3.701 14.192 3.130 1.00 0.00 N ATOM 742 CA ASP A 55 -3.021 13.869 1.882 1.00 0.00 C ATOM 743 C ASP A 55 -3.517 12.538 1.322 1.00 0.00 C ATOM 744 O ASP A 55 -2.770 11.813 0.665 1.00 0.00 O ATOM 745 CB ASP A 55 -1.509 13.812 2.100 1.00 0.00 C ATOM 746 CG ASP A 55 -0.948 15.127 2.608 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.726 16.094 2.735 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.269 15.186 2.879 1.00 0.00 O ATOM 0 H ASP A 55 -3.295 13.754 3.957 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.247 14.654 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.277 13.021 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.019 13.549 1.162 1.00 0.00 H new ATOM 753 N LEU A 56 -4.780 12.224 1.588 1.00 0.00 N ATOM 754 CA LEU A 56 -5.375 10.980 1.112 1.00 0.00 C ATOM 755 C LEU A 56 -5.764 11.091 -0.358 1.00 0.00 C ATOM 756 O LEU A 56 -6.230 10.124 -0.961 1.00 0.00 O ATOM 757 CB LEU A 56 -6.603 10.626 1.952 1.00 0.00 C ATOM 758 CG LEU A 56 -7.492 11.798 2.369 1.00 0.00 C ATOM 759 CD1 LEU A 56 -7.869 12.639 1.160 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.739 11.296 3.082 1.00 0.00 C ATOM 0 H LEU A 56 -5.412 12.813 2.130 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.633 10.188 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.211 9.917 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.266 10.113 2.853 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.931 12.425 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.502 13.468 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.965 13.030 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.411 12.023 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.359 12.144 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.303 10.645 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.449 10.738 3.973 1.00 0.00 H new ATOM 772 N GLU A 57 -5.569 12.275 -0.930 1.00 0.00 N ATOM 773 CA GLU A 57 -5.901 12.511 -2.330 1.00 0.00 C ATOM 774 C GLU A 57 -5.257 11.456 -3.226 1.00 0.00 C ATOM 775 O GLU A 57 -5.926 10.828 -4.044 1.00 0.00 O ATOM 776 CB GLU A 57 -5.442 13.908 -2.758 1.00 0.00 C ATOM 777 CG GLU A 57 -6.402 15.014 -2.352 1.00 0.00 C ATOM 778 CD GLU A 57 -7.472 15.269 -3.396 1.00 0.00 C ATOM 779 OE1 GLU A 57 -7.470 14.568 -4.431 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.310 16.168 -3.179 1.00 0.00 O ATOM 0 H GLU A 57 -5.183 13.085 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.984 12.443 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.463 14.109 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.318 13.925 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.877 14.749 -1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.841 15.932 -2.180 1.00 0.00 H new ATOM 787 N LYS A 58 -3.951 11.269 -3.064 1.00 0.00 N ATOM 788 CA LYS A 58 -3.214 10.291 -3.856 1.00 0.00 C ATOM 789 C LYS A 58 -3.582 8.869 -3.444 1.00 0.00 C ATOM 790 O LYS A 58 -3.630 7.963 -4.277 1.00 0.00 O ATOM 791 CB LYS A 58 -1.708 10.506 -3.698 1.00 0.00 C ATOM 792 CG LYS A 58 -1.137 11.543 -4.649 1.00 0.00 C ATOM 793 CD LYS A 58 -1.250 12.947 -4.078 1.00 0.00 C ATOM 794 CE LYS A 58 -0.279 13.160 -2.928 1.00 0.00 C ATOM 795 NZ LYS A 58 -0.030 14.607 -2.675 1.00 0.00 N ATOM 0 H LYS A 58 -3.381 11.782 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.486 10.429 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.499 10.812 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.196 9.557 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.091 11.315 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.664 11.493 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.052 13.677 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.269 13.119 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.677 12.696 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.665 12.663 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.637 14.711 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.374 15.044 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.927 15.077 -2.436 1.00 0.00 H new ATOM 809 N LEU A 59 -3.841 8.680 -2.155 1.00 0.00 N ATOM 810 CA LEU A 59 -4.207 7.368 -1.632 1.00 0.00 C ATOM 811 C LEU A 59 -5.392 6.788 -2.397 1.00 0.00 C ATOM 812 O LEU A 59 -5.379 5.622 -2.791 1.00 0.00 O ATOM 813 CB LEU A 59 -4.544 7.466 -0.143 1.00 0.00 C ATOM 814 CG LEU A 59 -5.376 6.321 0.433 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.718 4.982 0.141 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.573 6.506 1.931 1.00 0.00 C ATOM 0 H LEU A 59 -3.804 9.419 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.354 6.702 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.611 7.528 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.080 8.400 0.027 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.355 6.332 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.325 4.179 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.630 4.847 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.726 4.958 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.168 5.682 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.602 6.522 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.090 7.447 2.116 1.00 0.00 H new ATOM 828 N ASP A 60 -6.414 7.610 -2.605 1.00 0.00 N ATOM 829 CA ASP A 60 -7.607 7.181 -3.325 1.00 0.00 C ATOM 830 C ASP A 60 -7.234 6.534 -4.656 1.00 0.00 C ATOM 831 O ASP A 60 -7.878 5.580 -5.096 1.00 0.00 O ATOM 832 CB ASP A 60 -8.540 8.369 -3.565 1.00 0.00 C ATOM 833 CG ASP A 60 -9.733 8.366 -2.629 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.526 8.480 -1.404 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.874 8.247 -3.123 1.00 0.00 O ATOM 0 H ASP A 60 -6.440 8.578 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.124 6.442 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.983 9.297 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.891 8.349 -4.597 1.00 0.00 H new ATOM 840 N LEU A 61 -6.193 7.059 -5.292 1.00 0.00 N ATOM 841 CA LEU A 61 -5.735 6.533 -6.573 1.00 0.00 C ATOM 842 C LEU A 61 -4.947 5.241 -6.382 1.00 0.00 C ATOM 843 O LEU A 61 -4.968 4.356 -7.237 1.00 0.00 O ATOM 844 CB LEU A 61 -4.871 7.570 -7.292 1.00 0.00 C ATOM 845 CG LEU A 61 -5.355 9.018 -7.215 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.289 9.966 -7.743 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.653 9.188 -7.989 1.00 0.00 C ATOM 0 H LEU A 61 -5.650 7.848 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.612 6.314 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.863 7.523 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.799 7.288 