USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 134:sc= -0.685 USER MOD Set 1.2: A 57 SER OG : rot -71:sc= 0.145 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.228 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 2.44 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00579 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 25 ASN : amide:sc= 0.337 K(o=0.34,f=-0.59) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0.772 (180deg=0.24) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0518 (180deg=-0.273) USER MOD Single : A 31 GLN : amide:sc= -0.303 K(o=-0.3,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0331) USER MOD Single : A 40 GLN : amide:sc= 0.115 K(o=0.11,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.3,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0385) USER MOD Single : A 49 GLN : amide:sc= -0.948 X(o=-0.95,f=-1.1) USER MOD Single : A 59 TYR OH : rot 60:sc= -0.311 USER MOD Single : A 60 ASN : amide:sc=-0.00853 X(o=-0.0085,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 104:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0215 X(o=0.021,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.605 -6.720 -4.881 1.00 9.67 N ATOM 2 CA MET A 1 11.562 -6.843 -3.406 1.00 10.38 C ATOM 3 C MET A 1 10.236 -7.374 -2.893 1.00 9.62 C ATOM 4 O MET A 1 9.201 -7.003 -3.417 1.00 9.62 O ATOM 5 CB MET A 1 11.648 -5.317 -2.931 1.00 13.77 C ATOM 6 CG MET A 1 11.413 -5.024 -1.408 1.00 16.29 C ATOM 7 SD MET A 1 11.892 -3.402 -0.823 1.00 17.17 S ATOM 8 CE MET A 1 10.436 -2.455 -1.349 1.00 16.11 C ATOM 0 H1 MET A 1 12.592 -6.619 -5.192 1.00 9.67 H new ATOM 0 H2 MET A 1 11.191 -7.571 -5.313 1.00 9.67 H new ATOM 0 H3 MET A 1 11.062 -5.884 -5.176 1.00 9.67 H new ATOM 0 HA MET A 1 12.340 -7.518 -3.051 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.633 -4.935 -3.200 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.917 -4.744 -3.502 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.354 -5.165 -1.193 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.958 -5.770 -0.829 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.559 -1.410 -1.065 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.327 -2.526 -2.431 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.546 -2.859 -0.867 1.00 16.11 H new ATOM 20 N GLN A 2 10.253 -8.251 -1.817 1.00 9.27 N ATOM 21 CA GLN A 2 9.038 -8.736 -1.123 1.00 9.07 C ATOM 22 C GLN A 2 8.606 -7.895 0.091 1.00 8.72 C ATOM 23 O GLN A 2 9.383 -7.622 1.014 1.00 8.22 O ATOM 24 CB GLN A 2 9.262 -10.230 -0.778 1.00 14.46 C ATOM 25 CG GLN A 2 7.943 -10.770 -0.194 1.00 17.01 C ATOM 26 CD GLN A 2 8.028 -12.319 -0.217 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.210 -12.952 0.853 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.796 -12.877 -1.443 1.00 19.49 N ATOM 0 H GLN A 2 11.117 -8.626 -1.426 1.00 9.27 H new ATOM 0 HA GLN A 2 8.189 -8.624 -1.797 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.546 -10.791 -1.668 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.074 -10.340 -0.059 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.797 -10.408 0.824 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.092 -10.423 -0.781 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.659 -12.279 -2.258 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.759 -13.891 -1.543 1.00 19.49 H new ATOM 37 N ILE A 3 7.270 -7.546 0.130 1.00 5.87 N ATOM 38 CA ILE A 3 6.742 -6.815 1.197 1.00 5.07 C ATOM 39 C ILE A 3 5.314 -7.288 1.386 1.00 4.01 C ATOM 40 O ILE A 3 4.715 -7.901 0.487 1.00 4.61 O ATOM 41 CB ILE A 3 6.526 -5.295 1.038 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.825 -4.914 -0.285 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.796 -4.551 1.269 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.698 -3.395 -0.427 1.00 10.83 C ATOM 0 H ILE A 3 6.594 -7.789 -0.594 1.00 5.87 H new ATOM 0 HA ILE A 3 7.484 -6.973 1.980 1.00 5.07 H new ATOM 0 HB ILE A 3 5.827 -4.985 1.815 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.389 -5.315 -1.127 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.835 -5.369 -0.319 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.618 -3.482 1.151 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.156 -4.750 2.278 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.545 -4.876 0.546 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.201 -3.158 -1.368 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.112 -3.000 0.403 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.690 -2.944 -0.418 1.00 10.83 H new ATOM 56 N PHE A 4 4.829 -7.157 2.611 1.00 4.55 N ATOM 57 CA PHE A 4 3.576 -7.734 2.987 1.00 4.68 C ATOM 58 C PHE A 4 2.603 -6.639 3.280 1.00 5.30 C ATOM 59 O PHE A 4 2.875 -5.594 3.897 1.00 5.58 O ATOM 60 CB PHE A 4 3.609 -8.528 4.318 1.00 4.83 C ATOM 61 CG PHE A 4 4.622 -9.618 4.308 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.419 -10.610 3.327 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.864 -9.580 5.026 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.302 -11.616 3.163 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.848 -10.579 4.712 1.00 10.61 C ATOM 66 CZ PHE A 4 6.561 -11.591 3.799 1.00 8.90 C ATOM 0 H PHE A 4 5.300 -6.648 3.359 1.00 4.55 H new ATOM 0 HA PHE A 4 3.317 -8.390 2.156 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.824 -7.845 5.139 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.624 -8.954 4.507 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.543 -10.564 2.697 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.053 -8.827 5.776 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.041 -12.455 2.534 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.817 -10.545 5.187 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.297 -12.351 3.580 1.00 8.90 H new ATOM 76 N VAL A 5 1.350 -6.867 2.847 1.00 4.44 N ATOM 77 CA VAL A 5 0.206 -5.943 3.233 1.00 3.87 C ATOM 78 C VAL A 5 -0.789 -6.646 4.052 1.00 4.93 C ATOM 79 O VAL A 5 -1.300 -7.674 3.614 1.00 6.84 O ATOM 80 CB VAL A 5 -0.499 -5.206 2.068 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.437 -4.137 2.630 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.602 -4.612 1.182 1.00 9.13 C ATOM 0 H VAL A 5 1.083 -7.649 2.249 1.00 4.44 H new ATOM 0 HA VAL A 5 0.695 -5.158 3.809 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.116 -5.878 1.471 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.932 -3.619 1.809 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.186 -4.608 3.266 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.862 -3.420 3.216 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.149 -4.081 0.345 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.205 -3.918 1.767 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.236 -5.414 0.803 1.00 9.13 H new ATOM 92 N LYS A 6 -1.129 -6.100 5.235 1.00 6.04 N ATOM 93 CA LYS A 6 -2.251 -6.528 6.114 1.00 6.12 C ATOM 94 C LYS A 6 -3.529 -5.775 5.787 1.00 6.57 C ATOM 95 O LYS A 6 -3.627 -4.574 5.885 1.00 5.76 O ATOM 96 CB LYS A 6 -1.901 -6.319 7.588 1.00 7.45 C ATOM 97 CG LYS A 6 -2.733 -7.161 8.565 1.00 11.12 C ATOM 98 CD LYS A 6 -2.355 -8.644 8.570 1.00 14.54 C ATOM 99 CE LYS A 6 -0.983 -8.905 9.246 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.134 -9.055 10.721 1.00 20.55 N ATOM 0 H LYS A 6 -0.611 -5.314 5.628 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.414 -7.590 5.932 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.846 -6.552 7.735 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.032 -5.265 7.834 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.612 -6.760 9.571 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.788 -7.064 8.308 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.127 -9.211 9.091 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.327 -9.012 7.544 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.534 -9.807 8.829 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.304 -8.081 9.028 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.202 -9.229 11.149 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.541 -8.184 11.119 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.764 -9.857 10.926 1.00 20.55 H new ATOM 114 N THR A 7 -4.526 -6.562 5.314 1.00 7.41 N ATOM 115 CA THR A 7 -5.747 -6.031 5.035 1.00 7.48 C ATOM 116 C THR A 7 -6.562 -5.803 6.274 1.00 8.75 C ATOM 117 O THR A 7 -6.341 -6.464 7.282 1.00 8.58 O ATOM 118 CB THR A 7 -6.486 -6.935 4.009 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.127 -8.116 4.404 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.598 -7.094 2.737 1.00 9.17 C ATOM 0 H THR A 7 -4.441 -7.563 5.140 1.00 7.41 H new ATOM 0 HA THR A 7 -5.602 -5.047 4.590 