USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 806 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 32 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-0.053) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0882 K(o=-0.088,f=-0.69) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 37 THR OG1 : rot 164:sc= 0.101 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.27) USER MOD Single : A 44 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.18) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 0.65 (180deg=0.335) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.11) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= 0.954 (180deg=0.0782) USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= 1.08 (180deg=-0.0159) USER MOD Single : A 62 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-3.5!) USER MOD Single : A 63 CYS SG : rot 50:sc= -1.21! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 82:sc= 0.42 USER MOD Single : A 76 MET CE :methyl -147:sc= -0.628 (180deg=-1.26) USER MOD Single : A 77 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -2.06 USER MOD Single : A 89 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.065) USER MOD Single : A 91 TYR OH : rot 20:sc= 0.569 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 159:sc= -1.36 (180deg=-2.22) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.804 13.217 -6.879 1.00 0.00 N ATOM 21 CA LEU A 2 -5.017 12.017 -6.525 1.00 0.00 C ATOM 22 C LEU A 2 -5.837 10.726 -6.668 1.00 0.00 C ATOM 23 O LEU A 2 -5.266 9.644 -6.730 1.00 0.00 O ATOM 24 CB LEU A 2 -4.428 12.100 -5.084 1.00 0.00 C ATOM 25 CG LEU A 2 -5.242 11.410 -3.931 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.341 11.120 -2.731 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.487 12.234 -3.519 1.00 0.00 C ATOM 0 HA LEU A 2 -4.191 11.987 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.430 11.661 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.308 13.153 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.611 10.460 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.925 10.642 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.532 10.457 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.923 12.054 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.017 11.717 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.173 13.218 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.148 12.348 -4.378 1.00 0.00 H new ATOM 39 N GLU A 3 -7.171 10.837 -6.655 1.00 0.00 N ATOM 40 CA GLU A 3 -8.065 9.663 -6.757 1.00 0.00 C ATOM 41 C GLU A 3 -8.004 9.028 -8.170 1.00 0.00 C ATOM 42 O GLU A 3 -8.461 7.901 -8.374 1.00 0.00 O ATOM 43 CB GLU A 3 -9.530 9.954 -6.298 1.00 0.00 C ATOM 44 CG GLU A 3 -10.235 11.150 -6.955 1.00 0.00 C ATOM 45 CD GLU A 3 -9.769 12.517 -6.426 1.00 0.00 C ATOM 46 OE1 GLU A 3 -10.152 12.897 -5.305 1.00 0.00 O ATOM 47 OE2 GLU A 3 -9.021 13.216 -7.123 1.00 0.00 O ATOM 0 H GLU A 3 -7.662 11.728 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.686 8.927 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.128 9.062 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.523 10.114 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.067 11.112 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.309 11.057 -6.797 1.00 0.00 H new ATOM 54 N ASP A 4 -7.426 9.781 -9.128 1.00 0.00 N ATOM 55 CA ASP A 4 -7.088 9.290 -10.486 1.00 0.00 C ATOM 56 C ASP A 4 -5.839 8.364 -10.468 1.00 0.00 C ATOM 57 O ASP A 4 -5.562 7.658 -11.443 1.00 0.00 O ATOM 58 CB ASP A 4 -6.849 10.506 -11.418 1.00 0.00 C ATOM 59 CG ASP A 4 -8.091 11.408 -11.538 1.00 0.00 C ATOM 60 OD1 ASP A 4 -8.379 12.168 -10.583 1.00 0.00 O ATOM 61 OD2 ASP A 4 -8.799 11.346 -12.568 1.00 0.00 O ATOM 0 H ASP A 4 -7.177 10.759 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.922 8.696 -10.859 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.013 11.093 -11.038 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.565 10.151 -12.408 1.00 0.00 H new ATOM 66 N TYR A 5 -5.093 8.386 -9.340 1.00 0.00 N ATOM 67 CA TYR A 5 -3.929 7.491 -9.079 1.00 0.00 C ATOM 68 C TYR A 5 -4.411 6.124 -8.514 1.00 0.00 C ATOM 69 O TYR A 5 -3.586 5.301 -8.082 1.00 0.00 O ATOM 70 CB TYR A 5 -2.939 8.149 -8.055 1.00 0.00 C ATOM 71 CG TYR A 5 -2.221 9.447 -8.496 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.898 10.485 -9.149 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.864 9.649 -8.212 1.00 0.00 C ATOM 74 CE1 TYR A 5 -2.256 11.657 -9.501 1.00 0.00 C ATOM 75 CE2 TYR A 5 -0.219 10.818 -8.570 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.918 11.820 -9.209 1.00 0.00 C ATOM 77 OH TYR A 5 -0.283 12.997 -9.546 1.00 0.00 O ATOM 0 H TYR A 5 -5.280 9.031 -8.573 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.412 7.332 -10.025 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.493 8.364 -7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.177 7.412 -7.801 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.946 10.367 -9.383 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.310 8.875 -7.702 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.800 12.443 -10.003 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.830 10.946 -8.350 1.00 0.00 H new ATOM 0 HH TYR A 5 0.656 12.952 -9.271 1.00 0.00 H new ATOM 87 N ALA A 6 -5.752 5.913 -8.491 1.00 0.00 N ATOM 88 CA ALA A 6 -6.384 4.678 -7.999 1.00 0.00 C ATOM 89 C ALA A 6 -6.039 3.486 -8.886 1.00 0.00 C ATOM 90 O ALA A 6 -6.615 3.314 -9.972 1.00 0.00 O ATOM 91 CB ALA A 6 -7.912 4.845 -7.911 1.00 0.00 C ATOM 0 H ALA A 6 -6.424 6.607 -8.818 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.992 4.485 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.359 3.920 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.150 5.659 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.310 5.074 -8.899 1.00 0.00 H new ATOM 97 N ILE A 7 -5.060 2.702 -8.444 1.00 0.00 N ATOM 98 CA ILE A 7 -4.715 1.437 -9.082 1.00 0.00 C ATOM 99 C ILE A 7 -5.615 0.346 -8.476 1.00 0.00 C ATOM 100 O ILE A 7 -5.751 0.263 -7.249 1.00 0.00 O ATOM 101 CB ILE A 7 -3.188 1.083 -8.893 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.289 2.301 -9.307 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.815 -0.179 -9.710 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.791 2.070 -9.209 1.00 0.00 C ATOM 0 H ILE A 7 -4.484 2.927 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.880 1.511 -10.157 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.010 0.868 -7.839 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.530 2.576 -10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.550 3.153 -8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.759 -0.406 -9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.417 -1.022 -9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.007 0.002 -10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.263 2.972 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.527 1.829 -8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.507 1.243 -9.860 1.00 0.00 H new ATOM 116 N SER A 8 -6.283 -0.430 -9.334 1.00 0.00 N ATOM 117 CA SER A 8 -7.134 -1.556 -8.902 1.00 0.00 C ATOM 118 C SER A 8 -6.358 -2.880 -8.991 1.00 0.00 C ATOM 119 O SER A 8 -5.352 -2.971 -9.699 1.00 0.00 O ATOM 120 CB SER A 8 -8.410 -1.606 -9.764 1.00 0.00 C ATOM 121 OG SER A 8 -9.144 -0.397 -9.642 1.00 0.00 O ATOM 0 H SER A 8 -6.253 -0.301 -10.345 1.00 0.00 H new ATOM 0 HA SER A 8 -7.423 -1.406 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.144 -1.772 -10.808 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.031 -2.447 -9.456 1.00 0.00 H new ATOM 0 HG SER A 8 -9.950 -0.446 -10.197 1.00 0.00 H new ATOM 127 N LEU A 9 -6.843 -3.899 -8.266 1.00 0.00 N ATOM 128 CA LEU A 9 -6.210 -5.234 -8.197 1.00 0.00 C ATOM 129 C LEU A 9 -6.214 -5.957 -9.578 1.00 0.00 C ATOM 130 O LEU A 9 -5.335 -6.780 -9.866 1.00 0.00 O ATOM 131 CB LEU A 9 -6.916 -6.067 -7.090 1.00 0.00 C ATOM 132 CG LEU A 9 -6.433 -7.536 -6.876 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.901 -7.619 -6.697 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.166 -8.177 -5.676 1.00 0.00 C ATOM 0 H LEU A 9 -7.692 -3.824 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.158 -5.119 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.804 -5.535 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.982 -6.093 -7.317 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.681 -8.099 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.608 -8.659 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.409 -7.225 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.604 -7.033 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.817 -9.201 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.959 -7.601 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.239 -8.181 -5.865 1.00 0.00 H new ATOM 146 N GLU A 10 -7.185 -5.597 -10.429 1.00 0.00 N ATOM 147 CA GLU A 10 -7.338 -6.159 -11.791 1.00 0.00 C ATOM 148 C GLU A 10 -6.253 -5.644 -12.773 1.00 0.00 C ATOM 149 O GLU A 10 -6.005 -6.267 -13.811 1.00 0.00 O ATOM 150 CB GLU A 10 -8.746 -5.799 -12.330 1.00 0.00 C ATOM 151 CG GLU A 10 -9.004 -4.280 -12.459 1.00 0.00 C ATOM 152 CD GLU A 10 -10.418 -3.938 -12.940 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.368 -4.089 -12.145 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.590 -3.533 -14.117 1.00 0.00 O ATOM 0 H GLU A 10 -7.895 -4.903 -10.196 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.217 -7.240 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.879 -6.263 -13.307 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.497 -6.229 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.834 -3.807 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.280 -3.854 -13.154 1.00 0.00 H new ATOM 161 N GLU A 11 -5.611 -4.515 -12.429 1.00 0.00 N ATOM 162 CA GLU A 11 -4.686 -3.787 -13.334 1.00 0.00 C ATOM 163 C GLU A 11 -3.315 -3.530 -12.670 1.00 0.00 C ATOM 164 O GLU A 11 -2.439 -2.895 -13.274 1.00 0.00 O ATOM 165 CB GLU A 11 -5.345 -2.440 -13.748 1.00 0.00 C ATOM 166 CG GLU A 11 -5.743 -1.549 -12.549 1.00 0.00 C ATOM 167 CD GLU A 11 -6.446 -0.236 -12.919 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.428 -0.284 -13.689 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.056 0.837 -12.402 1.00 0.00 O ATOM 0 H GLU A 11 -5.715 -4.075 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.505 -4.404 -14.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.654 -1.888 -14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.233 -2.648 -14.345 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.398 -2.121 -11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.845 -1.314 -11.977 1.00 0.00 H new ATOM 176 N VAL A 12 -3.127 -4.030 -11.434 1.00 0.00 N ATOM 177 CA VAL A 12 -1.905 -3.764 -10.647 1.00 0.00 C ATOM 178 C VAL A 12 -0.778 -4.756 -11.005 1.00 0.00 C ATOM 179 O VAL A 12 -1.035 -5.876 -11.455 1.00 0.00 O ATOM 180 CB VAL A 12 -2.206 -3.807 -9.097 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.549 -5.222 -8.598 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.059 -3.186 -8.260 1.00 0.00 C ATOM 0 H VAL A 12 -3.807 -4.622 -10.957 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.566 -2.760 -10.903 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.093 -3.191 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.747 -5.192 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.433 -5.587 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.710 -5.890 -8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.312 -3.239 -7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.137 -3.738 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.921 -2.144 -8.549 1.00 0.00 H new ATOM 192 N ASN A 13 0.467 -4.294 -10.842 1.00 0.00 N ATOM 193 CA ASN A 13 1.681 -5.126 -10.901 1.00 0.00 C ATOM 194 C ASN A 13 2.556 -4.716 -9.718 1.00 0.00 C ATOM 195 O ASN A 13 3.320 -3.768 -9.833 1.00 0.00 O ATOM 196 CB ASN A 13 2.446 -4.925 -12.244 1.00 0.00 C ATOM 197 CG ASN A 13 1.687 -5.433 -13.472 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.871 -6.573 -13.905 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.826 -4.603 -14.035 1.00 0.00 N ATOM 0 H ASN A 13 0.666 -3.310 -10.661 1.00 0.00 H new ATOM 0 HA ASN A 13 1.418 -6.183 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.659 -3.864 -12.374 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.406 -5.438 -12.184 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.291 -4.899 -14.851 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.696 -3.666 -13.653 1.00 0.00 H new ATOM 206 N PHE A 14 2.399 -5.391 -8.560 1.00 0.00 N ATOM 207 CA PHE A 14 3.102 -5.004 -7.304 1.00 0.00 C ATOM 208 C PHE A 14 4.644 -5.030 -7.464 1.00 0.00 C ATOM 209 O PHE A 14 5.351 -4.278 -6.792 1.00 0.00 O ATOM 210 CB PHE A 14 2.664 -5.899 -6.113 1.00 0.00 C ATOM 211 CG PHE A 14 1.199 -5.728 -5.701 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.741 -4.520 -5.182 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.285 -6.768 -5.824 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.580 -4.369 -4.801 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.034 -6.617 -5.445 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.464 -5.417 -4.934 1.00 0.00 C ATOM 0 H PHE A 14 1.794 -6.206 -8.462 1.00 0.00 H new ATOM 0 HA PHE A 14 2.812 -3.976 -7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.836 -6.943 -6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.299 -5.678 -5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.425 -3.691 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.614 -7.715 -6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.920 -3.426 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.725 -7.440 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.495 -5.295 -4.636 1.00 0.00 H new ATOM 226 N ASN A 15 5.137 -5.884 -8.384 1.00 0.00 N ATOM 227 CA ASN A 15 6.574 -5.967 -8.746 1.00 0.00 C ATOM 228 C ASN A 15 7.094 -4.626 -9.317 1.00 0.00 C ATOM 229 O ASN A 15 8.253 -4.264 -9.114 1.00 0.00 O ATOM 230 CB ASN A 15 6.810 -7.110 -9.777 1.00 0.00 C ATOM 231 CG ASN A 15 6.144 -6.861 -11.143 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.978 -7.192 -11.353 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.876 -6.269 -12.077 1.00 0.00 N ATOM 0 H ASN A 15 4.551 -6.539 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 15 7.131 -6.185 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.882 -7.239 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.431 -8.044 -9.363 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.474 -6.078 -12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.841 -6.004 -11.877 1.00 0.00 H new ATOM 240 N ASP A 16 6.197 -3.908 -10.015 1.00 0.00 N ATOM 241 CA ASP A 16 6.505 -2.659 -10.736 1.00 0.00 C ATOM 242 C ASP A 16 6.736 -1.478 -9.766 1.00 0.00 C ATOM 243 O ASP A 16 7.421 -0.514 -10.118 1.00 0.00 O ATOM 244 CB ASP A 16 5.349 -2.342 -11.735 1.00 0.00 C ATOM 245 CG ASP A 16 5.608 -1.146 -12.673 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.685 -1.086 -13.301 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.734 -0.270 -12.806 1.00 0.00 O ATOM 0 H ASP A 16 5.218 -4.184 -10.096 1.00 0.00 H new ATOM 0 HA ASP A 16 7.434 -2.799 -11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.161 -3.227 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.440 -2.148 -11.166 1.00 0.00 H new ATOM 252 N PHE A 17 6.187 -1.566 -8.534 1.00 0.00 N ATOM 253 CA PHE A 17 6.243 -0.449 -7.557 1.00 0.00 C ATOM 254 C PHE A 17 6.961 -0.903 -6.269 1.00 0.00 C ATOM 255 O PHE A 17 7.020 -2.101 -5.969 1.00 0.00 O ATOM 256 CB PHE A 17 4.807 0.063 -7.192 1.00 0.00 C ATOM 257 CG PHE A 17 3.743 -0.091 -8.290 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.709 0.771 -9.373 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.777 -1.095 -8.230 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.761 0.641 -10.364 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.825 -1.223 -9.223 1.00 0.00 C ATOM 262 CZ PHE A 17 1.816 -0.358 -10.290 1.00 0.00 C ATOM 0 H PHE A 17 5.701 -2.395 -8.191 1.00 0.00 H new ATOM 0 HA PHE A 17 6.797 0.367 -8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.466 -0.471 -6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.875 1.117 -6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.441 1.562 -9.442 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.773 -1.782 -7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.759 1.324 -11.201 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.085 -2.007 -9.160 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.072 -0.461 -11.066 1.00 0.00 H new ATOM 272 N ILE A 18 7.510 0.072 -5.516 1.00 0.00 N ATOM 273 CA ILE A 18 7.936 -0.137 -4.120 1.00 0.00 C ATOM 274 C ILE A 18 6.674 -0.054 -3.251 1.00 0.00 C ATOM 275 O ILE A 18 6.153 1.036 -3.009 1.00 0.00 O ATOM 276 CB ILE A 18 8.992 0.936 -3.641 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.224 0.981 -4.603 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.435 0.660 -2.177 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.286 2.015 -4.242 1.00 0.00 C ATOM 0 H ILE A 18 7.669 1.020 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 18 8.427 -1.107 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 18 8.514 1.915 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.689 -0.005 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.870 1.184 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.162 1.411 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.567 0.704 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.887 -0.330 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.099 1.970 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.843 3.011 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.675 1.804 -3.246 1.00 0.00 H new ATOM 291 N VAL A 19 6.172 -1.208 -2.803 1.00 0.00 N ATOM 292 CA VAL A 19 4.848 -1.292 -2.170 1.00 0.00 C ATOM 293 C VAL A 19 4.980 -1.020 -0.662 1.00 0.00 C ATOM 294 O VAL A 19 6.046 -1.234 -0.073 1.00 0.00 O ATOM 295 CB VAL A 19 4.180 -2.697 -2.458 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.729 -2.786 -1.930 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.220 -3.020 -3.970 1.00 0.00 C ATOM 0 H VAL A 19 6.662 -2.100 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 19 4.193 -0.533 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 19 4.765 -3.439 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.320 -3.771 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.724 -2.629 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.119 -2.021 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.756 -3.990 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.677 -2.252 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.256 -3.046 -4.309 1.00 0.00 H new ATOM 307 N VAL A 20 3.913 -0.491 -0.058 1.00 0.00 N ATOM 308 CA VAL A 20 3.804 -0.285 1.391 1.00 0.00 C ATOM 309 C VAL A 20 2.488 -0.897 1.882 1.00 0.00 C ATOM 310 O VAL A 20 1.418 -0.656 1.304 1.00 0.00 O ATOM 311 CB VAL A 20 3.872 1.244 1.787 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.555 1.480 3.284 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.248 1.854 1.425 1.00 0.00 C ATOM 0 H VAL A 20 3.085 -0.188 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 20 4.653 -0.774 1.868 1.00 0.00 H new ATOM 0 HB VAL A 20 3.101 1.750 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.615 2.546 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.550 1.120 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.276 0.941 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.266 2.906 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.034 1.321 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.414 1.765 0.351 1.00 0.00 H new ATOM 323 N ASP A 21 2.595 -1.716 2.929 1.00 0.00 N ATOM 324 CA ASP A 21 1.453 -2.289 3.638 1.00 0.00 C ATOM 325 C ASP A 21 0.922 -1.213 4.595 1.00 0.00 C ATOM 326 O ASP A 21 1.536 -0.994 5.633 1.00 0.00 O ATOM 327 CB ASP A 21 1.971 -3.551 4.414 1.00 0.00 C ATOM 328 CG ASP A 21 0.864 -4.471 4.949 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.334 -4.231 6.046 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.522 -5.457 4.250 1.00 0.00 O ATOM 0 H ASP A 21 3.495 -2.004 3.314 1.00 0.00 H new ATOM 0 HA ASP A 21 0.646 -2.594 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.617 -4.128 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.586 -3.220 5.251 1.00 0.00 H new ATOM 335 N VAL A 22 -0.188 -0.511 4.229 1.00 0.00 N ATOM 336 CA VAL A 22 -0.773 0.551 5.092 1.00 0.00 C ATOM 337 C VAL A 22 -1.912 -0.050 5.920 1.00 0.00 C ATOM 338 O VAL A 22 -3.108 0.093 5.615 1.00 0.00 O ATOM 339 CB VAL A 22 -1.247 1.827 4.276 1.00 0.00 C ATOM 340 CG1 VAL A 22 -0.027 2.605 3.735 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.214 1.451 3.120 1.00 0.00 C ATOM 0 H VAL A 22 -0.689 -0.660 3.353 1.00 0.00 H new ATOM 0 HA VAL A 22 0.009 0.915 5.758 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.798 2.469 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.369 3.477 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.597 2.929 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.554 1.959 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.513 2.354 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.711 0.774 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.098 0.961 3.529 1.00 0.00 H new ATOM 351 N ARG A 23 -1.521 -0.750 6.992 1.00 0.00 N ATOM 352 CA ARG A 23 -2.458 -1.518 7.831 1.00 0.00 C ATOM 353 C ARG A 23 -1.968 -1.505 9.297 1.00 0.00 C ATOM 354 O ARG A 23 -1.979 -0.440 9.925 1.00 0.00 O ATOM 355 CB ARG A 23 -2.676 -2.978 7.276 1.00 0.00 C ATOM 356 CG ARG A 23 -3.292 -3.079 5.851 1.00 0.00 C ATOM 357 CD ARG A 23 -3.620 -4.514 5.421 1.00 0.00 C ATOM 358 NE ARG A 23 -2.425 -5.367 5.407 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.398 -6.686 5.616 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.492 -7.369 5.938 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.247 -7.309 5.539 1.00 0.00 N ATOM 0 H ARG A 23 -0.551 -0.802 7.304 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.438 -1.041 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.715 -3.492 7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.322 -3.516 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.203 -2.481 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.597 -2.644 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.360 -4.937 6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.069 -4.502 4.428 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.532 -4.910 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.386 -6.886 6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.438 -8.376 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.398 -6.787 5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.201 -8.316 5.695 1.00 0.00 H new ATOM 375 N GLU A 24 -1.508 -2.669 9.822 1.00 0.00 N ATOM 376 CA GLU A 24 -1.086 -2.842 11.230 1.00 0.00 C ATOM 377 C GLU A 24 -0.008 -3.932 11.304 1.00 0.00 C ATOM 378 O GLU A 24 0.228 -4.640 10.313 1.00 0.00 O ATOM 379 CB GLU A 24 -2.293 -3.245 12.140 1.00 0.00 C ATOM 380 CG GLU A 24 -3.341 -2.140 12.383 1.00 0.00 C ATOM 381 CD GLU A 24 -4.508 -2.608 13.261 1.00 0.00 C ATOM 382 OE1 GLU A 24 -4.423 -2.492 14.503 1.00 0.00 O ATOM 383 OE2 GLU A 24 -5.511 -3.097 12.711 1.00 0.00 O ATOM 0 H GLU A 24 -1.420 -3.522 9.270 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.690 -1.892 11.589 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.793 -4.103 11.691 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.905 -3.571 13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.857 -1.285 12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.729 -1.797 11.424 1.00 0.00 H new ATOM 390 N LEU A 25 0.628 -4.073 12.489 1.00 0.00 N ATOM 391 CA LEU A 25 1.624 -5.127 12.749 1.00 0.00 C ATOM 392 C LEU A 25 0.980 -6.516 12.625 1.00 0.00 C ATOM 393 O LEU A 25 1.493 -7.373 11.910 1.00 0.00 O ATOM 394 CB LEU A 25 2.253 -4.944 14.161 1.00 0.00 C ATOM 395 CG LEU A 25 3.221 -6.076 14.648 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.436 -6.240 13.703 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.674 -5.841 16.109 1.00 0.00 C ATOM 0 H LEU A 25 0.463 -3.459 13.287 1.00 0.00 H new ATOM 0 HA LEU A 25 2.416 -5.045 12.004 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.799 -4.001 14.171 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.444 -4.852 14.886 1.00 0.00 H new ATOM 0 HG LEU A 25 2.661 -7.011 14.620 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.082 -7.034 14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.087 -6.496 12.703 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.995 -5.305 13.664 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.344 -6.644 16.416 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.195 -4.886 16.179 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.802 -5.827 16.763 1.00 0.00 H new ATOM 409 N ASP A 26 -0.166 -6.700 13.308 1.00 0.00 N ATOM 410 CA ASP A 26 -0.892 -7.989 13.335 1.00 0.00 C ATOM 411 C ASP A 26 -1.345 -8.386 11.915 1.00 0.00 C ATOM 412 O ASP A 26 -1.184 -9.538 11.514 1.00 0.00 O ATOM 413 CB ASP A 26 -2.111 -7.904 14.291 1.00 0.00 C ATOM 414 CG ASP A 26 -2.770 -9.274 14.583 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.338 -9.957 15.536 1.00 0.00 O ATOM 416 OD2 ASP A 26 -3.726 -9.664 13.882 1.00 0.00 O ATOM 0 H ASP A 26 -0.615 -5.965 13.855 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.215 -8.758 13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.793 -7.456 15.232 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.856 -7.238 13.857 1.00 0.00 H new ATOM 421 N GLU A 27 -1.887 -7.387 11.179 1.00 0.00 N ATOM 422 CA GLU A 27 -2.302 -7.511 9.760 1.00 0.00 C ATOM 423 C GLU A 27 -1.149 -7.987 8.854 1.00 0.00 C ATOM 424 O GLU A 27 -1.354 -8.808 7.954 1.00 0.00 O ATOM 425 CB GLU A 27 -2.822 -6.137 9.250 1.00 0.00 C ATOM 426 CG GLU A 27 -4.255 -5.774 9.666 1.00 0.00 C ATOM 427 CD GLU A 27 -5.318 -6.590 8.909 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.508 -6.335 7.696 1.00 0.00 O ATOM 429 OE2 GLU A 27 -5.981 -7.463 9.513 1.00 0.00 O ATOM 0 H GLU A 27 -2.051 -6.456 11.561 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.092 -8.261 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.150 -5.358 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.766 -6.129 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.371 -5.939 10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.423 -4.712 9.487 1.00 0.00 H new ATOM 436 N TYR A 28 0.036 -7.431 9.098 1.00 0.00 N ATOM 437 CA TYR A 28 1.257 -7.745 8.341 1.00 0.00 C ATOM 438 C TYR A 28 1.728 -9.184 8.622 1.00 0.00 C ATOM 439 O TYR A 28 2.141 -9.898 7.704 1.00 0.00 O ATOM 440 CB TYR A 28 2.342 -6.712 8.734 1.00 0.00 C ATOM 441 CG TYR A 28 3.717 -6.871 8.061 1.00 0.00 C ATOM 442 CD1 TYR A 28 3.996 -6.276 6.826 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.744 -7.593 8.680 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.241 -6.402 6.242 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.980 -7.717 8.097 1.00 0.00 C ATOM 446 CZ TYR A 28 6.228 -7.123 6.883 1.00 0.00 C ATOM 447 OH TYR A 28 7.464 -7.266 6.296 1.00 0.00 O ATOM 0 H TYR A 28 0.182 -6.741 9.835 1.00 0.00 H new ATOM 0 HA TYR A 28 1.059 -7.684 7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.963 -5.716 8.505 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.483 -6.759 9.814 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.227 -5.710 6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.560 -8.062 9.635 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.442 -5.938 5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.757 -8.281 8.592 1.00 0.00 H new ATOM 0 HH TYR A 28 8.043 -7.801 6.879 1.00 0.00 H new ATOM 457 N GLU A 29 1.626 -9.589 9.900 1.00 0.00 N ATOM 458 CA GLU A 29 2.172 -10.868 10.400 1.00 0.00 C ATOM 459 C GLU A 29 1.328 -12.076 9.979 1.00 0.00 C ATOM 460 O GLU A 29 1.874 -13.169 9.762 1.00 0.00 O ATOM 461 CB GLU A 29 2.297 -10.837 11.936 1.00 0.00 C ATOM 462 CG GLU A 29 3.343 -9.850 12.481 1.00 0.00 C ATOM 463 CD GLU A 29 3.494 -9.931 14.003 1.00 0.00 C ATOM 464 OE1 GLU A 29 2.549 -9.539 14.715 1.00 0.00 O ATOM 465 OE2 GLU A 29 4.552 -10.401 14.491 1.00 0.00 O ATOM 0 H GLU A 29 1.161 -9.037 10.621 1.00 0.00 H new ATOM 0 HA GLU A 29 3.158 -10.982 9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.325 -10.585 12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.547 -11.839 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.306 -10.052 12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.060 -8.835 12.201 1.00 0.00 H new ATOM 472 N GLU A 30 -0.002 -11.888 9.921 1.00 0.00 N ATOM 473 CA GLU A 30 -0.933 -12.942 9.479 1.00 0.00 C ATOM 474 C GLU A 30 -0.745 -13.217 7.965 1.00 0.00 C ATOM 475 O GLU A 30 -0.733 -14.379 7.543 1.00 0.00 O ATOM 476 CB GLU A 30 -2.406 -12.576 9.835 1.00 0.00 C ATOM 477 CG GLU A 30 -2.852 -11.188 9.370 1.00 0.00 C ATOM 478 CD GLU A 30 -4.340 -10.890 9.580 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.150 -11.266 8.704 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.705 -10.290 10.613 1.00 0.00 O ATOM 0 H GLU A 30 -0.458 -11.012 10.176 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.704 -13.864 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.068 -13.322 9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.530 -12.639 10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.267 -10.437 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.620 -11.083 8.310 1.00 0.00 H new ATOM 487 N LEU A 31 -0.546 -12.133 7.176 1.00 0.00 N ATOM 488 CA LEU A 31 -0.241 -12.211 5.726 1.00 0.00 C ATOM 489 C LEU A 31 0.198 -10.835 5.203 1.00 0.00 C ATOM 490 O LEU A 31 -0.206 -9.823 5.756 1.00 0.00 O ATOM 491 CB LEU A 31 -1.443 -12.801 4.893 1.00 0.00 C ATOM 492 CG LEU A 31 -2.769 -11.958 4.643 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.228 -11.126 5.855 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.696 -11.087 3.381 1.00 0.00 C ATOM 0 H LEU A 31 -0.593 -11.177 7.528 1.00 0.00 H new ATOM 0 HA LEU A 31 0.587 -12.908 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.048 -13.070 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.743 -13.728 5.382 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.535 -12.717 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.138 -10.582 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.426 -11.789 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.446 -10.417 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.629 -10.536 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.869 -10.383 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.538 -11.722 2.509 1.00 0.00 H new ATOM 506 N HIS A 32 1.024 -10.800 4.142 1.00 0.00 N ATOM 507 CA HIS A 32 1.449 -9.522 3.511 1.00 0.00 C ATOM 508 C HIS A 32 2.139 -9.779 2.161 1.00 0.00 C ATOM 509 O HIS A 32 2.516 -10.908 1.859 1.00 0.00 O ATOM 510 CB HIS A 32 2.395 -8.706 4.453 1.00 0.00 C ATOM 511 CG HIS A 32 3.797 -9.262 4.614 1.00 0.00 C ATOM 512 ND1 HIS A 32 4.131 -10.285 5.468 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.957 -8.911 4.009 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.425 -10.526 5.364 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.938 -9.709 4.491 1.00 0.00 N ATOM 0 H HIS A 32 1.413 -11.633 3.700 1.00 0.00 H new ATOM 0 HA HIS A 32 0.550 -8.931 3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.469 -7.688 4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.932 -8.644 5.438 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.484 -10.779 6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.078 -8.131 3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.969 -11.279 5.914 1.00 0.00 H new ATOM 524 N LEU A 33 2.291 -8.712 1.357 1.00 0.00 N ATOM 525 CA LEU A 33 3.089 -8.741 0.107 1.00 0.00 C ATOM 526 C LEU A 33 4.589 -8.631 0.427 1.00 0.00 C ATOM 527 O LEU A 33 4.959 -7.817 1.265 1.00 0.00 O ATOM 528 CB LEU A 33 2.692 -7.565 -0.810 1.00 0.00 C ATOM 529 CG LEU A 33 1.302 -7.667 -1.476 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.890 -6.309 -2.068 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.274 -8.785 -2.555 1.00 0.00 C ATOM 0 H LEU A 33 1.867 -7.805 1.550 1.00 0.00 H new ATOM 0 HA LEU A 33 2.889 -9.686 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.726 -6.646 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.443 -7.472 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 33 0.576 -7.939 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.092 -6.398 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.849 -5.563 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.620 -6.002 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.282 -8.832 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.012 -8.565 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.508 -9.744 -2.092 1.00 0.00 H new ATOM 543 N PRO A 34 5.479 -9.365 -0.302 1.00 0.00 N ATOM 544 CA PRO A 34 6.926 -9.408 0.024 1.00 0.00 C ATOM 545 C PRO A 34 7.637 -8.067 -0.296 1.00 0.00 C ATOM 546 O PRO A 34 8.698 -7.772 0.254 1.00 0.00 O ATOM 547 CB PRO A 34 7.440 -10.568 -0.869 1.00 0.00 C ATOM 548 CG PRO A 34 6.537 -10.533 -2.066 1.00 0.00 C ATOM 549 CD PRO A 34 5.169 -10.159 -1.527 1.00 0.00 C ATOM 0 HA PRO A 34 7.122 -9.562 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.483 -10.422 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.381 -11.526 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.884 -9.804 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.511 -11.501 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.599 -9.575 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.575 -11.043 -1.292 1.00 0.00 H new ATOM 557 N ASN A 35 7.017 -7.266 -1.190 1.00 0.00 N ATOM 558 CA ASN A 35 7.522 -5.943 -1.619 1.00 0.00 C ATOM 559 C ASN A 35 6.898 -4.809 -0.779 1.00 0.00 C ATOM 560 O ASN A 35 7.217 -3.626 -0.988 1.00 0.00 O ATOM 561 CB ASN A 35 7.181 -5.718 -3.118 1.00 0.00 C ATOM 562 CG ASN A 35 7.699 -6.824 -4.046 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.743 -7.431 -3.804 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.956 -7.103 -5.103 1.00 0.00 N ATOM 0 H ASN A 35 6.139 -7.524 -1.640 1.00 0.00 H new ATOM 0 HA ASN A 35 8.602 -5.927 -1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.099 -5.643 -3.227 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.601 -4.764 -3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.242 -7.840 -5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.097 -6.581 -5.274 1.00 0.00 H new ATOM 571 N ALA A 36 5.974 -5.182 0.136 1.00 0.00 N ATOM 572 CA ALA A 36 5.258 -4.233 1.010 1.00 0.00 C ATOM 573 C ALA A 36 6.040 -3.950 2.304 1.00 0.00 C ATOM 574 O ALA A 36 6.355 -4.873 3.065 1.00 0.00 O ATOM 575 CB ALA A 36 3.848 -4.751 1.333 1.00 0.00 C ATOM 0 H ALA A 36 5.705 -6.154 0.287 1.00 0.00 H new ATOM 0 HA ALA A 36 5.168 -3.292 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.337 -4.037 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.284 -4.872 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.921 -5.712 1.842 1.00 0.00 H new ATOM 581 N THR A 37 6.343 -2.660 2.532 1.00 0.00 N ATOM 582 CA THR A 37 6.963 -2.170 3.771 1.00 0.00 C ATOM 583 C THR A 37 5.871 -1.929 4.828 1.00 0.00 C ATOM 584 O THR A 37 4.902 -1.217 4.553 1.00 0.00 O ATOM 585 CB THR A 37 7.743 -0.837 3.499 1.00 0.00 C ATOM 586 OG1 THR A 37 8.757 -1.072 2.506 1.00 0.00 O ATOM 587 CG2 THR A 37 8.389 -0.247 4.776 1.00 0.00 C ATOM 0 H THR A 37 6.161 -1.922 1.852 1.00 0.00 H new ATOM 0 HA THR A 37 7.667 -2.917 4.137 1.00 0.00 H new ATOM 0 HB THR A 37 7.019 -0.104 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.064 -0.215 2.142 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.915 0.674 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.613 -0.034 5.511 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.095 -0.966 5.192 1.00 0.00 H new ATOM 595 N LEU A 38 6.020 -2.543 6.017 1.00 0.00 N ATOM 596 CA LEU A 38 5.077 -2.353 7.133 1.00 0.00 C ATOM 597 C LEU A 38 5.101 -0.900 7.625 1.00 0.00 C ATOM 598 O LEU A 38 6.108 -0.443 8.175 1.00 0.00 O ATOM 599 CB LEU A 38 5.400 -3.309 8.311 1.00 0.00 C ATOM 600 CG LEU A 38 4.545 -3.118 9.618 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.024 -3.146 9.325 1.00 0.00 C ATOM 602 CD2 LEU A 38 4.926 -4.171 10.684 1.00 0.00 C ATOM 0 H LEU A 38 6.789 -3.178 6.229 1.00 0.00 H new ATOM 0 HA LEU A 38 4.080 -2.586 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.271 -4.334 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.452 -3.190 8.570 1.00 0.00 H new ATOM 0 HG LEU A 38 4.776 -2.130 10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.472 -3.011 10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.772 -2.342 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.757 -4.105 8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.322 -4.019 11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.744 -5.171 10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.981 -4.067 10.937 1.00 0.00 H new ATOM 614 N ILE A 39 3.995 -0.188 7.373 1.00 0.00 N ATOM 615 CA ILE A 39 3.717 1.142 7.937 1.00 0.00 C ATOM 616 C ILE A 39 2.225 1.201 8.287 1.00 0.00 C ATOM 617 O ILE A 39 1.370 0.785 7.499 1.00 0.00 O ATOM 618 CB ILE A 39 4.086 2.319 6.938 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.624 2.335 6.631 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.617 3.704 7.471 1.00 0.00 C ATOM 621 CD1 ILE A 39 6.075 3.340 5.587 1.00 0.00 C ATOM 0 H ILE A 39 3.253 -0.526 6.760 1.00 0.00 H new ATOM 0 HA ILE A 39 4.339 1.282 8.821 1.00 0.00 H new ATOM 0 HB ILE A 39 3.551 2.129 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.159 2.537 7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.921 1.339 6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.890 4.480 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.535 3.696 7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.097 3.907 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.154 3.266 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.577 3.130 4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.819 4.347 5.917 1.00 0.00 H new ATOM 