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.544 9.263 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.651 10.992 -7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.383 9.864 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.068 9.722 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.983 10.225 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.491 8.924 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.417 8.537 -7.565 1.00 0.00 H new ATOM 859 N VAL A 62 -4.255 5.139 -5.252 1.00 0.00 N ATOM 860 CA VAL A 62 -3.462 3.953 -4.945 1.00 0.00 C ATOM 861 C VAL A 62 -4.339 2.708 -4.880 1.00 0.00 C ATOM 862 O VAL A 62 -3.963 1.645 -5.374 1.00 0.00 O ATOM 863 CB VAL A 62 -2.711 4.110 -3.611 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.929 2.846 -3.286 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.790 5.320 -3.656 1.00 0.00 C ATOM 0 H VAL A 62 -4.227 5.863 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.736 3.840 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.443 4.269 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.405 2.976 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.616 2.003 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.206 2.652 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.267 5.415 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.063 5.194 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.379 6.219 -3.838 1.00 0.00 H new ATOM 875 N ILE A 63 -5.510 2.848 -4.268 1.00 0.00 N ATOM 876 CA ILE A 63 -6.442 1.734 -4.138 1.00 0.00 C ATOM 877 C ILE A 63 -6.805 1.160 -5.504 1.00 0.00 C ATOM 878 O ILE A 63 -7.048 -0.039 -5.642 1.00 0.00 O ATOM 879 CB ILE A 63 -7.732 2.160 -3.413 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.396 2.824 -2.077 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.641 0.958 -3.200 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.581 1.946 -1.153 1.00 0.00 C ATOM 0 H ILE A 63 -5.836 3.721 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.939 0.969 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.259 2.884 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.847 3.746 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.323 3.103 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.549 1.275 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.903 0.524 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.123 0.213 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.380 2.482 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.137 1.035 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.638 1.688 -1.634 1.00 0.00 H new ATOM 894 N LYS A 64 -6.840 2.025 -6.513 1.00 0.00 N ATOM 895 CA LYS A 64 -7.171 1.606 -7.869 1.00 0.00 C ATOM 896 C LYS A 64 -6.022 0.819 -8.491 1.00 0.00 C ATOM 897 O LYS A 64 -6.236 -0.034 -9.353 1.00 0.00 O ATOM 898 CB LYS A 64 -7.496 2.824 -8.736 1.00 0.00 C ATOM 899 CG LYS A 64 -8.564 3.727 -8.142 1.00 0.00 C ATOM 900 CD LYS A 64 -9.441 4.339 -9.221 1.00 0.00 C ATOM 901 CE LYS A 64 -10.638 3.454 -9.534 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.806 4.248 -10.008 1.00 0.00 N ATOM 0 H LYS A 64 -6.643 3.021 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.047 0.959 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.586 3.404 -8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.825 2.483 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.182 3.154 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.090 4.520 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.787 5.320 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.853 4.492 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.361 2.725 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.918 2.893 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.601 3.609 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.086 4.927 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.547 4.764 -10.873 1.00 0.00 H new ATOM 916 N TYR A 65 -4.803 1.109 -8.048 1.00 0.00 N ATOM 917 CA TYR A 65 -3.621 0.429 -8.562 1.00 0.00 C ATOM 918 C TYR A 65 -3.398 -0.897 -7.840 1.00 0.00 C ATOM 919 O TYR A 65 -2.958 -1.876 -8.441 1.00 0.00 O ATOM 920 CB TYR A 65 -2.387 1.321 -8.407 1.00 0.00 C ATOM 921 CG TYR A 65 -1.318 1.059 -9.443 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.626 1.040 -10.799 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.001 0.832 -9.068 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.653 0.801 -11.749 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.981 0.593 -10.012 1.00 0.00 C ATOM 926 CZ TYR A 65 0.649 0.578 -11.351 1.00 0.00 C ATOM 927 OH TYR A 65 1.623 0.341 -12.295 1.00 0.00 O ATOM 0 H TYR A 65 -4.608 1.811 -7.334 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.782 0.223 -9.620 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.693 2.365 -8.469 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.963 1.172 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.644 1.215 -11.114 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.264 0.843 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.910 0.789 -12.798 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.001 0.419 -9.703 1.00 0.00 H new ATOM 0 HH TYR A 65 2.485 0.669 -11.965 1.00 0.00 H new ATOM 937 N MET A 66 -3.707 -0.918 -6.547 1.00 0.00 N ATOM 938 CA MET A 66 -3.543 -2.123 -5.743 1.00 0.00 C ATOM 939 C MET A 66 -4.638 -3.138 -6.054 1.00 0.00 C ATOM 940 O MET A 66 -4.430 -4.346 -5.941 1.00 0.00 O ATOM 941 CB MET A 66 -3.562 -1.775 -4.253 1.00 0.00 C ATOM 942 CG MET A 66 -2.179 -1.562 -3.661 1.00 0.00 C ATOM 943 SD MET A 66 -2.197 -1.506 -1.858 1.00 0.00 S ATOM 944 CE MET A 66 -3.259 -0.091 -1.575 1.00 0.00 C ATOM 0 H MET A 66 -4.072 -0.115 -6.035 1.00 0.00 H new ATOM 0 HA MET A 66 -2.579 -2.567 -5.993 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.154 -0.871 -4.107 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.062 -2.575 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.520 -2.366 -3.989 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.763 -0.631 -4.046 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.674 0.723 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.694 0.232 -2.521 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.056 -0.367 -0.884 1.00 0.00 H new ATOM 954 N LYS A 67 -5.805 -2.640 -6.447 1.00 0.00 N ATOM 955 CA LYS A 67 -6.935 -3.503 -6.776 1.00 0.00 C ATOM 956 C LYS A 67 -6.765 -4.115 -8.163 1.00 0.00 C ATOM 957 O LYS A 67 -7.160 -5.257 -8.400 1.00 0.00 O ATOM 958 CB LYS A 67 -8.242 -2.711 -6.715 1.00 0.00 C ATOM 959 CG LYS A 67 -8.401 -1.708 -7.844 1.00 0.00 C ATOM 960 CD LYS