1.00 7.48 H new ATOM 0 HB THR A 7 -7.398 -6.371 3.813 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.534 -8.544 3.622 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.110 -7.727 2.013 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.414 -6.114 2.297 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.648 -7.552 3.012 1.00 9.17 H new ATOM 128 N LEU A 8 -7.621 -4.940 6.184 1.00 9.84 N ATOM 129 CA LEU A 8 -8.482 -4.498 7.222 1.00 14.15 C ATOM 130 C LEU A 8 -9.163 -5.712 7.924 1.00 17.37 C ATOM 131 O LEU A 8 -9.327 -5.761 9.120 1.00 17.01 O ATOM 132 CB LEU A 8 -9.558 -3.520 6.726 1.00 16.63 C ATOM 133 CG LEU A 8 -10.266 -2.849 7.922 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.521 -1.589 8.402 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.755 -2.558 7.657 1.00 18.59 C ATOM 0 H LEU A 8 -7.878 -4.526 5.288 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.855 -3.962 7.935 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.103 -2.760 6.091 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.287 -4.051 6.114 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.235 -3.578 8.732 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.055 -1.150 9.245 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.512 -1.859 8.713 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.469 -0.865 7.589 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.196 -2.086 8.535 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.848 -1.890 6.801 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.276 -3.492 7.447 1.00 18.59 H new ATOM 147 N THR A 9 -9.500 -6.782 7.197 1.00 18.33 N ATOM 148 CA THR A 9 -10.138 -8.033 7.702 1.00 19.24 C ATOM 149 C THR A 9 -9.164 -9.118 8.167 1.00 19.48 C ATOM 150 O THR A 9 -9.536 -10.233 8.462 1.00 23.14 O ATOM 151 CB THR A 9 -11.145 -8.570 6.758 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.688 -8.510 5.394 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.381 -7.671 6.723 1.00 19.70 C ATOM 0 H THR A 9 -9.334 -6.815 6.191 1.00 18.33 H new ATOM 0 HA THR A 9 -10.656 -7.718 8.608 1.00 19.24 H new ATOM 0 HB THR A 9 -11.339 -9.587 7.099 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.378 -8.874 4.801 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.110 -8.081 6.024 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.822 -7.620 7.719 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.094 -6.670 6.401 1.00 19.70 H new ATOM 161 N GLY A 10 -7.879 -8.750 8.258 1.00 19.43 N ATOM 162 CA GLY A 10 -6.875 -9.550 8.807 1.00 18.74 C ATOM 163 C GLY A 10 -6.284 -10.467 7.797 1.00 17.62 C ATOM 164 O GLY A 10 -5.856 -11.519 8.177 1.00 19.74 O ATOM 0 H GLY A 10 -7.539 -7.847 7.928 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.093 -8.916 9.224 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.285 -10.133 9.631 1.00 18.74 H new ATOM 168 N LYS A 11 -6.218 -10.134 6.499 1.00 13.56 N ATOM 169 CA LYS A 11 -5.609 -11.043 5.538 1.00 11.91 C ATOM 170 C LYS A 11 -4.191 -10.616 5.144 1.00 10.18 C ATOM 171 O LYS A 11 -3.986 -9.516 4.744 1.00 9.10 O ATOM 172 CB LYS A 11 -6.539 -11.310 4.335 1.00 13.43 C ATOM 173 CG LYS A 11 -6.146 -12.607 3.541 1.00 16.69 C ATOM 174 CD LYS A 11 -6.887 -12.840 2.266 1.00 17.92 C ATOM 175 CE LYS A 11 -6.388 -11.841 1.170 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.912 -12.181 -0.107 1.00 21.93 N ATOM 0 H LYS A 11 -6.572 -9.262 6.105 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.483 -12.005 6.034 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.566 -11.403 4.688 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.510 -10.454 3.661 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.080 -12.563 3.317 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.300 -13.468 4.191 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.737 -13.866 1.930 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.957 -12.711 2.428 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.690 -10.827 1.433 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.299 -11.850 1.134 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.566 -11.503 -0.816 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.603 -13.140 -0.365 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.951 -12.149 -0.076 1.00 21.93 H new ATOM 190 N THR A 12 -3.166 -11.490 5.115 1.00 9.63 N ATOM 191 CA THR A 12 -1.905 -11.036 4.625 1.00 9.85 C ATOM 192 C THR A 12 -1.745 -11.265 3.132 1.00 11.66 C ATOM 193 O THR A 12 -2.026 -12.379 2.664 1.00 12.33 O ATOM 194 CB THR A 12 -0.681 -11.709 5.281 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.679 -11.525 6.665 1.00 10.91 O ATOM 196 CG2 THR A 12 0.680 -10.980 4.869 1.00 9.63 C ATOM 0 H THR A 12 -3.205 -12.464 5.415 1.00 9.63 H new ATOM 0 HA THR A 12 -1.922 -9.976 4.876 1.00 9.85 H new ATOM 0 HB THR A 12 -0.742 -12.751 4.967 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.107 -11.964 7.052 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.521 -11.481 5.349 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.802 -11.023 3.787 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.647 -9.939 5.190 1.00 9.63 H new ATOM 204 N ILE A 13 -1.369 -10.263 2.345 1.00 10.42 N ATOM 205 CA ILE A 13 -1.127 -10.506 0.929 1.00 11.84 C ATOM 206 C ILE A 13 0.334 -10.251 0.560 1.00 10.55 C ATOM 207 O ILE A 13 0.991 -9.349 1.042 1.00 11.92 O ATOM 208 CB ILE A 13 -2.044 -9.678 0.017 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.014 -8.157 0.206 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.447 -10.342 0.186 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.792 -7.295 -0.820 1.00 16.46 C ATOM 0 H ILE A 13 -1.228 -9.301 2.652 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.359 -11.558 0.764 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.692 -9.713 -1.014 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.405 -7.933 1.199 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.972 -7.837 0.194 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.175 -9.816 -0.432 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.395 -11.386 -0.124 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.751 -10.288 1.231 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.684 -6.241 -0.565 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.393 -7.470 -1.819 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.847 -7.568 -0.798 1.00 16.46 H new ATOM 223 N THR A 14 0.914 -11.132 -0.310 1.00 9.39 N ATOM 224 CA THR A 14 2.298 -11.048 -0.722 1.00 9.63 C ATOM 225 C THR A 14 2.435 -10.188 -1.979 1.00 11.20 C ATOM 226 O THR A 14 1.874 -10.552 -2.993 1.00 11.63 O ATOM 227 CB THR A 14 2.955 -12.406 -1.012 1.00 10.38 C ATOM 228 OG1 THR A 14 2.614 -13.342 -0.001 1.00 16.30 O ATOM 229 CG2 THR A 14 4.435 -12.271 -1.063 1.00 11.66 C ATOM 0 H THR A 14 0.410 -11.912 -0.731 1.00 9.39 H new ATOM 0 HA THR A 14 2.813 -10.603 0.129 1.00 9.63 H new ATOM 0 HB THR A 14 2.590 -12.757 -1.977 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.037 -14.204 -0.197 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.882 -13.243 -1.269 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.709 -11.571 -1.852 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.800 -11.900 -0.105 1.00 11.66 H new ATOM 237 N LEU A 15 3.334 -9.142 -1.949 1.00 8.29 N ATOM 238 CA LEU A 15 3.610 -8.291 -3.096 1.00 9.03 C ATOM 239 C LEU A 15 5.148 -8.331 -3.543 1.00 8.59 C ATOM 240 O LEU A 15 6.033 -7.962 -2.772 1.00 7.79 O ATOM 241 CB LEU A 15 3.330 -6.792 -2.836 1.00 11.08 C ATOM 242 CG LEU A 15 1.904 -6.346 -2.809 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.757 -4.807 -2.987 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.828 -7.116 -3.702 1.00 15.27 C ATOM 0 H LEU A 15 3.869 -8.892 -1.117 1.00 8.29 H new ATOM 0 HA LEU A 15 2.946 -8.696 -3.860 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.782 -6.527 -1.880 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.847 -6.216 -3.604 1.00 11.08 H new ATOM 0 HG LEU A 15 1.633 -6.650 -1.798 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.701 -4.537 -2.960 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.283 -4.296 -2.181 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.183 -4.509 -3.945 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.153 -6.662 -3.562 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.112 -7.049 -4.752 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.789 -8.163 -3.403 1.00 15.27 H new ATOM 256 N GLU A 16 5.369 -8.731 -4.791 1.00 11.04 N ATOM 257 CA GLU A 16 6.578 -8.422 -5.536 1.00 11.50 C ATOM 258 C GLU A 16 6.446 -6.963 -5.966 1.00 10.13 C ATOM 259 O GLU A 16 5.484 -6.577 -6.660 1.00 9.83 O ATOM 260 CB