633 N SER A 40 1.908 1.708 9.472 1.00 0.00 N ATOM 634 CA SER A 40 0.514 1.914 9.873 1.00 0.00 C ATOM 635 C SER A 40 -0.037 3.160 9.153 1.00 0.00 C ATOM 636 O SER A 40 0.640 4.196 9.102 1.00 0.00 O ATOM 637 CB SER A 40 0.406 2.061 11.405 1.00 0.00 C ATOM 638 OG SER A 40 0.956 0.935 12.074 1.00 0.00 O ATOM 0 H SER A 40 2.594 1.985 10.174 1.00 0.00 H new ATOM 0 HA SER A 40 -0.081 1.047 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.926 2.965 11.723 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.640 2.179 11.688 1.00 0.00 H new ATOM 0 HG SER A 40 0.875 1.058 13.043 1.00 0.00 H new ATOM 644 N VAL A 41 -1.252 3.038 8.570 1.00 0.00 N ATOM 645 CA VAL A 41 -2.003 4.183 7.984 1.00 0.00 C ATOM 646 C VAL A 41 -2.185 5.319 9.031 1.00 0.00 C ATOM 647 O VAL A 41 -2.281 6.502 8.681 1.00 0.00 O ATOM 648 CB VAL A 41 -3.403 3.703 7.420 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.249 3.008 8.521 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.185 4.866 6.739 1.00 0.00 C ATOM 0 H VAL A 41 -1.742 2.147 8.490 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.422 4.583 7.153 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.203 2.962 6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.203 2.691 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.711 2.138 8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.427 3.707 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.139 4.494 6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.364 5.659 7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.600 5.260 5.908 1.00 0.00 H new ATOM 660 N ASN A 42 -2.178 4.913 10.322 1.00 0.00 N ATOM 661 CA ASN A 42 -2.270 5.806 11.497 1.00 0.00 C ATOM 662 C ASN A 42 -1.077 6.787 11.565 1.00 0.00 C ATOM 663 O ASN A 42 -1.228 7.942 11.988 1.00 0.00 O ATOM 664 CB ASN A 42 -2.308 4.951 12.795 1.00 0.00 C ATOM 665 CG ASN A 42 -3.386 3.855 12.778 1.00 0.00 C ATOM 666 OD1 ASN A 42 -4.435 4.006 12.156 1.00 0.00 O ATOM 667 ND2 ASN A 42 -3.124 2.738 13.440 1.00 0.00 N ATOM 0 H ASN A 42 -2.106 3.929 10.580 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.184 6.392 11.402 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.333 4.488 12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.482 5.607 13.648 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.801 1.975 13.442 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.245 2.640 13.948 1.00 0.00 H new ATOM 674 N ASP A 43 0.107 6.297 11.142 1.00 0.00 N ATOM 675 CA ASP A 43 1.379 7.045 11.196 1.00 0.00 C ATOM 676 C ASP A 43 1.657 7.750 9.857 1.00 0.00 C ATOM 677 O ASP A 43 2.248 7.158 8.933 1.00 0.00 O ATOM 678 CB ASP A 43 2.561 6.099 11.569 1.00 0.00 C ATOM 679 CG ASP A 43 2.487 5.566 13.009 1.00 0.00 C ATOM 680 OD1 ASP A 43 1.685 4.641 13.268 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.222 6.076 13.890 1.00 0.00 O ATOM 0 H ASP A 43 0.207 5.361 10.749 1.00 0.00 H new ATOM 0 HA ASP A 43 1.289 7.806 11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.574 5.256 10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.501 6.635 11.436 1.00 0.00 H new ATOM 686 N GLN A 44 1.202 9.012 9.754 1.00 0.00 N ATOM 687 CA GLN A 44 1.561 9.905 8.639 1.00 0.00 C ATOM 688 C GLN A 44 3.071 10.185 8.667 1.00 0.00 C ATOM 689 O GLN A 44 3.710 10.227 7.630 1.00 0.00 O ATOM 690 CB GLN A 44 0.777 11.251 8.691 1.00 0.00 C ATOM 691 CG GLN A 44 -0.726 11.166 8.357 1.00 0.00 C ATOM 692 CD GLN A 44 -1.575 10.492 9.439 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.076 11.152 10.351 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.766 9.186 9.337 1.00 0.00 N ATOM 0 H GLN A 44 0.578 9.439 10.438 1.00 0.00 H new ATOM 0 HA GLN A 44 1.290 9.401 7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.884 11.674 9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.245 11.949 7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.106 12.173 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.848 10.619 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.338 8.666 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.341 8.699 10.025 1.00 0.00 H new ATOM 703 N GLU A 45 3.606 10.373 9.886 1.00 0.00 N ATOM 704 CA GLU A 45 5.036 10.672 10.130 1.00 0.00 C ATOM 705 C GLU A 45 5.979 9.583 9.558 1.00 0.00 C ATOM 706 O GLU A 45 6.997 9.899 8.934 1.00 0.00 O ATOM 707 CB GLU A 45 5.270 10.862 11.655 1.00 0.00 C ATOM 708 CG GLU A 45 4.794 9.678 12.527 1.00 0.00 C ATOM 709 CD GLU A 45 5.097 9.853 14.022 1.00 0.00 C ATOM 710 OE1 GLU A 45 6.220 9.515 14.454 1.00 0.00 O ATOM 711 OE2 GLU A 45 4.218 10.320 14.775 1.00 0.00 O ATOM 0 H GLU A 45 3.054 10.322 10.743 1.00 0.00 H new ATOM 0 HA GLU A 45 5.280 11.594 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.334 11.021 11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.755 11.766 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.720 9.550 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.270 8.763 12.173 1.00 0.00 H new ATOM 718 N LYS A 46 5.604 8.308 9.761 1.00 0.00 N ATOM 719 CA LYS A 46 6.399 7.144 9.321 1.00 0.00 C ATOM 720 C LYS A 46 6.280 6.952 7.804 1.00 0.00 C ATOM 721 O LYS A 46 7.267 6.649 7.118 1.00 0.00 O ATOM 722 CB LYS A 46 5.921 5.869 10.070 1.00 0.00 C ATOM 723 CG LYS A 46 6.628 4.529 9.715 1.00 0.00 C ATOM 724 CD LYS A 46 8.134 4.453 10.119 1.00 0.00 C ATOM 725 CE LYS A 46 9.112 4.945 9.036 1.00 0.00 C ATOM 726 NZ LYS A 46 10.518 4.972 9.522 1.00 0.00 N ATOM 0 H LYS A 46 4.738 8.053 10.236 1.00 0.00 H new ATOM 0 HA LYS A 46 7.448 7.323 9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.040 6.041 11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.854 5.748 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.094 3.713 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.546 4.366 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.285 5.044 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.378 3.421 10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.043 4.295 8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.821 5.945 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.053 5.692 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.530 5.203 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.954 4.040 9.374 1.00 0.00 H new ATOM 740 N LEU A 47 5.062 7.139 7.292 1.00 0.00 N ATOM 741 CA LEU A 47 4.765 7.003 5.860 1.00 0.00 C ATOM 742 C LEU A 47 5.530 8.068 5.051 1.00 0.00 C ATOM 743 O LEU A 47 6.160 7.775 4.026 1.00 0.00 O ATOM 744 CB LEU A 47 3.239 7.126 5.656 1.00 0.00 C ATOM 745 CG LEU A 47 2.691 6.692 4.268 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.098 5.242 3.920 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.161 6.857 4.229 1.00 0.00 C ATOM 0 H LEU A 47 4.251 7.389 7.857 1.00 0.00 H new ATOM 0 HA LEU A 47 5.092 6.027 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.743 6.529 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.954 8.164 5.827 1.00 0.00 H new ATOM 0 HG LEU A 47 3.135 7.340 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.696 4.976 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.185 5.164 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.700 4.562 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.787 6.550 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.708 6.236 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.903 7.901 4.405 1.00 0.00 H new ATOM 759 N ALA A 48 5.495 9.297 5.587 1.00 0.00 N ATOM 760 CA ALA A 48 6.149 10.477 5.013 1.00 0.00 C ATOM 761 C ALA A 48 7.672 10.361 5.080 1.00 0.00 C ATOM 762 O ALA A 48 8.360 10.889 4.217 1.00 0.00 O ATOM 763 CB ALA A 48 5.687 11.734 5.752 1.00 0.00 C ATOM 0 H ALA A 48 4.998 9.500 6.454 1.00 0.00 H new ATOM 0 HA ALA A 48 5.865 10.544 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.175 12.609 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.606 11.837 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.950 11.653 6.807 1.00 0.00 H new ATOM 769 N ASP A 49 8.174 9.683 6.134 1.00 0.00 N ATOM 770 CA ASP A 49 9.613 9.407 6.308 1.00 0.00 C ATOM 771 C ASP A 49 10.132 8.540 5.155 1.00 0.00 C ATOM 772 O ASP A 49 11.104 8.903 4.487 1.00 0.00 O ATOM 773 CB ASP A 49 9.876 8.703 7.667 1.00 0.00 C ATOM 774 CG ASP A 49 11.339 8.252 7.856 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.207 9.113 8.118 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.632 7.040 7.710 1.00 0.00 O ATOM 0 H ASP A 49 7.593 9.313 6.886 1.00 0.00 H new ATOM 0 HA ASP A 49 10.147 10.357 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.606 9.382 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.223 7.834 7.749 1.00 0.00 H new ATOM 781 N PHE A 50 9.433 7.409 4.926 1.00 0.00 N ATOM 782 CA PHE A 50 9.770 6.434 3.870 1.00 0.00 C ATOM 783 C PHE A 50 9.793 7.109 2.483 1.00 0.00 C ATOM 784 O PHE A 50 10.619 6.775 1.617 1.00 0.00 O ATOM 785 CB PHE A 50 8.752 5.265 3.889 1.00 0.00 C ATOM 786 CG PHE A 50 9.072 4.131 2.905 1.00 0.00 C ATOM 787 CD1 PHE A 50 10.063 3.192 3.202 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.403 4.016 1.682 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.364 2.173 2.319 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.707 2.994 0.802 1.00 0.00 C ATOM 791 CZ PHE A 50 9.691 2.077 1.120 1.00 0.00 C ATOM 0 H PHE A 50 8.613 7.146 5.473 1.00 0.00 H new ATOM 0 HA PHE A 50 10.767 6.040 4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.708 4.853 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.761 5.658 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.602 3.264 4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.640 4.734 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.127 1.451 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.175 2.912 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.933 1.284 0.428 1.00 0.00 H new ATOM 801 N LEU A 51 8.868 8.060 2.292 1.00 0.00 N ATOM 802 CA LEU A 51 8.779 8.845 1.056 1.00 0.00 C ATOM 803 C LEU A 51 9.895 9.903 0.978 1.00 0.00 C ATOM 804 O LEU A 51 10.480 10.090 -0.081 1.00 0.00 O ATOM 805 CB LEU A 51 7.383 9.489 0.926 1.00 0.00 C ATOM 806 CG LEU A 51 6.190 8.485 0.862 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.852 9.220 0.726 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.368 7.453 -0.275 1.00 0.00 C ATOM 0 H LEU A 51 8.164 8.305 2.988 1.00 0.00 H new ATOM 0 HA LEU A 51 8.921 8.168 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.229 10.158 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.367 10.105 0.027 1.00 0.00 H new ATOM 0 HG LEU A 51 6.182 7.937 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.040 8.494 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.708 9.876 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.855 9.814 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.516 6.773 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.429 7.972 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.284 6.885 -0.111 1.00 0.00 H new ATOM 820 N SER A 52 10.217 10.532 2.123 1.00 0.00 N ATOM 821 CA SER A 52 11.228 11.610 2.220 1.00 0.00 C ATOM 822 C SER A 52 12.649 11.105 1.892 1.00 0.00 C ATOM 823 O SER A 52 13.516 11.901 1.535 1.00 0.00 O ATOM 824 CB SER A 52 11.198 12.238 3.635 1.00 0.00 C ATOM 825 OG SER A 52 12.154 13.283 3.771 1.00 0.00 O ATOM 0 H SER A 52 9.781 10.307 3.017 1.00 0.00 H new ATOM 0 HA SER A 52 10.973 12.367 1.479 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.201 12.629 3.838 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.395 11.466 4.379 1.00 0.00 H new ATOM 0 HG SER A 52 12.105 13.656 4.676 1.00 0.00 H new ATOM 831 N GLN A 53 12.866 9.782 2.032 1.00 0.00 N ATOM 832 CA GLN A 53 14.176 9.130 1.789 1.00 0.00 C ATOM 833 C GLN A 53 14.683 9.302 0.331 1.00 0.00 C ATOM 834 O GLN A 53 15.897 9.333 0.093 1.00 0.00 O ATOM 835 CB GLN A 53 14.094 7.621 2.156 1.00 0.00 C ATOM 836 CG GLN A 53 13.708 7.328 3.624 1.00 0.00 C ATOM 837 CD GLN A 53 14.661 7.928 4.671 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.866 8.057 4.444 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.128 8.308 5.825 1.00 0.00 N ATOM 0 H GLN A 53 12.136 9.129 2.318 1.00 0.00 H new ATOM 0 HA GLN A 53 14.902 9.630 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.366 7.142 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.060 7.159 1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.704 7.711 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.667 6.248 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.128 8.191 5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.718 8.718 6.549 1.00 0.00 H new ATOM 848 N HIS A 54 13.750 9.394 -0.638 1.00 0.00 N ATOM 849 CA HIS A 54 14.085 9.552 -2.080 1.00 0.00 C ATOM 850 C HIS A 54 13.131 10.546 -2.748 1.00 0.00 C ATOM 851 O HIS A 54 13.575 11.422 -3.493 1.00 0.00 O ATOM 852 CB HIS A 54 14.054 8.173 -2.828 1.00 0.00 C ATOM 