A 67 -9.741 -0.995 -7.772 1.00 0.00 C ATOM 961 CE LYS A 67 -10.875 -1.890 -8.248 1.00 0.00 C ATOM 962 NZ LYS A 67 -12.016 -1.100 -8.789 1.00 0.00 N ATOM 0 H LYS A 67 -5.994 -1.643 -6.546 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.970 -4.309 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.080 -3.408 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.293 -2.184 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.595 -0.976 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.311 -2.220 -8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.932 -0.679 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.707 -0.093 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.505 -2.567 -9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.222 -2.508 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.892 -1.377 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.840 -0.087 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.113 -1.284 -9.808 1.00 0.00 H new ATOM 976 N ARG A 68 -6.172 -3.351 -9.075 1.00 0.00 N ATOM 977 CA ARG A 68 -5.950 -3.820 -10.437 1.00 0.00 C ATOM 978 C ARG A 68 -4.723 -4.725 -10.507 1.00 0.00 C ATOM 979 O ARG A 68 -4.592 -5.541 -11.420 1.00 0.00 O ATOM 980 CB ARG A 68 -5.776 -2.632 -11.385 1.00 0.00 C ATOM 981 CG ARG A 68 -4.429 -1.939 -11.252 1.00 0.00 C ATOM 982 CD ARG A 68 -4.304 -0.775 -12.223 1.00 0.00 C ATOM 983 NE ARG A 68 -5.212 0.319 -11.886 1.00 0.00 N ATOM 984 CZ ARG A 68 -5.161 1.518 -12.456 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.252 1.777 -13.385 1.00 0.00 N ATOM 986 NH2 ARG A 68 -6.022 2.461 -12.096 1.00 0.00 N ATOM 0 H ARG A 68 -5.837 -2.405 -8.895 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.823 -4.396 -10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.898 -2.976 -12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.568 -1.908 -11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.303 -1.578 -10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.629 -2.656 -11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.278 -0.408 -12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.515 -1.122 -13.234 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.924 0.153 -11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.588 1.055 -13.665 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.216 2.699 -13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.723 2.266 -11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.983 3.381 -12.534 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.827 -4.574 -9.539 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.610 -5.377 -9.490 1.00 0.00 C ATOM 1002 C LEU A 69 -2.869 -6.718 -8.811 1.00 0.00 C ATOM 1003 O LEU A 69 -2.612 -7.776 -9.385 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.506 -4.621 -8.749 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.619 -3.717 -9.606 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.092 -2.691 -8.738 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.389 -4.546 -10.388 1.00 0.00 C ATOM 0 H LEU A 69 -3.920 -3.903 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.288 -5.566 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.969 -4.012 -7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.870 -5.349 -8.246 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.252 -3.186 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.719 -2.056 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.646 -2.077 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.714 -3.204 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.012 -3.886 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.018 -5.104 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.140 -5.243 -11.039 1.00 0.00 H new ATOM 1019 N MET A 70 -3.382 -6.665 -7.586 1.00 0.00 N ATOM 1020 CA MET A 70 -3.679 -7.876 -6.829 1.00 0.00 C ATOM 1021 C MET A 70 -4.700 -8.739 -7.564 1.00 0.00 C ATOM 1022 O MET A 70 -4.750 -9.953 -7.373 1.00 0.00 O ATOM 1023 CB MET A 70 -4.204 -7.518 -5.438 1.00 0.00 C ATOM 1024 CG MET A 70 -3.109 -7.385 -4.392 1.00 0.00 C ATOM 1025 SD MET A 70 -2.106 -5.905 -4.618 1.00 0.00 S ATOM 1026 CE MET A 70 -1.820 -5.425 -2.917 1.00 0.00 C ATOM 0 H MET A 70 -3.601 -5.797 -7.097 1.00 0.00 H new ATOM 0 HA MET A 70 -2.755 -8.445 -6.725 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.755 -6.579 -5.497 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.911 -8.283 -5.117 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.560 -7.365 -3.400 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.466 -8.264 -4.432 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.829 -4.980 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.573 -4.698 -2.612 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.883 -6.304 -2.275 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.510 -8.104 -8.405 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.529 -8.814 -9.167 1.00 0.00 C ATOM 1038 C GLN A 71 -5.892 -9.776 -10.164 1.00 0.00 C ATOM 1039 O GLN A 71 -6.266 -10.946 -10.237 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.431 -7.821 -9.903 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.749 -7.556 -9.194 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.579 -6.491 -9.885 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -9.045 -5.624 -10.576 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.892 -6.552 -9.700 1.00 0.00 N ATOM 0 H GLN A 71 -5.480 -7.099 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.132 -9.392 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.897 -6.878 -10.024 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.636 -8.202 -10.903 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.322 -8.482 -9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.550 -7.247 -8.168 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.291 -7.289 -9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.502 -5.862 -10.139 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.928 -9.275 -10.929 1.00 0.00 N ATOM 1054 CA GLN A 72 -4.240 -10.090 -11.923 1.00 0.00 C ATOM 1055 C GLN A 72 -3.475 -11.230 -11.257 1.00 0.00 C ATOM 1056 O GLN A 72 -3.084 -12.194 -11.914 1.00 0.00 O ATOM 1057 CB GLN A 72 -3.280 -9.227 -12.746 1.00 0.00 C ATOM 1058 CG GLN A 72 -2.009 -8.852 -12.001 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.759 -9.372 -12.681 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.189 -10.383 -12.271 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -0.324 -8.681 -13.730 1.00 0.00 N ATOM 0 H GLN A 72 -4.606 -8.309 -10.880 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.990 -10.519 -12.587 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.013 -9.763 -13.657 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.795 -8.316 -13.051 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.948 -7.767 -11.918 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.057 -9.247 -10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.827 -7.848 -14.036 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.513 -8.984 -14.229 1.00 0.00 H new ATOM 1070 N SER A 73 -3.264 -11.109 -9.950 1.00 0.00 N ATOM 1071 CA SER A 73 -2.542 -12.127 -9.196 1.00 0.00 C ATOM 1072 C SER A 73 -3.457 -13.300 -8.853 1.00 0.00 C ATOM 1073 O SER A 73 -4.659 -13.128 -8.654 1.00 0.00 O ATOM 1074 CB SER A 73 -1.962 -11.527 -7.915 1.00 0.00 C ATOM 1075 OG SER A 73 -0.635 -11.074 -8.119 1.00 0.00 O ATOM 0 H SER A 73 -3.583 -10.317 -9.392 1.00 0.00 H new ATOM 0 HA SER A 73 -1.726 -12.495 -9.818 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.586 -10.697 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.977 -12.274 -7.121 1.00 0.00 H new ATOM 0 HG SER A 73 -0.288 -10.693 -7.286 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.877 -14.494 -8.786 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.637 -15.696 -8.466 1.00 0.00 C ATOM 1083 C VAL A 74 -3.400 -16.129 -7.024 1.00 0.00 C ATOM 1084 O VAL A 74 -4.224 -16.826 -6.432 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.271 -16.860 -9.407 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.429 -16.441 -10.860 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -1.853 -17.339 -9.132 1.00 0.00 C ATOM 0 H VAL A 74 -1.883 -14.655 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.690 -15.449 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.954 -17.688 -9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.166 -17.276 -11.510 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.463 -16.149 -11.044 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.771 -15.597 -11.069 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.610 -18.161 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.154 -16.519 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.778 -17.681 -8.100 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.268 -15.712 -6.464 1.00 0.00 N ATOM 1098 CA GLU A 75 -1.923 -16.057 -5.091 1.00 0.00 C ATOM 1099 C GLU A 75 -3.008 -15.592 -4.124 1.00 0.00 C ATOM 1100 O GLU A 75 -3.276 -14.397 -4.003 1.00 0.00 O ATOM 1101 CB GLU A 75 -0.580 -15.433 -4.707 1.00 0.00 C ATOM 1102 CG GLU A 75 0.514 -15.661 -5.736 1.00 0.00 C ATOM 1103 CD GLU A 75 0.650 -17.121 -6.128 1.00 0.00 C ATOM 1104 OE1 GLU A 75 1.009 -17.937 -5.255 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.399 -17.445 -7.307 1.00 0.00 O ATOM 0 H GLU A 75 -1.575 -15.135 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.843 -17.142 -5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.715 -14.361 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.258 -15.844 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.301 -15.068 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.464 -15.306 -5.336 1.00 0.00 H new ATOM 1112 N SER A 76 -3.629 -16.546 -3.437 1.00 0.00 N ATOM 1113 CA SER A 76 -4.688 -16.236 -2.483 1.00 0.00 C ATOM 1114 C SER A 76 -4.228 -15.176 -1.487 1.00 0.00 C ATOM 1115 O SER A 76 -5.007 -14.318 -1.072 1.00 0.00 O ATOM 1116 CB SER A 76 -5.119 -17.501 -1.738 1.00 0.00 C ATOM 1117 OG SER A 76 -5.227 -18.602 -2.623 1.00 0.00 O ATOM 0 H SER A 76 -3.417 -17.540 -3.523 1.00 0.00 H new ATOM 0 HA SER A 76 -5.540 -15.843 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.396 -17.730 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.077 -17.329 -1.247 1.00 0.00 H new ATOM 0 HG SER A 76 -5.502 -19.398 -2.122 1.00 0.00 H new ATOM 1123 N VAL A 77 -2.956 -15.243 -1.107 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.390 -14.289 -0.160 1.00 0.00 C ATOM 1125 C VAL A 77 -2.510 -12.862 -0.681 1.00 0.00 C ATOM 1126 O VAL A 77 -2.783 -11.934 0.081 1.00 0.00 O ATOM 1127 CB VAL A 77 -0.909 -14.597 0.128 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.109 -14.632 -1.165 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.331 -13.574 1.096 1.00 0.00 C ATOM 0 H VAL A 77 -2.298 -15.948 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.959 -14.384 0.765 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.844 -15.581 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.935 -14.851 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.510 -15.406 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.178 -13.664 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.716 -13.807 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.407 -12.578 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.888 -13.604 2.033 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.302 -12.693 -1.981 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.388 -11.377 -2.604 1.00 0.00 C ATOM 1141 C TRP A 78 -3.839 -10.937 -2.753 1.00 0.00 C ATOM 1142 O TRP A 78 -4.170 -9.772 -2.537 1.00 0.00 O ATOM 1143 CB TRP A 78 -1.704 -11.393 -3.972 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.240 -11.079 -3.909 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.791 -11.904 -4.259 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.356 -9.854 -3.467 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.992 -11.266 -4.061 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.752 -10.007 -3.576 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.154 -8.644 -2.991 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.641 -8.994 -3.226 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.730 -7.640 -2.644 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.114 -7.819 -2.764 1.00 0.00 C ATOM 0 H TRP A 78 -2.073 -13.450 -2.625 1.00 0.00 H new ATOM 0 HA TRP A 78 -1.877 -10.663 -1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -1.838 -12.375 -4.426 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.195 -10.671 -4.624 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.679 -12.910 -4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.913 -11.665 -4.245 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.220 -8.496 -2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.708 -9.131 -3.