GLU A 16 6.911 -9.503 -6.589 1.00 17.22 C ATOM 261 CG GLU A 16 8.279 -9.309 -7.307 1.00 23.33 C ATOM 262 CD GLU A 16 9.460 -9.405 -6.286 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.500 -10.356 -5.457 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.437 -8.564 -6.362 1.00 28.86 O ATOM 0 H GLU A 16 4.699 -9.289 -5.320 1.00 11.04 H new ATOM 0 HA GLU A 16 7.494 -8.479 -4.949 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.906 -10.479 -6.103 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.120 -9.516 -7.339 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.399 -10.067 -8.081 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.300 -8.339 -7.804 1.00 23.33 H new ATOM 271 N VAL A 17 7.421 -6.139 -5.606 1.00 8.99 N ATOM 272 CA VAL A 17 7.478 -4.761 -6.023 1.00 8.85 C ATOM 273 C VAL A 17 8.902 -4.374 -6.297 1.00 8.04 C ATOM 274 O VAL A 17 9.831 -4.986 -5.832 1.00 8.99 O ATOM 275 CB VAL A 17 7.010 -3.739 -4.977 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.536 -3.876 -4.632 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.787 -4.004 -3.698 1.00 10.54 C ATOM 0 H VAL A 17 8.199 -6.420 -5.009 1.00 8.99 H new ATOM 0 HA VAL A 17 6.815 -4.725 -6.887 1.00 8.85 H new ATOM 0 HB VAL A 17 7.174 -2.744 -5.391 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.265 -3.127 -3.888 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.937 -3.728 -5.530 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.347 -4.871 -4.230 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.479 -3.294 -2.931 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.587 -5.019 -3.354 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.854 -3.890 -3.890 1.00 10.54 H new ATOM 287 N GLU A 18 9.175 -3.292 -7.041 1.00 7.29 N ATOM 288 CA GLU A 18 10.521 -2.717 -7.111 1.00 7.08 C ATOM 289 C GLU A 18 10.562 -1.680 -6.059 1.00 6.45 C ATOM 290 O GLU A 18 9.500 -1.089 -5.772 1.00 5.28 O ATOM 291 CB GLU A 18 10.754 -2.148 -8.552 1.00 10.28 C ATOM 292 CG GLU A 18 10.586 -3.183 -9.679 1.00 12.65 C ATOM 293 CD GLU A 18 11.050 -2.549 -11.010 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.388 -1.699 -11.587 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.107 -3.048 -11.552 1.00 18.17 O ATOM 0 H GLU A 18 8.480 -2.800 -7.602 1.00 7.29 H new ATOM 0 HA GLU A 18 11.319 -3.440 -6.939 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.057 -1.327 -8.722 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.759 -1.730 -8.606 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.172 -4.076 -9.462 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.544 -3.495 -9.753 1.00 12.65 H new ATOM 302 N PRO A 19 11.713 -1.257 -5.483 1.00 7.24 N ATOM 303 CA PRO A 19 11.808 -0.020 -4.643 1.00 7.07 C ATOM 304 C PRO A 19 11.297 1.308 -5.310 1.00 6.65 C ATOM 305 O PRO A 19 10.702 2.143 -4.708 1.00 6.37 O ATOM 306 CB PRO A 19 13.329 0.079 -4.379 1.00 7.61 C ATOM 307 CG PRO A 19 13.841 -1.396 -4.457 1.00 8.16 C ATOM 308 CD PRO A 19 12.987 -2.066 -5.547 1.00 7.49 C ATOM 0 HA PRO A 19 11.167 -0.110 -3.766 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.820 0.708 -5.121 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.534 0.518 -3.403 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.901 -1.431 -4.710 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.725 -1.904 -3.499 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.458 -2.009 -6.528 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.812 -3.121 -5.338 1.00 7.49 H new ATOM 316 N SER A 20 11.545 1.385 -6.604 1.00 6.80 N ATOM 317 CA SER A 20 11.054 2.532 -7.354 1.00 6.28 C ATOM 318 C SER A 20 9.703 2.387 -7.957 1.00 8.45 C ATOM 319 O SER A 20 9.220 3.296 -8.624 1.00 7.26 O ATOM 320 CB SER A 20 12.098 2.898 -8.431 1.00 8.57 C ATOM 321 OG SER A 20 12.571 1.759 -9.130 1.00 11.13 O ATOM 0 H SER A 20 12.065 0.694 -7.145 1.00 6.80 H new ATOM 0 HA SER A 20 10.925 3.334 -6.627 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.656 3.599 -9.139 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.939 3.408 -7.961 1.00 8.57 H new ATOM 0 HG SER A 20 13.228 2.037 -9.802 1.00 11.13 H new ATOM 327 N ASP A 21 8.951 1.312 -7.578 1.00 7.50 N ATOM 328 CA ASP A 21 7.551 1.349 -7.618 1.00 7.70 C ATOM 329 C ASP A 21 6.958 2.406 -6.710 1.00 7.08 C ATOM 330 O ASP A 21 7.360 2.577 -5.584 1.00 8.11 O ATOM 331 CB ASP A 21 6.758 0.069 -7.276 1.00 11.00 C ATOM 332 CG ASP A 21 6.737 -0.865 -8.529 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.550 -0.364 -9.684 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.902 -2.098 -8.311 1.00 18.03 O ATOM 0 H ASP A 21 9.342 0.430 -7.248 1.00 7.50 H new ATOM 0 HA ASP A 21 7.433 1.546 -8.683 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.217 -0.444 -6.431 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.741 0.324 -6.979 1.00 11.00 H new ATOM 339 N THR A 22 5.934 3.057 -7.276 1.00 5.37 N ATOM 340 CA THR A 22 5.164 4.142 -6.639 1.00 6.01 C ATOM 341 C THR A 22 4.097 3.603 -5.691 1.00 8.01 C ATOM 342 O THR A 22 3.653 2.456 -5.852 1.00 8.11 O ATOM 343 CB THR A 22 4.601 5.154 -7.626 1.00 8.92 C ATOM 344 OG1 THR A 22 4.005 4.415 -8.686 1.00 10.22 O ATOM 345 CG2 THR A 22 5.645 6.155 -8.193 1.00 9.65 C ATOM 0 H THR A 22 5.606 2.840 -8.217 1.00 5.37 H new ATOM 0 HA THR A 22 5.882 4.698 -6.037 1.00 6.01 H new ATOM 0 HB THR A 22 3.882 5.777 -7.094 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.628 5.035 -9.345 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.155 6.838 -8.887 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.085 6.724 -7.374 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.428 5.606 -8.716 1.00 9.65 H new ATOM 353 N ILE A 23 3.534 4.474 -4.834 1.00 8.32 N ATOM 354 CA ILE A 23 2.361 4.134 -4.011 1.00 9.92 C ATOM 355 C ILE A 23 1.195 3.941 -4.953 1.00 10.01 C ATOM 356 O ILE A 23 0.369 3.047 -4.714 1.00 8.71 O ATOM 357 CB ILE A 23 2.154 5.155 -2.950 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.337 5.340 -2.047 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.857 4.839 -2.208 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.786 4.083 -1.261 1.00 12.30 C ATOM 0 H ILE A 23 3.876 5.425 -4.694 1.00 8.32 H new ATOM 0 HA ILE A 23 2.496 3.204 -3.459 1.00 9.92 H new ATOM 0 HB ILE A 23 2.054 6.131 -3.425 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.177 5.690 -2.647 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.105 6.129 -1.332 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.695 5.582 -1.427 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.022 4.861 -2.909 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.927 3.849 -1.758 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.648 4.330 -0.641 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.969 3.739 -0.627 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.058 3.294 -1.962 1.00 12.30 H new ATOM 372 N GLU A 24 1.135 4.585 -6.117 1.00 9.54 N ATOM 373 CA GLU A 24 0.181 4.408 -7.200 1.00 11.81 C ATOM 374 C GLU A 24 0.237 2.982 -7.747 1.00 11.14 C ATOM 375 O GLU A 24 -0.807 2.333 -7.958 1.00 10.62 O ATOM 376 CB GLU A 24 0.390 5.541 -8.223 1.00 19.24 C ATOM 377 CG GLU A 24 -0.721 5.547 -9.339 1.00 27.76 C ATOM 378 CD GLU A 24 -0.792 6.918 -9.999 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.220 7.334 -10.626 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.877 7.598 -9.831 1.00 36.51 O ATOM 0 H GLU A 24 1.817 5.309 -6.342 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.849 4.502 -6.856 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.388 6.500 -7.706 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.370 5.432 -8.688 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.500 4.786 -10.087 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.687 5.294 -8.903 1.00 27.76 H new ATOM 387 N ASN A 25 1.435 2.424 -8.018 1.00 9.43 N ATOM 388 CA ASN A 25 1.597 1.068 -8.552 1.00 10.96 C ATOM 389 C ASN A 25 1.292 0.013 -7.492 1.00 9.68 C ATOM 390 O ASN A 25 0.609 -0.965 -7.753 1.00 9.33 O ATOM 391 CB ASN A 25 3.056 1.004 -9.086 1.00 16.78 C ATOM 392 CG ASN A 25 3.342 1.708 -10.411 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.430 2.237 -11.044 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.603 1.666 -10.826 1.00 24.70 N ATOM 0 H ASN A 25 2.319 2.910 -7.869 1.00 9.43 H new ATOM 0 HA ASN A 25 0.892 0.852 -9.355 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.713 1.430 -8.328 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.331 -0.045 -9.194 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.861 2.089 -11.718 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.314 1.211 -10.253 1.00 24.70 H new ATOM 401 N VAL A 26 1.704 0.253 -6.210 1.00 6.52 N ATOM 