853 CG HIS A 54 15.313 7.347 -2.659 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.349 7.336 -3.574 1.00 0.00 N ATOM 855 CD2 HIS A 54 15.697 6.506 -1.672 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.308 6.540 -3.140 1.00 0.00 C ATOM 857 NE2 HIS A 54 16.934 6.026 -1.989 1.00 0.00 N ATOM 0 H HIS A 54 12.748 9.362 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 54 15.100 9.945 -2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.203 7.596 -2.467 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.890 8.352 -3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.126 6.258 -0.790 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.242 6.344 -3.645 1.00 0.00 H new ATOM 0 HE2 HIS A 54 17.480 5.375 -1.425 1.00 0.00 H new ATOM 866 N LYS A 55 11.823 10.370 -2.462 1.00 0.00 N ATOM 867 CA LYS A 55 10.687 11.131 -3.048 1.00 0.00 C ATOM 868 C LYS A 55 10.422 10.729 -4.505 1.00 0.00 C ATOM 869 O LYS A 55 9.294 10.343 -4.852 1.00 0.00 O ATOM 870 CB LYS A 55 10.840 12.671 -2.900 1.00 0.00 C ATOM 871 CG LYS A 55 10.651 13.199 -1.465 1.00 0.00 C ATOM 872 CD LYS A 55 10.728 14.743 -1.384 1.00 0.00 C ATOM 873 CE LYS A 55 9.704 15.454 -2.292 1.00 0.00 C ATOM 874 NZ LYS A 55 9.891 16.930 -2.300 1.00 0.00 N ATOM 0 H LYS A 55 11.512 9.668 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 55 9.810 10.855 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.830 12.960 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.115 13.159 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.686 12.867 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.415 12.766 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.566 15.054 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.732 15.065 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.796 15.072 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.695 15.219 -1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.182 17.366 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.778 17.299 -1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.844 17.157 -2.648 1.00 0.00 H new ATOM 888 N ASP A 56 11.461 10.809 -5.348 1.00 0.00 N ATOM 889 CA ASP A 56 11.389 10.405 -6.751 1.00 0.00 C ATOM 890 C ASP A 56 11.520 8.868 -6.862 1.00 0.00 C ATOM 891 O ASP A 56 12.575 8.331 -7.219 1.00 0.00 O ATOM 892 CB ASP A 56 12.483 11.137 -7.582 1.00 0.00 C ATOM 893 CG ASP A 56 12.289 10.960 -9.099 1.00 0.00 C ATOM 894 OD1 ASP A 56 11.482 11.703 -9.691 1.00 0.00 O ATOM 895 OD2 ASP A 56 12.911 10.060 -9.697 1.00 0.00 O ATOM 0 H ASP A 56 12.378 11.158 -5.070 1.00 0.00 H new ATOM 0 HA ASP A 56 10.420 10.691 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.469 12.199 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.465 10.758 -7.298 1.00 0.00 H new ATOM 900 N LYS A 57 10.449 8.176 -6.465 1.00 0.00 N ATOM 901 CA LYS A 57 10.295 6.723 -6.635 1.00 0.00 C ATOM 902 C LYS A 57 8.786 6.392 -6.635 1.00 0.00 C ATOM 903 O LYS A 57 7.976 7.109 -6.021 1.00 0.00 O ATOM 904 CB LYS A 57 11.049 5.897 -5.543 1.00 0.00 C ATOM 905 CG LYS A 57 10.417 5.881 -4.131 1.00 0.00 C ATOM 906 CD LYS A 57 10.498 7.237 -3.401 1.00 0.00 C ATOM 907 CE LYS A 57 9.770 7.232 -2.052 1.00 0.00 C ATOM 908 NZ LYS A 57 10.228 6.139 -1.145 1.00 0.00 N ATOM 0 H LYS A 57 9.649 8.614 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 57 10.749 6.437 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.133 4.867 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.063 6.288 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.371 5.585 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.916 5.123 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.545 7.497 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.070 8.012 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.922 8.193 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.699 7.129 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.256 6.489 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.568 5.337 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.179 5.828 -1.429 1.00 0.00 H new ATOM 922 N LYS A 58 8.426 5.302 -7.307 1.00 0.00 N ATOM 923 CA LYS A 58 7.035 4.892 -7.508 1.00 0.00 C ATOM 924 C LYS A 58 6.582 3.988 -6.349 1.00 0.00 C ATOM 925 O LYS A 58 6.865 2.787 -6.342 1.00 0.00 O ATOM 926 CB LYS A 58 6.917 4.176 -8.861 1.00 0.00 C ATOM 927 CG LYS A 58 5.469 3.945 -9.324 1.00 0.00 C ATOM 928 CD LYS A 58 5.384 3.665 -10.833 1.00 0.00 C ATOM 929 CE LYS A 58 6.288 2.501 -11.281 1.00 0.00 C ATOM 930 NZ LYS A 58 6.140 2.201 -12.724 1.00 0.00 N ATOM 0 H LYS A 58 9.101 4.668 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 58 6.382 5.765 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.440 4.762 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.424 3.214 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.043 3.105 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.867 4.822 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.351 3.438 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.663 4.566 -11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.328 2.748 -11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.046 1.611 -10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.073 1.989 -13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.514 1.379 -12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.729 3.024 -13.209 1.00 0.00 H new ATOM 944 N VAL A 59 5.932 4.587 -5.339 1.00 0.00 N ATOM 945 CA VAL A 59 5.423 3.855 -4.166 1.00 0.00 C ATOM 946 C VAL A 59 3.909 3.627 -4.284 1.00 0.00 C ATOM 947 O VAL A 59 3.155 4.549 -4.610 1.00 0.00 O ATOM 948 CB VAL A 59 5.787 4.591 -2.821 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.116 3.940 -1.590 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.317 4.619 -2.630 1.00 0.00 C ATOM 0 H VAL A 59 5.744 5.589 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 59 5.912 2.881 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 59 5.404 5.609 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.400 4.485 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.033 3.971 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.442 2.903 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.558 5.130 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.698 3.598 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.778 5.149 -3.464 1.00 0.00 H new ATOM 960 N LEU A 60 3.496 2.378 -4.012 1.00 0.00 N ATOM 961 CA LEU A 60 2.096 1.936 -4.070 1.00 0.00 C ATOM 962 C LEU A 60 1.647 1.543 -2.647 1.00 0.00 C ATOM 963 O LEU A 60 2.185 0.609 -2.064 1.00 0.00 O ATOM 964 CB LEU A 60 1.995 0.754 -5.097 1.00 0.00 C ATOM 965 CG LEU A 60 0.595 0.080 -5.361 1.00 0.00 C ATOM 966 CD1 LEU A 60 0.223 -0.942 -4.266 1.00 0.00 C ATOM 967 CD2 LEU A 60 -0.499 1.142 -5.556 1.00 0.00 C ATOM 0 H LEU A 60 4.139 1.634 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 60 1.428 2.726 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.369 1.118 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.678 -0.028 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 60 0.675 -0.485 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.749 -1.379 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.976 -1.729 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.179 -0.440 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.455 0.651 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.571 1.759 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.247 1.771 -6.410 1.00 0.00 H new ATOM 979 N LEU A 61 0.652 2.258 -2.106 1.00 0.00 N ATOM 980 CA LEU A 61 0.123 2.017 -0.747 1.00 0.00 C ATOM 981 C LEU A 61 -1.081 1.061 -0.831 1.00 0.00 C ATOM 982 O LEU A 61 -2.171 1.485 -1.205 1.00 0.00 O ATOM 983 CB LEU A 61 -0.290 3.377 -0.101 1.00 0.00 C ATOM 984 CG LEU A 61 0.773 4.523 -0.170 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.252 5.814 0.487 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.108 4.092 0.457 1.00 0.00 C ATOM 0 H LEU A 61 0.187 3.023 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 61 0.890 1.557 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.201 3.725 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.535 3.199 0.946 1.00 0.00 H new ATOM 0 HG LEU A 61 0.952 4.732 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.015 6.589 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.649 6.147 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.020 5.621 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.822 4.913 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.951 3.830 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.499 3.227 -0.078 1.00 0.00 H new ATOM 998 N HIS A 62 -0.882 -0.237 -0.533 1.00 0.00 N ATOM 999 CA HIS A 62 -1.968 -1.239 -0.654 1.00 0.00 C ATOM 1000 C HIS A 62 -2.733 -1.381 0.674 1.00 0.00 C ATOM 1001 O HIS A 62 -2.119 -1.433 1.752 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.429 -2.620 -1.141 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.896 -3.531 -0.059 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.680 -4.465 0.583 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.330 -3.656 0.486 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.960 -5.109 1.468 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.267 -4.644 1.429 1.00 0.00 N ATOM 0 H HIS A 62 0.008 -0.617 -0.210 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.664 -0.878 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.232 -3.139 -1.665 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.635 -2.445 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.205 -3.079 0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.317 -5.892 2.121 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.044 -4.966 2.006 1.00 0.00 H new ATOM 1016 N CYS A 63 -4.069 -1.463 0.584 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.957 -1.643 1.764 1.00 0.00 C ATOM 1018 C CYS A 63 -5.736 -2.962 1.679 1.00 0.00 C ATOM 1019 O CYS A 63 -5.868 -3.534 0.593 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.923 -0.458 1.873 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.202 -0.611 3.135 1.00 0.00 S ATOM 0 H CYS A 63 -4.572 -1.408 -0.302 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.335 -1.683 2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.344 0.443 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.406 -0.316 0.906 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.658 -0.950 4.266 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.183 -3.465 2.855 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.063 -4.651 2.954 1.00 0.00 C ATOM 1029 C ARG A 64 -8.370 -4.442 2.155 1.00 0.00 C ATOM 1030 O ARG A 64 -8.817 -5.334 1.439 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.378 -4.972 4.439 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.212 -6.253 4.648 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.500 -6.535 6.121 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.328 -5.479 6.725 1.00 0.00 N ATOM 1035 CZ ARG A 64 -9.179 -4.982 7.959 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -8.247 -5.442 8.775 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -9.996 -4.037 8.383 1.00 0.00 N ATOM 0 H ARG A 64 -5.943 -3.059 3.760 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.535 -5.500 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.439 -5.070 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.913 -4.129 4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.155 -6.160 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.681 -7.102 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.008 -7.495 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.560 -6.617 6.666 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.080 -5.093 6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.624 -6.190 8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.150 -5.049 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.735 -3.690 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.889 -3.654 9.322 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.981 -3.256 2.299 1.00 0.00 N ATOM 1052 CA ALA A 65 -10.185 -2.876 1.527 1.00 0.00 C ATOM 1053 C ALA A 65 -9.794 -2.001 0.322 1.00 0.00 C ATOM 1054 O ALA A 65 -10.029 -2.364 -0.840 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.185 -2.139 2.436 1.00 0.00 C ATOM 0 H ALA A 65 -8.662 -2.536 2.947 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.663 -3.780 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.067 -1.864 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.479 -2.792 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.718 -1.239 2.836 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.174 -0.853 0.630 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.802 0.153 -0.370 1.00 0.00 C ATOM 1063 C GLY A 66 -8.969 1.569 0.155 1.00 0.00 C ATOM 1064 O GLY A 66 -8.372 2.513 -0.385 1.00 0.00 O ATOM 0 H GLY A 66 -8.916 -0.597 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.766 -0.002 -0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.416 0.022 -1.261 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.797 1.718 1.211 1.00 0.00 N ATOM 1069 CA ARG A 67 -10.071 3.018 1.833 1.00 0.00 C ATOM 1070 C ARG A 67 -8.815 3.570 2.533 1.00 0.00 C ATOM 1071 O ARG A 67 -8.447 4.713 2.285 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.268 2.920 2.819 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.633 4.253 3.520 1.00 0.00 C ATOM 1074 CD ARG A 67 -12.030 5.385 2.528 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.449 6.682 2.909 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.582 7.824 2.226 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.393 7.909 1.179 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.908 8.895 2.612 1.00 0.00 N ATOM 0 H ARG A 67 -10.289 0.940 1.650 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.346 3.719 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.141 2.559 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.035 2.175 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.459 4.078 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.784 4.585 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.698 5.120 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.116 5.471 2.492 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.898 6.713 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.929 7.094 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.480 8.790 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.293 8.845 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.003 9.770 2.097 1.00 0.00 H new ATOM 1092 N ARG A 68 -8.144 2.736 3.370 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.905 3.155 4.093 1.00 0.00 C ATOM 1094 C ARG A 68 -5.779 3.516 3.106 1.00 0.00 C ATOM 1095 O ARG A 68 -4.892 4.293 3.440 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.375 2.050 5.044 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.380 1.511 6.072 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.839 2.557 7.106 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.670 1.942 8.162 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.126 2.560 9.269 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -8.824 3.830 9.525 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -9.883 1.888 10.127 1.00 0.00 N ATOM 0 H ARG A 68 -8.434 1.777 3.562 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.186 4.028 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.021 1.216 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.511 2.443 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.254 1.128 5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.930 0.668 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.968 3.032 7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.406 3.342 6.605 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.921 0.961 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.237 4.355 8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.180 4.279 10.369 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.115 0.911 9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.233 2.348 10.968 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.818 2.887 1.916 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.878 3.163 0.818 1.00 0.00 C ATOM 1118 C ALA A 69 -5.034 4.610 0.357 1.00 0.00 C ATOM 1119 O ALA A 69 -4.049 5.355 0.282 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.117 2.186 -0.344 1.00 0.00 C ATOM 0 H ALA A 69 -6.507 2.170 1.690 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.857 3.021 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.415 2.401 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.968 1.164 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.137 2.300 -0.711 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.298 4.984 0.064 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.666 6.355 -0.306 1.00 0.00 C ATOM 1128 C LEU A 70 -6.264 7.330 0.814 1.00 0.00 C ATOM 1129 O LEU A 70 -5.482 8.235 0.567 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.186 6.431 -0.638 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.765 7.837 -1.028 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -7.955 8.516 -2.158 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.257 7.731 -1.427 1.00 0.00 C ATOM 0 H LEU A 70 -7.088 4.339 0.079 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.123 6.650 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.387 5.743 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.740 6.066 0.227 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.679 8.466 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.396 9.485 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.924 8.655 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.973 7.886 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.634 8.719 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.358 7.062 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.831 7.337 -0.588 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.753 7.059 2.045 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.483 7.864 3.266 1.00 0.00 C ATOM 1147 C ASP A 71 -4.998 8.207 3.435 1.00 0.00 C ATOM 1148 O ASP A 71 -4.630 9.373 3.635 1.00 0.00 O ATOM 1149 CB ASP A 71 -6.977 7.084 4.520 1.00 0.00 C ATOM 1150 CG ASP A 71 -8.497 7.131 4.702 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -9.050 8.244 4.819 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -9.142 6.070 4.746 1.00 0.00 O ATOM 0 H ASP A 71 -7.359 6.259 2.225 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.023 8.805 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.659 6.044 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.499 7.497 5.408 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.173 7.161 3.348 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.720 7.247 3.484 1.00 0.00 C ATOM 1159 C ALA A 72 -2.124 8.155 2.396 1.00 0.00 C ATOM 1160 O ALA A 72 -1.367 9.090 2.695 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.135 5.832 3.416 1.00 0.00 C ATOM 0 H ALA A 72 -4.505 6.212 3.177 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.465 7.692 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.051 5.881 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.547 5.229 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.391 5.378 2.458 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.528 7.895 1.139 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.045 8.630 -0.035 1.00 0.00 C ATOM 1169 C ALA A 73 -2.441 10.111 0.022 1.00 0.00 C ATOM 1170 O ALA A 73 -1.657 10.963 -0.399 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.558 7.970 -1.325 1.00 0.00 C ATOM 0 H ALA A 73 -3.203 7.164 0.913 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.956 8.589 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.192 8.526 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.198 6.942 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.648 7.973 -1.327 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.653 10.405 0.559 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.165 11.789 0.666 1.00 0.00 C ATOM 1179 C LYS A 74 -3.257 12.587 1.574 1.00 0.00 C ATOM 1180 O LYS A 74 -2.693 13.586 1.147 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.635 11.850 1.167 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.637 11.071 0.290 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.115 11.366 0.625 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.561 12.747 0.130 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.984 13.022 0.447 1.00 0.00 N ATOM 0 H LYS A 74 -4.292 9.699 0.924 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.166 12.222 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.677 11.457 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.947 12.893 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.455 11.314 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.454 10.003 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.747 10.600 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.260 11.305 1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.934 13.514 0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.412 12.811 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.242 13.966 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.586 12.306 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.123 12.988 1.477 1.00 0.00 H new ATOM 1199 N SER A 75 -3.056 12.052 2.786 1.00 0.00 N ATOM 1200 CA SER A 75 -2.206 12.654 3.821 1.00 0.00 C ATOM 1201 C SER A 75 -0.799 13.006 3.281 1.00 0.00 C ATOM 1202 O SER A 75 -0.236 14.039 3.636 1.00 0.00 O ATOM 1203 CB SER A 75 -2.114 11.676 5.014 1.00 0.00 C ATOM 1204 OG SER A 75 -3.402 11.374 5.531 1.00 0.00 O ATOM 0 H SER A 75 -3.486 11.175 3.079 1.00 0.00 H new ATOM 0 HA SER A 75 -2.655 13.593 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.622 10.757 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.497 12.113 5.799 1.00 0.00 H new ATOM 0 HG SER A 75 -3.820 10.678 4.982 1.00 0.00 H new ATOM 1210 N MET A 76 -0.272 12.149 2.382 1.00 0.00 N ATOM 1211 CA MET A 76 1.061 12.337 1.765 1.00 0.00 C ATOM 1212 C MET A 76 1.047 13.426 0.670 1.00 0.00 C ATOM 1213 O MET A 76 1.978 14.233 0.589 1.00 0.00 O ATOM 1214 CB MET A 76 1.562 11.001 1.183 1.00 0.00 C ATOM 1215 CG MET A 76 1.707 9.870 2.207 1.00 0.00 C ATOM 1216 SD MET A 76 2.842 10.281 3.561 1.00 0.00 S ATOM 1217 CE MET A 76 1.724 10.634 4.926 1.00 0.00 C ATOM 0 H MET A 76 -0.755 11.309 2.063 1.00 0.00 H new ATOM 0 HA MET A 76 1.742 12.674 2.546 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.873 10.679 0.402 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.528 11.167 0.707 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.727 9.634 2.621 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.064 8.973 1.701 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.158 11.406 5.562 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.769 10.982 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.567 9.728 5.511 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.004 13.424 -0.179 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.201 14.454 -1.232 1.00 0.00 C ATOM 1229 C HIS A 77 -0.417 15.857 -0.619 1.00 0.00 C ATOM 1230 O HIS A 77 -0.107 16.868 -1.256 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.375 14.072 -2.184 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.045 13.049 -3.252 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.166 13.314 -4.602 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.648 11.753 -3.171 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.870 12.231 -5.292 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.552 11.275 -4.448 1.00 0.00 N ATOM 0 H HIS A 77 -0.737 12.715 -0.157 1.00 0.00 H new ATOM 0 HA HIS A 77 0.712 14.491 -1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.198 13.689 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.733 14.978 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.445 11.202 -2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.886 12.144 -6.368 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.277 10.327 -4.705 1.00 0.00 H new ATOM 1245 N GLU A 78 -0.941 15.891 0.623 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.117 17.130 1.405 1.00 0.00 C ATOM 1247 C GLU A 78 0.252 17.702 1.833 1.00 0.00 C ATOM 1248 O GLU A 78 0.440 18.927 1.873 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.016 16.850 2.645 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.430 16.319 2.308 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.355 17.356 1.649 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -4.313 17.520 0.407 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -5.136 18.012 2.371 1.00 0.00 O ATOM 0 H GLU A 78 -1.256 15.054 1.114 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.609 17.876 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.513 16.126 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.115 17.770 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.334 15.461 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.899 15.961 3.225 1.00 0.00 H new ATOM 1260 N LEU A 79 1.202 16.791 2.131 1.00 0.00 N ATOM 1261 CA LEU A 79 2.582 17.154 2.530 1.00 0.00 C ATOM 1262 C LEU A 79 3.429 17.577 1.321 1.00 0.00 C ATOM 1263 O LEU A 79 4.389 18.335 1.470 1.00 0.00 O ATOM 1264 CB LEU A 79 3.254 15.962 3.251 1.00 0.00 C ATOM 1265 CG