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.347 -6.701 -2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.778 -7.014 -2.486 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.703 -11.878 -3.123 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.121 -11.586 -3.300 1.00 0.00 C ATOM 1165 C ASN A 79 -6.766 -11.196 -1.974 1.00 0.00 C ATOM 1166 O ASN A 79 -7.480 -10.197 -1.889 1.00 0.00 O ATOM 1167 CB ASN A 79 -6.842 -12.798 -3.895 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.502 -13.012 -5.356 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.103 -12.403 -6.241 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.533 -13.884 -5.617 1.00 0.00 N ATOM 0 H ASN A 79 -4.446 -12.848 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.210 -10.745 -3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.576 -13.690 -3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.919 -12.664 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.261 -14.071 -6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.061 -14.366 -4.852 1.00 0.00 H new ATOM 1177 N MET A 80 -6.510 -11.992 -0.941 1.00 0.00 N ATOM 1178 CA MET A 80 -7.064 -11.729 0.383 1.00 0.00 C ATOM 1179 C MET A 80 -6.438 -10.480 0.996 1.00 0.00 C ATOM 1180 O MET A 80 -7.113 -9.704 1.672 1.00 0.00 O ATOM 1181 CB MET A 80 -6.838 -12.931 1.301 1.00 0.00 C ATOM 1182 CG MET A 80 -7.565 -14.187 0.850 1.00 0.00 C ATOM 1183 SD MET A 80 -7.858 -15.344 2.200 1.00 0.00 S ATOM 1184 CE MET A 80 -9.649 -15.395 2.220 1.00 0.00 C ATOM 0 H MET A 80 -5.923 -12.824 -0.995 1.00 0.00 H new ATOM 0 HA MET A 80 -8.135 -11.560 0.275 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.770 -13.140 1.356 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.165 -12.674 2.309 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.519 -13.909 0.402 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.981 -14.681 0.074 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.985 -16.072 3.006 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.039 -14.395 2.411 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.014 -15.749 1.256 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.145 -10.293 0.755 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.429 -9.138 1.282 1.00 0.00 C ATOM 1196 C ALA A 81 -5.136 -7.838 0.911 1.00 0.00 C ATOM 1197 O ALA A 81 -5.312 -6.954 1.751 1.00 0.00 O ATOM 1198 CB ALA A 81 -2.996 -9.126 0.772 1.00 0.00 C ATOM 0 H ALA A 81 -4.572 -10.927 0.198 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.414 -9.216 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.474 -8.258 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.488 -10.035 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.998 -9.076 -0.317 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.537 -7.727 -0.351 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.223 -6.535 -0.833 1.00 0.00 C ATOM 1206 C PHE A 82 -7.494 -6.275 -0.030 1.00 0.00 C ATOM 1207 O PHE A 82 -7.740 -5.155 0.418 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.566 -6.683 -2.317 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.477 -5.605 -2.832 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.133 -4.270 -2.706 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.678 -5.929 -3.442 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.969 -3.276 -3.179 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.519 -4.940 -3.917 1.00 0.00 C ATOM 1214 CZ PHE A 82 -9.164 -3.612 -3.786 1.00 0.00 C ATOM 0 H PHE A 82 -5.398 -8.449 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.553 -5.685 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.643 -6.676 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.037 -7.653 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.200 -4.002 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.960 -6.966 -3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.689 -2.238 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.453 -5.206 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.819 -2.838 -4.157 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.296 -7.318 0.150 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.542 -7.204 0.900 1.00 0.00 C ATOM 1226 C ASP A 83 -9.296 -6.572 2.267 1.00 0.00 C ATOM 1227 O ASP A 83 -10.084 -5.746 2.731 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.187 -8.581 1.070 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.663 -8.490 1.405 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -11.989 -8.116 2.550 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.491 -8.795 0.521 1.00 0.00 O ATOM 0 H ASP A 83 -8.106 -8.252 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.219 -6.561 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.060 -9.155 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.671 -9.126 1.860 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.201 -6.966 2.908 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.854 -6.440 4.223 1.00 0.00 C ATOM 1238 C PHE A 84 -7.304 -5.021 4.112 1.00 0.00 C ATOM 1239 O PHE A 84 -7.750 -4.113 4.816 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.826 -7.345 4.903 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.456 -6.898 6.287 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.239 -7.247 7.375 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.323 -6.128 6.502 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -6.901 -6.835 8.651 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -4.980 -5.714 7.775 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.770 -6.069 8.851 1.00 0.00 C ATOM 0 H PHE A 84 -7.539 -7.648 2.538 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.761 -6.414 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.222 -8.359 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.926 -7.384 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.124 -7.848 7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.701 -5.848 5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.521 -7.112 9.490 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.095 -5.114 7.928 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.503 -5.748 9.847 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.332 -4.836 3.226 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.721 -3.529 3.021 1.00 0.00 C ATOM 1258 C ILE A 85 -6.778 -2.466 2.743 1.00 0.00 C ATOM 1259 O ILE A 85 -6.870 -1.464 3.454 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.713 -3.553 1.858 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.601 -4.566 2.137 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -4.130 -2.165 1.633 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.034 -5.201 0.888 1.00 0.00 C ATOM 0 H ILE A 85 -5.950 -5.576 2.637 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.193 -3.280 3.941 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.235 -3.858 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.796 -4.070 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.989 -5.349 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.419 -2.198 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.933 -1.468 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.620 -1.833 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.251 -5.908 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.826 -5.726 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.615 -4.427 0.244 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.575 -2.690 1.704 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.628 -1.753 1.332 1.00 0.00 C ATOM 1277 C LEU A 86 -9.625 -1.571 2.471 1.00 0.00 C ATOM 1278 O LEU A 86 -10.157 -0.480 2.676 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.355 -2.243 0.077 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.385 -3.352 0.288 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.758 -2.760 0.564 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.432 -4.274 -0.922 1.00 0.00 C ATOM 0 H LEU A 86 -7.512 -3.513 1.104 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.164 -0.789 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.856 -1.392 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.610 -2.598 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.085 -3.940 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.478 -3.565 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.714 -2.143 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.067 -2.147 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.171 -5.058 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.707 -3.700 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.452 -4.726 -1.073 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.872 -2.648 3.211 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.802 -2.607 4.333 1.00 0.00 C ATOM 1296 C ASP A 87 -10.241 -1.765 5.474 1.00 0.00 C ATOM 1297 O ASP A 87 -10.990 -1.145 6.227 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.101 -4.024 4.827 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.893 -4.031 6.119 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.936 -3.347 6.179 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.471 -4.721 7.071 1.00 0.00 O ATOM 0 H ASP A 87 -9.441 -3.559 3.053 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.728 -2.147 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.657 -4.563 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.163 -4.559 4.976 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.918 -1.749 5.596 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.255 -0.985 6.647 1.00 0.00 C ATOM 1308 C ASN A 88 -8.266 0.506 6.323 1.00 0.00 C ATOM 1309 O ASN A 88 -8.554 1.337 7.185 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.815 -1.468 6.828 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.705 -2.594 7.838 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.827 -2.585 8.701 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.600 -3.570 7.735 1.00 0.00 N ATOM 0 H ASN A 88 -8.283 -2.257 4.980 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.802 -1.142 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.425 -1.805 5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.192 -0.633 7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.577 -4.354 8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.310 -3.536 7.004 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.951 0.838 5.075 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.926 2.228 4.637 1.00 0.00 C ATOM 1322 C VAL A 89 -9.338 2.794 4.520 1.00 0.00 C ATOM 1323 O VAL A 89 -9.555 3.989 4.714 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.212 2.377 3.281 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.771 1.900 3.382 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.961 1.614 2.199 1.00 0.00 C ATOM 0 H VAL A 89 -7.710 0.163 4.350 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.375 2.787 5.393 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.202 3.432 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.282 2.013 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.242 2.494 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.755 0.851 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.443 1.730 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.004 0.557 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.974 2.007 2.111 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.292 1.924 4.204 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.684 2.337 4.062 1.00 0.00 C ATOM 1338 C GLN A 90 -12.331 2.549 5.426 1.00 0.00 C ATOM 1339 O GLN A 90 -13.222 3.385 5.579 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.470 1.293 3.268 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.205 1.339 1.771 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.895 2.506 1.093 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -14.015 2.377 0.596 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.229 3.656 1.069 1.00 0.00 N ATOM 0 H GLN A 90 -10.127 0.931 4.042 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.702 3.283 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.220 0.300 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.535 1.441 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.131 1.406 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.544 0.408 1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.303 3.718 1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.644 4.476 0.627 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.878 1.787 6.416 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.411 1.891 7.768 1.00 0.00 C ATOM 1355 C VAL A 91 -11.847 3.110 8.490 1.00 0.00 C ATOM 1356 O VAL A 91 -12.588 3.888 9.089 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.101 0.629 8.594 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.255 0.912 10.080 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.998 -0.522 8.165 1.00 0.00 C ATOM 0 H VAL A 91 -11.142 1.090 6.306 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.492 1.997 7.673 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.066 0.340 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.032 0.009 10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.566 1.704 10.373 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.278 1.227 10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.765 -1.406 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.041 -0.247 8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.831 -0.740 7.110 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.529 3.269 8.427 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.864 4.394 9.073 1.00 0.00 C ATOM 1371 C VAL A 92 -10.483 5.719 8.644 1.00 0.00 C ATOM 1372 O VAL A 92 -10.731 6.598 9.471 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.358 4.416 8.751 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.133 4.379 7.246 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.699 5.643 9.365 1.00 0.00 C ATOM 0 H VAL A 92 -9.901 2.633 7.935 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.997 4.265 10.147 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.899 3.528 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.063 4.395 7.038 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.569 3.468 6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.605 5.247 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.635 5.642 9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.160 6.544 8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.829 5.623 10.447 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.732 5.858 7.346 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.324 7.076 6.807 1.00 0.00 C ATOM 1387 C LEU A 93 -12.811 7.154 7.141 1.00 0.00 C ATOM 1388 O LEU A 93 -13.380 8.241 7.229 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.128 7.134 5.291 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.252 6.537 4.444 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.308 7.590 4.141 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.695 5.950 3.156 1.00 0.00 C ATOM 0 H LEU A 93 -10.533 5.142 6.648 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.822 7.928 7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.997 8.177 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.201 6.616 5.045 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.722 5.734 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.100 7.147 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.729 7.963 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.852 8.415 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.509 5.530 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.199 6.734 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.977 5.165 3.394 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.432 5.994 7.328 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.851 5.931 7.655 1.00 0.00 C ATOM 1406 C GLN A 94 -15.114 6.491 9.048 1.00 0.00 C ATOM 1407 O GLN A 94 -16.221 6.937 9.348 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.353 4.488 7.568 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.730 4.285 8.178 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.226 2.860 8.038 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.369 2.624 7.646 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.367 1.899 8.359 1.00 0.00 N ATOM 0 H GLN A 94 -12.974 5.085 7.259 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.392 6.540 6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.380 4.184 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.642 3.834 8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.698 4.552 9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.438 4.961 7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.429 2.140 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.645 0.921 8.285 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.091 6.460 9.895 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.212 6.964 11.259 1.00 0.00 C ATOM 1423 C GLN A 95 -14.104 8.484 11.289 1.00 0.00 C ATOM 1424 O GLN A 95 -14.757 9.149 12.095 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.136 6.346 12.151 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.101 4.826 12.099 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.596 4.209 13.389 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.378 3.880 14.281 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.282 4.050 13.495 1.00 0.00 N ATOM 0 H GLN A 95 -13.169 6.091 9.662 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.194 6.681 11.638 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.162 6.734 11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.304 6.662 13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.102 4.450 11.889 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.462 4.509 11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.670 4.337 12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.884 3.641 14.341 1.00 0.00 H new ATOM 1438 N THR A 96 -13.273 9.032 10.407 1.00 0.00 N ATOM 1439 CA THR A 96 -13.077 10.474 10.334 1.00 0.00 C ATOM 1440 C THR A 96 -14.118 11.124 9.430 1.00 0.00 C ATOM 1441 O THR A 96 -14.527 12.264 9.658 1.00 0.00 O ATOM 1442 CB THR A 96 -11.671 10.824 9.812 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.400 12.213 10.030 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.547 10.504 8.330 1.00 0.00 C ATOM 0 H THR A 96 -12.725 8.498 9.733 1.00 0.00 H new ATOM 0 HA THR A 96 -13.187 10.860 11.347 1.00 0.00 H new ATOM 0 HB THR A 96 -10.945 10.222 10.358 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.504 12.428 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.545 10.760 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.725 9.440 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.282 11.082 7.770 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.543 10.396 8.405 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.536 10.903 7.465 1.00 0.00 C ATOM 1454 C TYR A 97 -16.935 10.416 7.834 1.00 0.00 C ATOM 1455 O TYR A 97 -17.861 11.211 7.985 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.191 10.466 6.040 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.065 11.262 5.419 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.280 12.548 4.938 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.787 10.728 5.312 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.256 13.278 4.369 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.756 11.452 4.745 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.995 12.726 4.276 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.970 13.449 3.709 1.00 0.00 O ATOM 0 H TYR A 97 -14.215 9.451 8.203 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.525 11.992 7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.917 9.411 6.049 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.079 10.560 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.265 12.984 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.596 9.730 