402 CA VAL A 26 1.332 -0.588 -5.029 1.00 5.53 C ATOM 403 C VAL A 26 -0.159 -0.731 -4.858 1.00 4.42 C ATOM 404 O VAL A 26 -0.728 -1.823 -4.746 1.00 3.40 O ATOM 405 CB VAL A 26 1.826 -0.086 -3.711 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.315 -0.752 -2.449 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.366 -0.109 -3.734 1.00 8.12 C ATOM 0 H VAL A 26 2.306 1.039 -5.966 1.00 6.52 H new ATOM 0 HA VAL A 26 1.815 -1.534 -5.272 1.00 5.53 H new ATOM 0 HB VAL A 26 1.405 0.916 -3.629 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.766 -0.276 -1.578 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.231 -0.651 -2.398 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.581 -1.809 -2.462 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.750 0.254 -2.780 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.712 -1.129 -3.900 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.727 0.532 -4.538 1.00 8.12 H new ATOM 417 N LYS A 27 -0.916 0.412 -4.875 1.00 2.64 N ATOM 418 CA LYS A 27 -2.378 0.452 -4.825 1.00 4.14 C ATOM 419 C LYS A 27 -3.036 -0.249 -6.020 1.00 5.58 C ATOM 420 O LYS A 27 -4.070 -0.925 -5.838 1.00 4.11 O ATOM 421 CB LYS A 27 -3.016 1.885 -4.562 1.00 3.97 C ATOM 422 CG LYS A 27 -2.632 2.529 -3.199 1.00 7.45 C ATOM 423 CD LYS A 27 -3.297 3.904 -2.814 1.00 9.02 C ATOM 424 CE LYS A 27 -3.014 5.045 -3.800 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.991 6.107 -3.538 1.00 15.47 N ATOM 0 H LYS A 27 -0.497 1.341 -4.925 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.611 -0.124 -3.929 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.710 2.556 -5.364 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.101 1.799 -4.615 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.870 1.812 -2.413 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.551 2.667 -3.188 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.375 3.764 -2.740 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.945 4.199 -1.825 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.998 5.419 -3.672 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.097 4.693 -4.828 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.951 6.811 -4.302 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.946 5.697 -3.494 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.770 6.567 -2.632 1.00 15.47 H new ATOM 439 N ALA A 28 -2.488 -0.133 -7.230 1.00 6.61 N ATOM 440 CA ALA A 28 -2.942 -0.944 -8.354 1.00 7.74 C ATOM 441 C ALA A 28 -2.729 -2.457 -8.216 1.00 9.17 C ATOM 442 O ALA A 28 -3.593 -3.344 -8.402 1.00 11.45 O ATOM 443 CB ALA A 28 -2.320 -0.425 -9.605 1.00 7.68 C ATOM 0 H ALA A 28 -1.731 0.513 -7.454 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.027 -0.842 -8.381 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.653 -1.024 -10.452 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.617 0.613 -9.756 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.235 -0.483 -9.523 1.00 7.68 H new ATOM 449 N LYS A 29 -1.581 -2.816 -7.600 1.00 8.96 N ATOM 450 CA LYS A 29 -1.208 -4.212 -7.228 1.00 7.90 C ATOM 451 C LYS A 29 -2.097 -4.785 -6.186 1.00 6.92 C ATOM 452 O LYS A 29 -2.498 -5.944 -6.256 1.00 6.87 O ATOM 453 CB LYS A 29 0.261 -4.255 -6.789 1.00 10.28 C ATOM 454 CG LYS A 29 1.028 -5.382 -7.492 1.00 14.94 C ATOM 455 CD LYS A 29 2.555 -5.160 -7.581 1.00 19.69 C ATOM 456 CE LYS A 29 2.882 -4.254 -8.681 1.00 22.63 C ATOM 457 NZ LYS A 29 2.621 -4.785 -10.052 1.00 24.98 N ATOM 0 H LYS A 29 -0.869 -2.134 -7.339 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.338 -4.836 -8.112 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.735 -3.299 -7.010 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.315 -4.396 -5.709 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.840 -6.317 -6.964 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.631 -5.500 -8.500 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.923 -4.747 -6.642 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.059 -6.115 -7.728 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.312 -3.334 -8.552 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.937 -3.988 -8.608 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.164 -4.233 -10.747 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.911 -5.783 -10.099 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.606 -4.709 -10.266 1.00 24.98 H new ATOM 471 N ILE A 30 -2.493 -3.934 -5.181 1.00 4.57 N ATOM 472 CA ILE A 30 -3.562 -4.281 -4.231 1.00 5.58 C ATOM 473 C ILE A 30 -4.905 -4.431 -4.843 1.00 7.26 C ATOM 474 O ILE A 30 -5.665 -5.380 -4.580 1.00 9.46 O ATOM 475 CB ILE A 30 -3.610 -3.279 -3.001 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.331 -3.421 -2.204 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.844 -3.685 -2.132 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.264 -2.326 -1.110 1.00 2.00 C ATOM 0 H ILE A 30 -2.080 -3.015 -5.025 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.292 -5.271 -3.865 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.700 -2.242 -3.325 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.287 -4.409 -1.745 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.469 -3.338 -2.866 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.917 -3.020 -1.271 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.752 -3.606 -2.730 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.725 -4.712 -1.788 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.341 -2.436 -0.541 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.287 -1.342 -1.578 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.117 -2.429 -0.440 1.00 2.00 H new ATOM 490 N GLN A 31 -5.286 -3.541 -5.813 1.00 7.06 N ATOM 491 CA GLN A 31 -6.533 -3.702 -6.600 1.00 8.67 C ATOM 492 C GLN A 31 -6.631 -4.918 -7.501 1.00 10.90 C ATOM 493 O GLN A 31 -7.674 -5.540 -7.589 1.00 9.63 O ATOM 494 CB GLN A 31 -6.800 -2.511 -7.573 1.00 9.12 C ATOM 495 CG GLN A 31 -8.146 -2.559 -8.305 1.00 10.76 C ATOM 496 CD GLN A 31 -8.461 -1.247 -9.128 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.563 -0.740 -8.930 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.618 -0.809 -10.040 1.00 14.76 N ATOM 0 H GLN A 31 -4.744 -2.713 -6.060 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.251 -3.785 -5.784 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.744 -1.581 -7.008 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.002 -2.482 -8.314 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.153 -3.414 -8.982 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.941 -2.722 -7.577 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.715 -1.268 -10.162 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.868 -0.011 -10.624 1.00 14.76 H new ATOM 507 N ASP A 32 -5.542 -5.349 -8.133 1.00 10.93 N ATOM 508 CA ASP A 32 -5.457 -6.674 -8.726 1.00 14.01 C ATOM 509 C ASP A 32 -5.769 -7.866 -7.787 1.00 14.04 C ATOM 510 O ASP A 32 -6.535 -8.777 -8.174 1.00 13.39 O ATOM 511 CB ASP A 32 -4.031 -6.912 -9.328 1.00 18.01 C ATOM 512 CG ASP A 32 -3.848 -6.066 -10.572 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.848 -5.818 -11.292 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.653 -5.816 -10.950 1.00 26.29 O ATOM 0 H ASP A 32 -4.697 -4.788 -8.246 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.240 -6.662 -9.484 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.269 -6.660 -8.591 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.901 -7.966 -9.572 1.00 18.01 H new ATOM 519 N LYS A 33 -5.223 -7.906 -6.581 1.00 14.22 N ATOM 520 CA LYS A 33 -5.476 -8.905 -5.517 1.00 14.00 C ATOM 521 C LYS A 33 -6.922 -8.826 -4.895 1.00 12.37 C ATOM 522 O LYS A 33 -7.617 -9.818 -4.838 1.00 12.17 O ATOM 523 CB LYS A 33 -4.518 -8.689 -4.309 1.00 18.62 C ATOM 524 CG LYS A 33 -3.036 -8.853 -4.643 1.00 24.00 C ATOM 525 CD LYS A 33 -2.642 -10.303 -4.308 1.00 27.61 C ATOM 526 CE LYS A 33 -1.146 -10.470 -4.452 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.722 -10.376 -5.870 1.00 30.06 N ATOM 0 H LYS A 33 -4.546 -7.203 -6.286 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.330 -9.862 -6.018 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.679 -7.689 -3.907 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.781 -9.395 -3.521 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.855 -8.641 -5.697 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.434 -8.150 -4.068 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.949 -10.548 -3.291 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.161 -10.994 -4.973 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.636 -9.705 -3.867 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.846 -11.435 -4.045 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.295 -10.579 -5.942 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.254 -11.066 -6.438 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.910 -9.417 -6.226 1.00 30.06 H new ATOM 541 N GLU A 34 -7.309 -7.624 -4.426 1.00 10.11 N ATOM 542 CA GLU A 34 -8.368 -7.470 -3.374 1.00 10.07 C ATOM 543 C GLU A 34 -9.516 -6.679 -3.859 1.00 9.32 C ATOM 544 O GLU A 34 -10.555 -6.581 -3.173 1.00 11.61 O ATOM 545 CB GLU A 34 -7.889 -6.775 -2.113 1.00 14.77 C ATOM 546 CG GLU A 34 -6.710 -7.556 -1.466 1.00 18.75 C ATOM 547 CD GLU A 34 -7.016 -9.003 -1.104 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.819 -9.254 -0.174 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.540 -9.977 -1.764 1.00 21.95 O ATOM 0 H GLU A 34 -6.914 -6.741 -4.749 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.649 -8.498 -3.145 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.572 -5.760 -2.350 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.711 -6.694 -1.402 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.864 -7.541 -2.153 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.398 -7.030 -0.564 1.00 18.75 H new ATOM 556 N GLY A 35 -9.464 -6.093 -5.005 1.00 7.22 N ATOM 557 CA GLY A 35 -10.633 -5.498 -5.653 1.00 6.29 C ATOM 558 C GLY A 35 -11.060 -4.083 -5.195 1.00 6.93 C ATOM 559 O GLY A 35 -12.005 -3.483 -5.662 1.00 7.41 O ATOM 0 H GLY A 35 -8.604 -6.000 -5.546 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.441 -5.461 -6.725 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.479 -6.169 -5.504 1.00 6.29 H new ATOM 563 N ILE A 36 -10.345 -3.417 -4.223 1.00 5.86 N ATOM 564 CA ILE A 36 -10.686 -2.083 -3.718 1.00 6.07 C ATOM 565 C ILE A 36 -10.079 -1.026 -4.691 1.00 6.36 C ATOM 566 O ILE A 36 -8.905 -1.163 -5.062 1.00 6.18 O ATOM 567 CB ILE A 36 -10.063 -1.833 -2.378 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.458 -2.898 -1.412 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.445 -0.443 -1.791 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.576 -3.177 -0.141 1.00 9.49 C ATOM 0 H ILE A 36 -9.516 -3.814 -3.781 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.771 -2.015 -3.640 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.984 -1.847 -2.531 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.463 -2.661 -1.063 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.526 -3.832 -1.970 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.967 -0.314 -0.820 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.109 0.343 -2.468 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.527 -0.383 -1.673 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.021 -3.984 0.441 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.571 -3.465 -0.451 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.523 -2.276 0.470 1.00 9.49 H new ATOM 582 N PRO A 37 -10.799 0.040 -5.069 1.00 8.65 N ATOM 583 CA PRO A 37 -10.268 0.967 -6.051 1.00 9.18 C ATOM 584 C PRO A 37 -9.161 1.871 -5.462 1.00 9.85 C ATOM 585 O PRO A 37 -9.411 2.333 -4.330 1.00 8.51 O ATOM 586 CB PRO A 37 -11.529 1.773 -6.498 1.00 11.42 C ATOM 587 CG PRO A 37 -12.443 1.701 -5.252 1.00 9.27 C ATOM 588 CD PRO A 37 -12.217 0.246 -4.824 1.00 8.33 C ATOM 0 HA PRO A 37 -9.774 0.468 -6.885 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.280 2.802 -6.758 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.003 1.329 -7.373 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.148 2.411 -4.480 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.487 1.906 -5.491 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.470 0.092 -3.775 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.830 -0.444 -5.405 1.00 8.33 H new ATOM 596 N PRO A 38 -8.027 2.283 -6.095 1.00 8.71 N ATOM 597 CA PRO A 38 -6.992 3.117 -5.531 1.00 9.08 C ATOM 598 C PRO A 38 -7.419 4.416 -4.889 1.00 9.28 C ATOM 599 O PRO A 38 -6.658 4.992 -4.104 1.00 6.50 O ATOM 600 CB PRO A 38 -5.955 3.279 -6.654 1.00 10.31 C ATOM 601 CG PRO A 38 -6.051 1.982 -7.373 1.00 10.81 C ATOM 602 CD PRO A 38 -7.524 1.490 -7.158 1.00 12.00 C ATOM 0 HA PRO A 38 -6.581 2.626 -4.649 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.190 4.121 -7.304 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.954 3.451 -6.259 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.829 2.104 -8.433 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.335 1.261 -6.978 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.119 1.620 -8.062 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.553 0.430 -6.907 1.00 12.00 H new ATOM 610 N ASP A 39 -8.654 5.013 -5.154 1.00 11.20 N ATOM 611 CA ASP A 39 -9.205 6.191 -4.559 1.00 14.96 C ATOM 612 C ASP A 39 -9.872 5.920 -3.215 1.00 13.99 C ATOM 613 O ASP A 39 -10.193 6.838 -2.502 1.00 13.75 O ATOM 614 CB ASP A 39 -10.185 6.983 -5.454 1.00 24.16 C ATOM 615 CG ASP A 39 -9.601 7.389 -6.801 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.665 8.199 -6.885 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.274 6.951 -7.777 1.00 34.22 O ATOM 0 H ASP A 39 -9.289 4.612 -5.844 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.325 6.818 -4.413 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.076 6.379 -5.623 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.504 7.880 -4.922 1.00 24.16 H new ATOM 622 N GLN A 40 -10.087 4.665 -2.858 1.00 11.60 N ATOM 623 CA GLN A 40 -10.704 4.241 -1.634 1.00 10.76 C ATOM 624 C GLN A 40 -9.695 3.392 -0.850 1.00 8.01 C ATOM 625 O GLN A 40 -9.977 2.893 0.262 1.00 8.96 O ATOM 626 CB GLN A 40 -12.071 3.463 -1.799 1.00 11.14 C ATOM 627 CG GLN A 40 -13.115 4.447 -2.390 1.00 14.85 C ATOM 628 CD GLN A 40 -14.469 3.756 -2.458 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.885 3.382 -3.574 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.274 3.794 -1.342 1.00 18.16 N ATOM 0 H GLN A 40 -9.818 3.881 -3.453 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.974 5.148 -1.094 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.943 2.603 -2.457 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.410 3.080 -0.836 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.180 5.342 -1.771 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.807 4.769 -3.385 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.893 4.106 -0.449 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.251 3.510 -1.408 1.00 18.16 H new ATOM 639 N GLN A 41 -8.424 3.260 -1.296 1.00 6.52 N ATOM 640 CA GLN A 41 -7.396 2.651 -0.492 1.00 3.87 C ATOM 641 C GLN A 41 -6.545 3.708 0.072 1.00 4.79 C ATOM 642 O GLN A 41 -6.011 4.559 -0.625 1.00 6.34 O ATOM 643 CB GLN A 41 -6.399 1.863 -1.363 1.00 4.20 C ATOM 644 CG GLN A 41 -6.973 0.608 -2.030 1.00 3.20 C ATOM 645 CD GLN A 41 -5.963 -0.069 -2.925 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.777 -0.188 -2.544 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.370 -0.489 -4.100 1.00 7.13 N ATOM 0 H GLN A 41 -8.108 3.575 -2.213 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.904 2.025 0.242 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.015 2.525 -2.139 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.550 1.571 -0.744 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.304 -0.092 -1.262 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.852 0.878 -2.615 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.346 -0.373 -4.373 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.710 -0.931 -4.740 1.00 7.13 H new ATOM 656 N ARG A 42 -6.353 3.649 1.382 1.00 5.73 N ATOM 657 CA ARG A 42 -5.417 4.368 2.204 1.00 6.97 C ATOM 658 C ARG A 42 -4.435 3.353 2.722 1.00 7.15 C ATOM 659 O ARG A 42 -4.806 2.245 3.150 1.00 7.33 O ATOM 660 CB ARG A 42 -6.121 5.004 3.396 1.00 13.23 C ATOM 661 CG ARG A 42 -5.202 5.380 4.576 1.00 21.27 C ATOM 662 CD ARG A 42 -5.834 6.355 5.510 1.00 26.14 C ATOM 663 NE ARG A 42 -6.067 7.748 4.854 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.820 8.713 5.440 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.727 8.552 6.370 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.673 9.959 4.971 1.00 36.39 N ATOM 0 H ARG A 42 -6.921 3.020 1.950 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.937 5.157 1.625 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.636 5.903 3.057 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.885 4.315 3.756 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.936 4.477 5.126 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.275 5.803 4.189 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.788 5.956 5.855 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.201 6.473 6.389 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.637 7.942 