LEU A 79 2.499 15.439 4.506 1.00 0.00 C ATOM 1266 CD1 LEU A 79 3.155 14.177 5.088 1.00 0.00 C ATOM 1267 CD2 LEU A 79 2.348 16.538 5.581 1.00 0.00 C ATOM 0 H LEU A 79 1.037 15.785 2.103 1.00 0.00 H new ATOM 0 HA LEU A 79 2.519 18.005 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.360 15.141 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.260 16.258 3.548 1.00 0.00 H new ATOM 0 HG LEU A 79 1.498 15.161 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.595 13.846 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.154 13.387 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.182 14.401 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.816 16.134 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.335 16.880 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.787 17.376 5.168 1.00 0.00 H new ATOM 1279 N GLY A 80 3.062 17.076 0.126 1.00 0.00 N ATOM 1280 CA GLY A 80 3.748 17.431 -1.126 1.00 0.00 C ATOM 1281 C GLY A 80 4.294 16.223 -1.879 1.00 0.00 C ATOM 1282 O GLY A 80 4.862 16.385 -2.964 1.00 0.00 O ATOM 0 H GLY A 80 2.290 16.421 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.055 17.970 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.569 18.112 -0.902 1.00 0.00 H new ATOM 1286 N TYR A 81 4.141 15.010 -1.305 1.00 0.00 N ATOM 1287 CA TYR A 81 4.543 13.749 -1.977 1.00 0.00 C ATOM 1288 C TYR A 81 3.462 13.333 -2.995 1.00 0.00 C ATOM 1289 O TYR A 81 2.353 13.866 -2.977 1.00 0.00 O ATOM 1290 CB TYR A 81 4.753 12.621 -0.939 1.00 0.00 C ATOM 1291 CG TYR A 81 5.702 12.985 0.213 1.00 0.00 C ATOM 1292 CD1 TYR A 81 7.077 13.139 0.001 1.00 0.00 C ATOM 1293 CD2 TYR A 81 5.224 13.179 1.512 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.925 13.475 1.037 1.00 0.00 C ATOM 1295 CE2 TYR A 81 6.072 13.520 2.544 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.420 13.660 2.304 1.00 0.00 C ATOM 1297 OH TYR A 81 8.265 14.012 3.326 1.00 0.00 O ATOM 0 H TYR A 81 3.742 14.874 -0.376 1.00 0.00 H new ATOM 0 HA TYR A 81 5.485 13.917 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.785 12.343 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.144 11.741 -1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.481 12.992 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.169 13.059 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.983 13.593 0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.680 13.677 3.538 1.00 0.00 H new ATOM 0 HH TYR A 81 7.753 14.105 4.156 1.00 0.00 H new ATOM 1307 N THR A 82 3.776 12.363 -3.873 1.00 0.00 N ATOM 1308 CA THR A 82 2.811 11.845 -4.873 1.00 0.00 C ATOM 1309 C THR A 82 2.870 10.290 -4.983 1.00 0.00 C ATOM 1310 O THR A 82 3.206 9.752 -6.049 1.00 0.00 O ATOM 1311 CB THR A 82 3.047 12.518 -6.282 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.454 12.506 -6.598 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.514 13.966 -6.344 1.00 0.00 C ATOM 0 H THR A 82 4.693 11.918 -3.914 1.00 0.00 H new ATOM 0 HA THR A 82 1.811 12.109 -4.529 1.00 0.00 H new ATOM 0 HB THR A 82 2.490 11.935 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.596 12.923 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.702 14.381 -7.334 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.442 13.968 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.021 14.573 -5.594 1.00 0.00 H new ATOM 1321 N PRO A 83 2.561 9.522 -3.874 1.00 0.00 N ATOM 1322 CA PRO A 83 2.404 8.050 -3.958 1.00 0.00 C ATOM 1323 C PRO A 83 1.046 7.640 -4.572 1.00 0.00 C ATOM 1324 O PRO A 83 0.058 8.386 -4.497 1.00 0.00 O ATOM 1325 CB PRO A 83 2.497 7.603 -2.478 1.00 0.00 C ATOM 1326 CG PRO A 83 1.937 8.764 -1.718 1.00 0.00 C ATOM 1327 CD PRO A 83 2.392 9.996 -2.467 1.00 0.00 C ATOM 0 HA PRO A 83 3.152 7.589 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.924 6.693 -2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.526 7.394 -2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.849 8.714 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.301 8.773 -0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.656 10.797 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.326 10.387 -2.063 1.00 0.00 H new ATOM 1335 N TYR A 84 1.029 6.451 -5.179 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.196 5.790 -5.671 1.00 0.00 C ATOM 1337 C TYR A 84 -0.801 4.958 -4.534 1.00 0.00 C ATOM 1338 O TYR A 84 -0.199 4.836 -3.454 1.00 0.00 O ATOM 1339 CB TYR A 84 0.141 4.882 -6.884 1.00 0.00 C ATOM 1340 CG TYR A 84 0.809 5.631 -8.047 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.195 5.834 -8.077 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.056 6.160 -9.101 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.795 6.527 -9.111 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.655 6.853 -10.133 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.023 7.037 -10.134 1.00 0.00 C ATOM 1346 OH TYR A 84 2.626 7.727 -11.164 1.00 0.00 O ATOM 0 H TYR A 84 1.875 5.907 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.917 6.541 -5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.800 4.079 -6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.776 4.415 -7.243 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.806 5.442 -7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.015 6.023 -9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.866 6.669 -9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.055 7.251 -10.938 1.00 0.00 H new ATOM 0 HH TYR A 84 1.945 8.020 -11.805 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.979 4.369 -4.777 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.670 3.558 -3.766 1.00 0.00 C ATOM 1358 C TYR A 85 -3.489 2.449 -4.441 1.00 0.00 C ATOM 1359 O TYR A 85 -3.939 2.604 -5.586 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.542 4.457 -2.861 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.753 5.114 -3.544 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.627 6.311 -4.260 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -6.025 4.536 -3.463 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.723 6.895 -4.855 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -7.110 5.122 -4.061 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.955 6.292 -4.751 1.00 0.00 C ATOM 1367 OH TYR A 85 -8.045 6.872 -5.336 1.00 0.00 O ATOM 0 H TYR A 85 -2.474 4.439 -5.666 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.931 3.074 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.901 3.859 -2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.912 5.243 -2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.659 6.782 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.154 3.612 -2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.616 7.821 -5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.084 4.661 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.838 6.320 -5.171 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.668 1.328 -3.719 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.289 0.115 -4.252 1.00 0.00 C ATOM 1379 C LEU A 86 -5.620 -0.144 -3.532 1.00 0.00 C ATOM 1380 O LEU A 86 -5.648 -0.398 -2.299 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.319 -1.088 -4.095 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.675 -2.454 -4.798 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.748 -3.272 -4.054 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.067 -2.240 -6.267 1.00 0.00 C ATOM 0 H LEU A 86 -3.382 1.244 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.496 0.245 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.342 -0.773 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.210 -1.285 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.763 -3.050 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.941 -4.198 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.395 -3.506 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.668 -2.691 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.307 -3.200 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.937 -1.586 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.236 -1.781 -6.802 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.697 -0.094 -4.325 1.00 0.00 N ATOM 1397 CA GLU A 87 -8.037 -0.513 -3.915 1.00 0.00 C ATOM 1398 C GLU A 87 -8.261 -1.958 -4.390 1.00 0.00 C ATOM 1399 O GLU A 87 -8.469 -2.211 -5.587 1.00 0.00 O ATOM 1400 CB GLU A 87 -9.103 0.452 -4.493 1.00 0.00 C ATOM 1401 CG GLU A 87 -9.002 1.896 -3.960 1.00 0.00 C ATOM 1402 CD GLU A 87 -10.063 2.835 -4.553 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -9.880 3.298 -5.694 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -11.091 3.103 -3.887 1.00 0.00 O ATOM 0 H GLU A 87 -6.658 0.245 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.130 -0.478 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.010 0.470 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.094 0.060 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.103 1.884 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.011 2.291 -4.184 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.160 -2.896 -3.442 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.300 -4.320 -3.717 1.00 0.00 C ATOM 1413 C GLY A 88 -8.110 -5.137 -2.452 1.00 0.00 C ATOM 1414 O GLY A 88 -7.309 -4.759 -1.587 1.00 0.00 O ATOM 0 H GLY A 88 -7.978 -2.683 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.286 -4.518 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.567 -4.624 -4.465 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.847 -6.253 -2.346 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.825 -7.122 -1.155 1.00 0.00 C ATOM 1420 C ASN A 89 -7.468 -7.837 -1.004 1.00 0.00 C ATOM 1421 O ASN A 89 -7.014 -8.505 -1.932 1.00 0.00 O ATOM 1422 CB ASN A 89 -10.010 -8.124 -1.195 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.349 -7.510 -0.754 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -12.400 -7.784 -1.335 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.328 -6.715 0.314 1.00 0.00 N ATOM 0 H ASN A 89 -9.474 -6.580 -3.081 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.948 -6.497 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.114 -8.511 -2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.779 -8.973 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.197 -6.316 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.443 -6.505 0.776 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.845 -7.696 0.197 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.443 -8.101 0.453 1.00 0.00 C ATOM 1434 C VAL A 90 -5.224 -9.621 0.300 1.00 0.00 C ATOM 1435 O VAL A 90 -4.173 -10.054 -0.167 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.925 -7.596 1.863 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.607 -8.314 3.043 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.387 -7.694 1.974 1.00 0.00 C ATOM 0 H VAL A 90 -7.306 -7.297 1.015 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.848 -7.611 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.205 -6.545 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.212 -7.927 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.682 -8.140 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.410 -9.384 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.070 -7.339 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.078 -8.732 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.926 -7.081 1.199 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.239 -10.413 0.663 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.176 -11.887 0.585 1.00 0.00 C ATOM 1450 C TYR A 91 -6.279 -12.349 -0.887 1.00 0.00 C ATOM 1451 O TYR A 91 -5.724 -13.387 -1.270 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.315 -12.503 1.443 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.316 -12.027 2.913 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.537 -12.645 3.893 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.086 -10.934 3.305 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.544 -12.188 5.200 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.089 -10.474 4.603 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.320 -11.101 5.548 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.327 -10.638 6.843 1.00 0.00 O ATOM 0 H TYR A 91 -7.126 -10.058 1.019 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.219 -12.230 0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.274 -12.254 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.226 -13.589 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.920 -13.491 3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.698 -10.433 2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.942 -12.683 5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.695 -9.622 4.875 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.522 -10.951 7.307 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.967 -11.526 -1.705 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.239 -11.812 -3.132 1.00 0.00 C ATOM 1471 C ASP A 92 -6.019 -11.539 -4.036 1.00 0.00 C ATOM 1472 O ASP A 92 -6.057 -11.860 -5.221 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.463 -10.991 -3.625 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.810 -11.478 -3.063 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.022 -11.397 -1.834 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.667 -11.943 -3.848 1.00 0.00 O ATOM 0 H ASP A 92 -7.354 -10.635 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.461 -12.877 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.322 -9.946 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.499 -11.031 -4.714 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.942 -10.949 -3.489 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.696 -10.703 -4.256 1.00 0.00 C ATOM 1483 C PHE A 93 -3.089 -12.035 -4.745 1.00 0.00 C ATOM 1484 O PHE A 93 -2.658 -12.157 -5.899 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.656 -9.937 -3.392 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.076 -8.544 -2.900 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.206 -7.898 -3.385 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.322 -7.880 -1.944 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.562 -6.644 -2.946 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.675 -6.623 -1.505 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.796 -6.005 -2.000 1.00 0.00 C ATOM 0 H PHE A 93 -4.904 -10.632 -2.520 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.951 -10.090 -5.121 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.416 -10.549 -2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.739 -9.833 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.819 -8.392 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.443 -8.357 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.443 -6.162 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.066 -6.121 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.075 -5.023 -1.648 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.121 -13.036 -3.853 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.505 -14.351 -4.081 1.00 0.00 C ATOM 1503 C GLU A 94 -3.208 -15.093 -5.245 1.00 0.00 C ATOM 1504 O GLU A 94 -2.540 -15.680 -6.107 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.527 -15.166 -2.749 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.356 -16.157 -2.547 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.383 -17.372 -3.491 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.277 -18.233 -3.334 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -0.514 -17.483 -4.379 1.00 0.00 O ATOM 0 H GLU A 94 -3.579 -12.955 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.465 -14.226 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.532 -14.464 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.462 -15.724 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.416 -15.624 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.370 -16.512 -1.517 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.555 -15.026 -5.284 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.351 -15.657 -6.364 1.00 0.00 C ATOM 1518 C LYS A 95 -5.267 -14.857 -7.684 1.00 0.00 C ATOM 1519 O LYS A 95 -5.529 -15.409 -8.754 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.830 -15.854 -5.942 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.588 -14.558 -5.606 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.101 -14.766 -5.376 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.839 -15.227 -6.644 1.00 0.00 C ATOM 1524 NZ LYS A 95 -11.295 -15.406 -6.405 1.00 0.00 N ATOM 0 H LYS A 95 -5.116 -14.543 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.914 -16.640 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.357 -16.367 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.860 -16.510 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.151 -14.113 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.448 -13.844 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.246 -15.505 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.542 -13.834 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.689 -14.495 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.410 -16.167 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.755 -15.717 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.440 -16.123 -5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.710 -14.503 -6.098 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.915 -13.559 -7.599 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.634 -12.714 -8.788 1.00 0.00 C ATOM 1540 C TYR A 96 -3.178 -12.893 -9.279 1.00 0.00 C ATOM 1541 O TYR A 96 -2.791 -12.306 -10.292 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.957 -11.218 -8.496 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.433 -10.827 -8.698 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.439 -11.324 -7.867 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.819 -9.939 -9.712 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.756 -10.957 -8.031 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.141 -9.572 -9.882 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.104 -10.079 -9.038 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.424 -9.704 -9.196 1.00 0.00 O ATOM 0 H TYR A 96 -4.816 -13.064 -6.712 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.289 -13.045 -9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.673 -10.993 -7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.338 -10.594 -9.141 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.178 -12.013 -7.077 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.068 -9.533 -10.374 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.515 -11.355 -7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.417 -8.891 -10.673 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.499 -9.081 -9.949 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.367 -13.668 -8.536 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.068 -14.160 -9.037 1.00 0.00 C ATOM 1561 C GLY A 97 0.127 -13.432 -8.449 1.00 0.00 C ATOM 1562 O GLY A 97 1.231 -13.500 -8.998 1.00 0.00 O ATOM 0 H GLY A 97 -2.587 -13.968 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.981 -15.223 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.045 -14.060 -10.122 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.103 -12.722 -7.341 1.00 0.00 N ATOM 1567 CA PHE A 98 0.932 -11.984 -6.604 1.00 0.00 C ATOM 1568 C PHE A 98 1.257 -12.782 -5.346 1.00 0.00 C ATOM 1569 O PHE A 98 0.385 -12.933 -4.486 1.00 0.00 O ATOM 1570 CB PHE A 98 0.410 -10.568 -6.240 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.153 -9.805 -7.436 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.696 -9.172 -8.340 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.527 -9.727 -7.662 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.192 -8.482 -9.422 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.028 -9.038 -8.747 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.170 -8.417 -9.623 1.00 0.00 C ATOM 0 H PHE A 98 -1.029 -12.641 -6.922 1.00 0.00 H new ATOM 0 HA PHE A 98 1.830 -11.861 -7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.365 -10.659 -5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.223 -9.991 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.765 -9.222 -8.191 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.208 -10.212 -6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.864 -7.993 -10.112 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.095 -8.987 -8.908 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.564 -7.877 -10.471 1.00 0.00 H new ATOM 1586 N ARG A 99 2.491 -13.323 -5.263 1.00 0.00 N ATOM 1587 CA ARG A 99 2.909 -14.187 -4.144 1.00 0.00 C ATOM 1588 C ARG A 99 2.857 -13.387 -2.837 1.00 0.00 C ATOM 1589 O ARG A 99 3.181 -12.190 -2.814 1.00 0.00 O ATOM 1590 CB ARG A 99 4.317 -14.816 -4.418 1.00 0.00 C ATOM 1591 CG ARG A 99 5.563 -13.980 -4.020 1.00 0.00 C ATOM 1592 CD ARG A 99 6.044 -14.245 -2.576 1.00 0.00 C ATOM 1593 NE ARG A 99 6.349 -15.670 -2.350 1.00 0.00 N ATOM 1594 CZ ARG A 99 7.533 -16.261 -2.576 1.00 0.00 C ATOM 1595 NH1 ARG A 99 8.580 -15.578 -3.028 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.654 -17.563 -2.367 1.00 0.00 N ATOM 0 H ARG A 99 3.217 -13.174 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 99 2.219 -15.025 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.368 -15.769 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.386 -15.037 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.376 -14.201 -4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.331 -12.921 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.933 -13.647 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.276 -13.922 -1.873 1.00 0.00 H new ATOM 0 HE ARG A 99 5.596 -16.257 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.496 -14.578 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.468 -16.054 -3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.854 -18.103 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.548 -18.026 -2.534 1.00 0.00 H new ATOM 1610 N MET A 100 2.421 -14.047 -1.760 1.00 0.00 N ATOM 1611 CA MET A 100 2.230 -13.404 -0.451 1.00 0.00 C ATOM 1612 C MET A 100 2.848 -14.269 0.655 1.00 0.00 C ATOM 1613 O MET A 100 2.782 -15.504 0.610 1.00 0.00 O ATOM 1614 CB MET A 100 0.723 -13.151 -0.159 1.00 0.00 C ATOM 1615 CG MET A 100 -0.039 -12.407 -1.269 1.00 0.00 C ATOM 1616 SD MET A 100 -1.625 -11.770 -0.717 1.00 0.00 S ATOM 1617 CE MET A 100 -1.082 -10.500 0.414 1.00 0.00 C ATOM 0 H MET A 100 2.190 -15.040 -1.768 1.00 0.00 H new ATOM 0 HA MET A 100 2.733 -12.437 -0.473 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.236 -14.111 0.015 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.639 -12.579 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.573 -11.581 -1.633 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.196 -13.082 -2.110 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.883 -9.775 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.824 -10.952 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.207 -9.997 0.003 1.00 0.00 H new ATOM 1627 N VAL A 101 3.449 -13.596 1.639 1.00 0.00 N ATOM 1628 CA VAL A 101 4.088 -14.229 2.793 1.00 0.00 C ATOM 1629 C VAL A 101 3.049 -14.397 3.915 1.00 0.00 C ATOM 1630 O VAL A 101 2.634 -13.411 4.542 1.00 0.00 O ATOM 1631 CB VAL A 101 5.312 -13.375 3.290 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.044 -14.065 4.461 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.286 -13.062 2.126 1.00 0.00 C ATOM 0 H VAL A 101 3.506 -12.578 1.656 1.00 0.00 H new ATOM 0 HA VAL A 101 4.466 -15.209 2.503 1.00 0.00 H new ATOM 0 HB VAL A 101 4.922 -12.427 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.884 -13.448 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.354 -14.197 5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.412 -15.039 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.122 -12.471 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.661 -13.995 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.761 -12.500 1.353 1.00 0.00 H new ATOM 1643 N TYR A 102 2.600 -15.647 4.102 1.00 0.00 N ATOM 1644 CA TYR A 102 1.611 -16.023 5.126 1.00 0.00 C ATOM 1645 C TYR A 102 2.315 -16.534 6.396 1.00 0.00 C ATOM 1646 O TYR A 102 3.170 -17.425 6.310 1.00 0.00 O ATOM 1647 CB TYR A 102 0.655 -17.111 4.568 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.300 -16.603 3.478 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -1.549 -16.082 3.807 1.00 0.00 C ATOM 1650 CD2 TYR A 102 0.045 -16.639 2.125 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -2.414 -15.618 2.838 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -0.820 -16.178 1.153 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.048 -15.668 1.516 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.917 -15.206 0.553 1.00 0.00 O ATOM 0 H TYR A 102 2.917 -16.436 3.539 1.00 0.00 H new ATOM 0 HA TYR A 102 1.028 -15.140 5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.250 -17.930 4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.067 -17.520 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.847 -16.040 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.007 -17.035 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.377 -15.216 3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.536 -16.217 0.112 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.470 -14.490 0.928 1.00 0.00 H new