5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.441 14.276 3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.768 11.022 4.670 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.949 13.285 2.743 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.078 9.102 7.977 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.364 8.531 8.327 1.00 0.00 C ATOM 1475 C GLY A 98 -18.829 7.490 7.327 1.00 0.00 C ATOM 1476 O GLY A 98 -19.711 6.685 7.623 1.00 0.00 O ATOM 0 H GLY A 98 -16.326 8.423 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.299 8.077 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.106 9.327 8.390 1.00 0.00 H new ATOM 1480 N SER A 99 -18.234 7.508 6.138 1.00 0.00 N ATOM 1481 CA SER A 99 -18.594 6.562 5.089 1.00 0.00 C ATOM 1482 C SER A 99 -17.348 6.000 4.411 1.00 0.00 C ATOM 1483 O SER A 99 -16.222 6.302 4.806 1.00 0.00 O ATOM 1484 CB SER A 99 -19.493 7.238 4.051 1.00 0.00 C ATOM 1485 OG SER A 99 -20.498 8.016 4.676 1.00 0.00 O ATOM 0 H SER A 99 -17.501 8.167 5.878 1.00 0.00 H new ATOM 0 HA SER A 99 -19.138 5.737 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.890 7.872 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.956 6.481 3.418 1.00 0.00 H new ATOM 0 HG SER A 99 -21.058 8.438 3.991 1.00 0.00 H new ATOM 1491 N THR A 100 -17.558 5.180 3.386 1.00 0.00 N ATOM 1492 CA THR A 100 -16.454 4.574 2.654 1.00 0.00 C ATOM 1493 C THR A 100 -16.604 4.794 1.152 1.00 0.00 C ATOM 1494 O THR A 100 -17.703 5.053 0.659 1.00 0.00 O ATOM 1495 CB THR A 100 -16.357 3.062 2.932 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.472 2.383 2.345 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.320 2.790 4.429 1.00 0.00 C ATOM 0 H THR A 100 -18.483 4.921 3.044 1.00 0.00 H new ATOM 0 HA THR A 100 -15.541 5.059 3.001 1.00 0.00 H new ATOM 0 HB THR A 100 -15.433 2.691 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.402 1.422 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.251 1.716 4.602 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.453 3.284 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.229 3.175 4.891 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.494 4.687 0.430 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.503 4.874 -1.017 1.00 0.00 C ATOM 1507 C LEU A 101 -16.046 3.636 -1.722 1.00 0.00 C ATOM 1508 O LEU A 101 -16.016 2.533 -1.176 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.091 5.183 -1.519 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.384 6.363 -0.851 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.876 6.237 -1.002 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.873 7.679 -1.436 1.00 0.00 C ATOM 0 H LEU A 101 -14.577 4.472 0.822 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.156 5.716 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.476 4.293 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.142 5.375 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.624 6.351 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.390 7.086 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.539 5.312 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.616 6.223 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.359 8.507 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.664 7.702 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.947 7.773 -1.274 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.540 3.825 -2.941 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.088 2.723 -3.724 1.00 0.00 C ATOM 1526 C LYS A 102 -15.987 2.009 -4.502 1.00 0.00 C ATOM 1527 O LYS A 102 -15.134 2.648 -5.118 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.157 3.239 -4.690 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.889 2.135 -5.434 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.520 1.141 -4.473 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.289 0.059 -5.217 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.204 -0.692 -4.313 1.00 0.00 N ATOM 0 H LYS A 102 -16.572 4.731 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.543 2.011 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.882 3.833 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.689 3.905 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.661 2.571 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.193 1.615 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.744 0.682 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.192 1.666 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.866 0.512 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.586 -0.634 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.710 -1.420 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.651 -1.146 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.891 -0.035 -3.891 1.00 0.00 H new ATOM 1546 N VAL A 103 -16.013 0.681 -4.471 1.00 0.00 N ATOM 1547 CA VAL A 103 -15.019 -0.120 -5.176 1.00 0.00 C ATOM 1548 C VAL A 103 -15.634 -0.832 -6.375 1.00 0.00 C ATOM 1549 O VAL A 103 -15.980 -2.011 -6.302 1.00 0.00 O ATOM 1550 CB VAL A 103 -14.379 -1.167 -4.244 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -15.453 -1.979 -3.536 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -13.443 -2.076 -5.027 1.00 0.00 C ATOM 0 H VAL A 103 -16.712 0.136 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.248 0.568 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.793 -0.645 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.982 -2.713 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -16.080 -1.314 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.067 -2.493 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -13.000 -2.809 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -14.004 -2.592 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.653 -1.479 -5.483 1.00 0.00 H new ATOM 1562 N THR A 104 -15.771 -0.105 -7.480 1.00 0.00 N ATOM 1563 CA THR A 104 -16.347 -0.666 -8.697 1.00 0.00 C ATOM 1564 C THR A 104 -15.281 -1.352 -9.543 1.00 0.00 C ATOM 1565 O THR A 104 -15.491 -2.457 -10.047 1.00 0.00 O ATOM 1566 CB THR A 104 -17.037 0.419 -9.543 1.00 0.00 C ATOM 1567 OG1 THR A 104 -16.225 1.598 -9.585 1.00 0.00 O ATOM 1568 CG2 THR A 104 -18.405 0.762 -8.974 1.00 0.00 C ATOM 0 H THR A 104 -15.491 0.873 -7.557 1.00 0.00 H new ATOM 0 HA THR A 104 -17.090 -1.401 -8.386 1.00 0.00 H new ATOM 0 HB THR A 104 -17.168 0.031 -10.553 1.00 0.00 H new ATOM 0 HG1 THR A 104 -16.670 2.283 -10.127 1.00 0.00 H new ATOM 0 HG21 THR A 104 -18.873 1.531 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 104 -19.031 -0.130 -8.970 1.00 0.00 H new ATOM 0 HG23 THR A 104 -18.293 1.131 -7.955 1.00 0.00 H new TER 1576 THR A 104