3.950 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.929 7.619 6.729 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.232 9.360 6.735 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.020 10.144 4.210 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.214 10.723 5.375 1.00 36.39 H new ATOM 680 N LEU A 43 -3.111 3.610 2.624 1.00 4.65 N ATOM 681 CA LEU A 43 -2.109 2.688 3.050 1.00 3.51 C ATOM 682 C LEU A 43 -1.351 3.392 4.228 1.00 5.56 C ATOM 683 O LEU A 43 -1.097 4.616 4.168 1.00 4.19 O ATOM 684 CB LEU A 43 -1.038 2.317 1.966 1.00 3.74 C ATOM 685 CG LEU A 43 -1.655 1.873 0.638 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.656 1.561 -0.476 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.602 0.734 0.863 1.00 6.41 C ATOM 0 H LEU A 43 -2.736 4.477 2.240 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.612 1.756 3.309 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.394 3.179 1.790 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.403 1.518 2.350 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.201 2.740 0.266 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.195 1.256 -1.373 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.064 2.450 -0.693 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.004 0.754 -0.157 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.035 0.427 -0.089 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.064 -0.105 1.304 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.398 1.050 1.538 1.00 6.41 H new ATOM 699 N ILE A 44 -0.970 2.631 5.248 1.00 4.58 N ATOM 700 CA ILE A 44 -0.292 3.077 6.424 1.00 5.55 C ATOM 701 C ILE A 44 0.936 2.195 6.592 1.00 5.46 C ATOM 702 O ILE A 44 0.900 0.951 6.605 1.00 6.04 O ATOM 703 CB ILE A 44 -1.230 3.231 7.641 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.456 4.086 7.221 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.405 3.928 8.756 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.523 4.291 8.361 1.00 13.90 C ATOM 0 H ILE A 44 -1.145 1.626 5.260 1.00 4.58 H new ATOM 0 HA ILE A 44 0.064 4.103 6.326 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.602 2.273 8.003 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.106 5.063 6.887 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.940 3.612 6.367 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.028 4.060 9.641 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.459 3.313 9.008 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.066 4.902 8.403 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.346 4.899 7.984 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.905 3.321 8.681 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.058 4.795 9.208 1.00 13.90 H new ATOM 718 N PHE A 45 2.063 2.890 6.691 1.00 6.75 N ATOM 719 CA PHE A 45 3.320 2.263 7.112 1.00 4.70 C ATOM 720 C PHE A 45 3.990 2.994 8.288 1.00 6.34 C ATOM 721 O PHE A 45 4.406 4.126 8.126 1.00 5.45 O ATOM 722 CB PHE A 45 4.254 2.361 5.857 1.00 5.51 C ATOM 723 CG PHE A 45 5.531 1.612 6.003 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.512 0.265 6.384 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.752 2.302 5.817 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.770 -0.423 6.534 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.985 1.653 6.124 1.00 6.64 C ATOM 728 CZ PHE A 45 7.941 0.284 6.396 1.00 6.84 C ATOM 0 H PHE A 45 2.137 3.887 6.487 1.00 6.75 H new ATOM 0 HA PHE A 45 3.136 1.244 7.453 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.719 1.983 4.986 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.478 3.410 5.663 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.577 -0.246 6.561 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.751 3.316 5.444 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.792 -1.481 6.752 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.916 2.199 6.145 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.875 -0.247 6.504 1.00 6.84 H new ATOM 738 N ALA A 46 4.006 2.337 9.410 1.00 6.53 N ATOM 739 CA ALA A 46 4.436 2.862 10.687 1.00 7.15 C ATOM 740 C ALA A 46 3.753 4.173 11.142 1.00 9.00 C ATOM 741 O ALA A 46 4.391 5.131 11.530 1.00 11.15 O ATOM 742 CB ALA A 46 5.959 2.758 10.790 1.00 8.99 C ATOM 0 H ALA A 46 3.704 1.365 9.469 1.00 6.53 H new ATOM 0 HA ALA A 46 4.045 2.227 11.482 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.286 3.153 11.752 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.259 1.713 10.706 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.418 3.333 9.986 1.00 8.99 H new ATOM 748 N GLY A 47 2.419 4.225 11.186 1.00 9.35 N ATOM 749 CA GLY A 47 1.671 5.425 11.544 1.00 11.68 C ATOM 750 C GLY A 47 1.566 6.482 10.515 1.00 11.14 C ATOM 751 O GLY A 47 0.978 7.499 10.801 1.00 13.93 O ATOM 0 H GLY A 47 1.825 3.424 10.971 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.662 5.124 11.825 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.132 5.860 12.431 1.00 11.68 H new ATOM 755 N LYS A 48 2.156 6.283 9.310 1.00 10.47 N ATOM 756 CA LYS A 48 2.332 7.263 8.322 1.00 8.82 C ATOM 757 C LYS A 48 1.665 6.977 7.059 1.00 7.68 C ATOM 758 O LYS A 48 1.753 5.881 6.577 1.00 6.47 O ATOM 759 CB LYS A 48 3.845 7.376 8.016 1.00 9.74 C ATOM 760 CG LYS A 48 4.860 7.509 9.160 1.00 14.14 C ATOM 761 CD LYS A 48 4.759 8.778 9.924 1.00 16.32 C ATOM 762 CE LYS A 48 5.883 9.134 10.832 1.00 20.04 C ATOM 763 NZ LYS A 48 6.058 8.049 11.815 1.00 23.92 N ATOM 0 H LYS A 48 2.525 5.374 9.032 1.00 10.47 H new ATOM 0 HA LYS A 48 1.894 8.177 8.723 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.124 6.495 7.438 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.979 8.240 7.364 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.726 6.674 9.847 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.866 7.426 8.749 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.637 9.591 9.208 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.847 8.738 10.520 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.800 9.277 10.260 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.674 10.075 11.341 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.734 8.349 12.546 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.143 7.831 12.258 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.421 7.201 11.335 1.00 23.92 H new ATOM 777 N GLN A 49 0.812 7.905 6.603 1.00 8.89 N ATOM 778 CA GLN A 49 -0.053 7.786 5.458 1.00 7.18 C ATOM 779 C GLN A 49 0.711 7.862 4.178 1.00 8.23 C ATOM 780 O GLN A 49 1.440 8.814 3.993 1.00 9.70 O ATOM 781 CB GLN A 49 -1.275 8.778 5.442 1.00 11.67 C ATOM 782 CG GLN A 49 -2.270 8.554 6.617 1.00 15.82 C ATOM 783 CD GLN A 49 -1.620 8.829 8.020 1.00 20.21 C ATOM 784 OE1 GLN A 49 -1.066 9.903 8.215 1.00 23.23 O ATOM 785 NE2 GLN A 49 -1.833 7.886 8.948 1.00 20.67 N ATOM 0 H GLN A 49 0.714 8.809 7.065 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.491 6.792 5.552 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.903 9.802 5.482 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.809 8.669 4.498 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.133 9.207 6.487 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.638 7.528 6.586 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.305 7.018 8.694 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -1.523 8.036 9.908 1.00 20.67 H new ATOM 794 N LEU A 50 0.554 6.949 3.188 1.00 6.51 N ATOM 795 CA LEU A 50 1.389 6.941 1.991 1.00 7.41 C ATOM 796 C LEU A 50 0.663 7.693 0.846 1.00 8.27 C ATOM 797 O LEU A 50 -0.520 7.691 0.670 1.00 8.34 O ATOM 798 CB LEU A 50 1.852 5.540 1.567 1.00 7.13 C ATOM 799 CG LEU A 50 2.342 4.756 2.771 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.632 3.313 2.354 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.462 5.413 3.553 1.00 9.11 C ATOM 0 H LEU A 50 -0.150 6.211 3.208 1.00 6.51 H new ATOM 0 HA LEU A 50 2.312 7.468 2.234 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.030 5.008 1.089 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.650 5.622 0.829 1.00 7.13 H new ATOM 0 HG LEU A 50 1.535 4.747 3.504 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.984 2.749 3.217 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.721 2.856 1.968 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.398 3.305 1.579 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.742 4.776 4.392 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.325 5.556 2.902 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.126 6.380 3.927 1.00 9.11 H new ATOM 813 N GLU A 51 1.486 8.325 -0.025 1.00 9.43 N ATOM 814 CA GLU A 51 0.996 9.217 -1.075 1.00 11.90 C ATOM 815 C GLU A 51 1.345 8.685 -2.450 1.00 11.49 C ATOM 816 O GLU A 51 2.455 8.259 -2.693 1.00 9.88 O ATOM 817 CB GLU A 51 1.681 10.593 -1.007 1.00 16.56 C ATOM 818 CG GLU A 51 1.135 11.367 0.147 1.00 26.06 C ATOM 819 CD GLU A 51 1.842 12.702 0.234 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.906 12.747 0.872 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.321 13.732 -0.204 1.00 33.44 O ATOM 0 H GLU A 51 2.501 8.224 -0.011 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.081 9.288 -0.920 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.758 10.469 -0.898 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.515 11.139 -1.936 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.063 11.518 0.023 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.274 10.808 1.073 1.00 26.06 H new ATOM 828 N ASP A 52 0.376 8.701 -3.332 1.00 12.71 N ATOM 829 CA ASP A 52 0.389 8.009 -4.662 1.00 16.56 C ATOM 830 C ASP A 52 1.591 8.259 -5.514 1.00 15.83 C ATOM 831 O ASP A 52 2.211 7.274 -5.974 1.00 17.21 O ATOM 832 CB ASP A 52 -0.743 8.663 -5.512 1.00 21.05 C ATOM 833 CG ASP A 52 -2.177 8.396 -4.951 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.423 8.728 -3.753 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.949 7.826 -5.743 1.00 28.37 O ATOM 0 H ASP A 52 -0.493 9.209 -3.166 1.00 12.71 H new ATOM 0 HA ASP A 52 0.318 6.946 -4.431 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.575 9.739 -5.560 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.685 8.285 -6.533 1.00 21.05 H new ATOM 840 N GLY A 53 1.978 9.569 -5.553 1.00 15.00 N ATOM 841 CA GLY A 53 3.026 10.030 -6.428 1.00 11.77 C ATOM 842 C GLY A 53 4.539 9.724 -5.941 1.00 11.10 C ATOM 843 O GLY A 53 5.524 9.821 -6.707 1.00 11.25 O ATOM 0 H GLY A 53 1.561 10.301 -4.977 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.881 9.575 -7.408 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.917 11.107 -6.557 1.00 11.77 H new ATOM 847 N ARG A 54 4.679 9.298 -4.627 1.00 8.53 N ATOM 848 CA ARG A 54 5.879 8.833 -3.987 1.00 9.05 C ATOM 849 C ARG A 54 6.132 7.371 -4.212 1.00 8.96 C ATOM 850 O ARG A 54 5.264 6.516 -4.426 1.00 11.60 O ATOM 851 CB ARG A 54 5.878 9.283 -2.508 1.00 7.97 C ATOM 852 CG ARG A 54 5.484 10.704 -2.238 1.00 9.62 C ATOM 853 CD ARG A 54 5.784 11.285 -0.866 1.00 12.20 C ATOM 854 NE ARG A 54 5.067 12.556 -0.700 1.00 18.23 N ATOM 855 CZ ARG A 54 5.422 13.739 -1.146 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.560 13.921 -1.817 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.490 14.676 -1.116 1.00 23.38 N ATOM 0 H ARG A 54 3.883 9.288 -3.990 1.00 8.53 H new ATOM 0 HA ARG A 54 6.745 9.300 -4.456 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.202 8.631 -1.954 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.877 9.124 -2.103 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.976 11.333 -2.980 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.411 10.790 -2.408 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.483 10.582 -0.089 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.857 11.444 -0.754 1.00 12.20 H new ATOM 0 HE ARG A 54 4.192 12.515 -0.178 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.179 13.130 -1.995 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.811 14.851 -2.152 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.559 14.458 -0.760 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.702 15.617 -1.448 1.00 23.38 H new ATOM 871 N THR A 55 7.408 6.989 -4.039 1.00 9.05 N ATOM 872 CA THR A 55 7.955 5.674 -4.252 1.00 9.03 C ATOM 873 C THR A 55 8.110 4.966 -2.966 1.00 8.15 C ATOM 874 O THR A 55 8.306 5.609 -1.951 1.00 5.91 O ATOM 875 CB THR A 55 9.312 5.596 -5.036 1.00 11.15 C ATOM 876 OG1 THR A 55 10.295 6.378 -4.335 1.00 11.95 O ATOM 877 CG2 THR A 55 9.070 6.287 -6.368 1.00 11.71 C ATOM 0 H THR A 55 8.119 7.650 -3.725 1.00 9.05 H new ATOM 0 HA THR A 55 7.220 5.196 -4.899 1.00 9.03 H new ATOM 0 HB THR A 55 9.647 4.565 -5.145 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.131 5.871 -4.270 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.984 6.264 -6.961 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.275 5.771 -6.907 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.777 7.322 -6.193 1.00 11.71 H new ATOM 885 N LEU A 56 8.083 3.649 -2.947 1.00 6.91 N ATOM 886 CA LEU A 56 8.508 2.820 -1.883 1.00 8.29 C ATOM 887 C LEU A 56 9.918 3.120 -1.365 1.00 8.05 C ATOM 888 O LEU A 56 10.191 3.248 -0.189 1.00 10.17 O ATOM 889 CB LEU A 56 8.443 1.340 -2.375 1.00 6.60 C ATOM 890 CG LEU A 56 7.021 0.796 -2.632 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.137 -0.523 -3.498 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.267 0.530 -1.358 1.00 8.64 C ATOM 0 H LEU A 56 7.735 3.110 -3.740 1.00 6.91 H new ATOM 0 HA LEU A 56 7.841 3.011 -1.042 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.020 1.254 -3.296 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.929 0.706 -1.634 1.00 6.60 H new ATOM 0 HG LEU A 56 6.453 1.555 -3.169 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.141 -0.921 -3.689 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.624 -0.294 -4.446 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.726 -1.263 -2.956 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.274 0.149 -1.596 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.806 -0.208 -0.764 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.174 1.456 -0.790 1.00 8.64 H new ATOM 904 N SER A 57 10.866 3.353 -2.286 1.00 8.92 N ATOM 905 CA SER A 57 12.239 3.636 -2.063 1.00 9.00 C ATOM 906 C SER A 57 12.423 4.954 -1.282 1.00 9.44 C ATOM 907 O SER A 57 13.206 5.105 -0.386 1.00 10.91 O ATOM 908 CB SER A 57 13.240 3.664 -3.273 1.00 10.32 C ATOM 909 OG SER A 57 12.833 4.495 -4.362 1.00 13.59 O ATOM 0 H SER A 57 10.643 3.341 -3.281 1.00 8.92 H new ATOM 0 HA SER A 57 12.519 2.743 -1.504 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.212 4.005 -2.916 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.375 2.647 -3.640 1.00 10.32 H new ATOM 0 HG SER A 57 12.075 4.080 -4.824 1.00 13.59 H new ATOM 915 N ASP A 58 11.581 6.001 -1.524 1.00 9.11 N ATOM 916 CA ASP A 58 11.498 7.327 -0.896 1.00 7.91 C ATOM 917 C ASP A 58 11.087 7.259 0.586 1.00 9.12 C ATOM 918 O ASP A 58 11.603 7.991 1.386 1.00 8.61 O ATOM 919 CB ASP A 58 10.456 8.147 -1.673 1.00 8.41 C ATOM 920 CG ASP A 58 10.715 9.603 -1.410 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.659 10.202 -2.043 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.933 10.233 -0.624 1.00 10.05 O ATOM 0 H ASP A 58 10.869 5.911 -2.249 1.00 9.11 H new ATOM 0 HA ASP A 58 12.486 7.786 -0.929 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.524 7.935 -2.740 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.448 7.877 -1.358 1.00 8.41 H new ATOM 927 N TYR A 59 10.198 6.372 0.906 1.00 7.97 N ATOM 928 CA TYR A 59 9.721 6.122 2.262 1.00 8.45 C ATOM 929 C TYR A 59 10.712 5.302 3.056 1.00 10.98 C ATOM 930 O TYR A 59 10.522 4.994 4.234 1.00 12.95 O ATOM 931 CB TYR A 59 8.343 5.419 2.148 1.00 7.94 C ATOM 932 CG TYR A 59 7.236 6.416 1.904 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.859 7.348 2.948 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.399 6.278 0.783 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.768 8.185 2.782 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.349 7.154 0.607 1.00 6.52 C ATOM 937 CZ TYR A 59 5.070 8.168 1.566 1.00 6.76 C ATOM 938 OH TYR A 59 3.939 8.971 1.461 1.00 7.63 O ATOM 0 H TYR A 59 9.756 5.768 0.213 1.00 7.97 H new ATOM 0 HA TYR A 59 9.614 7.061 2.806 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.368 4.694 1.334 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.139 4.863 3.063 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.433 7.390 3.862 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.577 5.491 0.065 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.458 8.843 3.580 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.728 7.069 -0.273 1.00 6.52 H new ATOM 0 HH TYR A 59 4.189 9.908 1.603 1.00 7.63 H new ATOM 948 N ASN A 60 11.714 4.721 2.310 1.00 12.38 N ATOM 949 CA ASN A 60 12.816 3.932 2.824 1.00 13.94 C ATOM 950 C ASN A 60 12.340 2.628 3.391 1.00 14.16 C ATOM 951 O ASN A 60 12.807 2.102 4.424 1.00 14.26 O ATOM 952 CB ASN A 60 13.738 4.602 3.886 1.00 19.23 C ATOM 953 CG ASN A 60 14.343 5.850 3.270 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.085 5.677 2.325 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.988 7.057 3.741 1.00 24.09 N ATOM 0 H ASN A 60 11.746 4.814 1.295 1.00 12.38 H new ATOM 0 HA ASN A 60 13.430 3.800 1.933 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.167 4.857 4.778 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.523 3.913 4.197 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.347 7.903 3.299 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.359 7.127 4.541 1.00 24.09 H new ATOM 962 N ILE A 61 11.344 2.050 2.692 1.00 11.08 N ATOM 963 CA ILE A 61 10.739 0.759 2.928 1.00 11.78 C ATOM 964 C ILE A 61 11.700 -0.400 2.746 1.00 13.74 C ATOM 965 O ILE A 61 12.486 -0.293 1.808 1.00 14.60 O ATOM 966 CB ILE A 61 9.528 0.690 2.079 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.398 1.534 2.753 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.935 -0.738 1.980 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.261 1.982 1.835 1.00 11.42 C ATOM 0 H ILE A 61 10.922 2.522 1.892 1.00 11.08 H new ATOM 0 HA ILE A 61 10.453 0.658 3.975 1.00 11.78 H new ATOM 0 HB ILE A 61 9.830 1.041 1.092 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.972 0.949 3.568 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.850 2.420 3.199 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.050 -0.721 1.344 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.677 -1.411 1.551 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.660 -1.088 2.975 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.536 2.559 2.409 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.663 2.600 1.033 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.772 1.107 1.408 1.00 11.42 H new ATOM 981 N GLN A 62 11.618 -1.445 3.607 1.00 13.97 N ATOM 982 CA GLN A 62 12.594 -2.524 3.512 1.00 15.52 C ATOM 983 C GLN A 62 11.915 -3.831 3.102 1.00 13.94 C ATOM 984 O GLN A 62 10.707 -3.959 3.181 1.00 12.15 O ATOM 985 CB GLN A 62 13.337 -2.716 4.878 1.00 19.53 C ATOM 986 CG GLN A 62 12.457 -2.548 6.199 1.00 26.38 C ATOM 987 CD GLN A 62 13.360 -2.527 7.378 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.846 -3.603 7.791 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.545 -1.320 8.004 1.00 32.71 N ATOM 0 H GLN A 62 10.915 -1.550 4.338 1.00 13.97 H new ATOM 0 HA GLN A 62 13.324 -2.253 2.749 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.780 -3.712 4.888 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.159 -2.001 4.923 1.00 19.53 H new ATOM 0 HG2 GLN A 62 11.877 -1.626 6.151 1.00 26.38 H new ATOM 0 HG3 GLN A 62 11.744 -3.368 6.284 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.122 -0.475 7.618 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.105 -1.267 8.855 1.00 32.71 H new ATOM 998 N LYS A 63 12.710 -4.885 2.740 1.00 11.73 N ATOM 999 CA LYS A 63 12.309 -6.227 2.506 1.00 11.97 C ATOM 1000 C LYS A 63 11.781 -6.946 3.766 1.00 10.41 C ATOM 1001 O LYS A 63 12.251 -6.823 4.861 1.00 9.59 O ATOM 1002 CB LYS A 63 13.386 -7.100 1.780 1.00 13.73 C ATOM 1003 CG LYS A 63 14.492 -7.718 2.745 1.00 16.98 C ATOM 1004 CD LYS A 63 15.853 -8.261 2.125 1.00 20.19 C ATOM 1005 CE LYS A 63 16.542 -7.086 1.413 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.830 -7.505 0.934 1.00 25.97 N ATOM 0 H LYS A 63 13.714 -4.763 2.606 1.00 11.73 H new ATOM 0 HA LYS A 63 11.471 -6.122 1.817 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.884 -7.913 1.256 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.881 -6.490 1.024 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.749 -6.955 3.480 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.029 -8.541 3.289 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.496 -8.664 2.907 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.657 -9.072 1.423 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.928 -6.740 0.582 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.653 -6.246 2.099 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.297 -6.710 0.452 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.415 -7.815 1.736 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.712 -8.294 0.266 1.00 25.97 H new ATOM 1020 N GLU A 64 10.608 -7.564 3.512 1.00 10.04 N ATOM 1021 CA GLU A 64 9.829 -8.258 4.509 1.00 10.94 C ATOM 1022 C GLU A 64 9.077 -7.324 5.493 1.00 9.74 C ATOM 1023 O GLU A 64 8.738 -7.672 6.633 1.00 9.42 O ATOM 1024 CB GLU A 64 10.520 -9.505 5.104 1.00 18.31 C ATOM 1025 CG GLU A 64 10.765 -10.645 4.048 1.00 24.16 C ATOM 1026 CD GLU A 64 11.173 -11.933 4.688 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.545 -11.966 5.893 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.998 -13.043 4.034 1.00 31.72 O ATOM 0 H GLU A 64 10.185 -7.584 2.584 1.00 10.04 H new ATOM 0 HA GLU A 64 9.000 -8.713 3.967 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.475 -9.210 5.538 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.909 -9.897 5.917 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.855 -10.802 3.468 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.538 -10.329 3.348 1.00 24.16 H new ATOM 1035 N SER A 65 8.800 -6.064 5.038 1.00 6.85 N ATOM 1036 CA SER A 65 7.984 -5.095 5.752 1.00 6.90 C ATOM 1037 C SER A 65 6.523 -5.493 5.864 1.00 4.72 C ATOM 1038 O SER A 65 6.070 -6.306 5.095 1.00 3.91 O ATOM 1039 CB SER A 65 8.052 -3.693 5.141 1.00 7.28 C ATOM 1040 OG SER A 65 9.348 -3.108 5.137 1.00 10.56 O ATOM 0 H SER A 65 9.154 -5.711 4.149 1.00 6.85 H new ATOM 0 HA SER A 65 8.420 -5.080 6.751 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.687 -3.741 4.115 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.375 -3.039 5.690 1.00 7.28 H new ATOM 0 HG SER A 65 9.726 -3.156 4.234 1.00 10.56 H new ATOM 1046 N THR A 66 5.778 -4.993 6.916 1.00 4.48 N ATOM 1047 CA THR A 66 4.354 -5.241 7.039 1.00 3.80 C ATOM 1048 C THR A 66 3.634 -3.899 6.920 1.00 4.60 C ATOM 1049 O THR A 66 3.744 -3.081 7.850 1.00 5.33 O ATOM 1050 CB THR A 66 3.925 -6.085 8.229 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.317 -7.458 8.020 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.396 -6.091 8.431 1.00 3.40 C ATOM 0 H THR A 66 6.170 -4.424 7.667 1.00 4.48 H new ATOM 0 HA THR A 66 4.053 -5.894 6.220 1.00 3.80 H new ATOM 0 HB THR A 66 4.405 -5.646 9.103 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.040 -7.998 8.790 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.145 -6.708 9.294 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.047 -5.072 8.600 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.913 -6.497 7.542 1.00 3.40 H new ATOM 1060 N LEU A 67 2.854 -3.665 5.872 1.00 4.17 N ATOM 1061 CA LEU A 67 2.020 -2.408 5.620 1.00 3.85 C ATOM 1062 C LEU A 67 0.578 -2.660 5.957 1.00 3.80 C ATOM 1063 O LEU A 67 0.112 -3.842 6.035 1.00 5.54 O ATOM 1064 CB LEU A 67 2.152 -1.943 4.119 1.00 7.18 C ATOM 1065 CG LEU A 67 3.652 -1.643 3.664 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.432 -2.770 2.949 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.745 -0.304 2.899 1.00 11.66 C ATOM 0 H LEU A 67 2.753 -4.348 5.121 1.00 4.17 H new ATOM 0 HA LEU A 67 2.398 -1.614 6.263 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.734 -2.714 3.472 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.552 -1.045 3.973 1.00 7.18 H new ATOM 0 HG LEU A 67 4.182 -1.572 4.614 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.434 -2.419 2.701 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.503 -3.637 3.606 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.910 -3.050 2.034 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.778 -0.126 2.602 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.114 -0.348 2.011 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.408 0.508 3.544 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.187 -1.638 6.200 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.620 -1.792 6.653 1.00 4.17 C ATOM 1081 C HIS A 68 -2.550 -1.150 5.643 1.00 5.32 C ATOM 1082 O HIS A 68 -2.252 -0.044 5.151 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.799 -0.957 7.937 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.827 -1.294 8.993 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.342 -0.642 9.223 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.736 -2.399 9.814 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.110 -1.343 10.116 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.467 -2.427 10.490 1.00 16.30 N ATOM 0 H HIS A 68 0.118 -0.669 6.105 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.837 -2.852 6.786 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.705 0.101 7.690 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.808 -1.106 8.321 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.610 0.243 8.793 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.508 -3.147 9.915 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.091 -1.050 10.459 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.633 -1.771 5.232 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.543 -1.288 4.247 1.00 3.97 C ATOM 1098 C LEU A 69 -5.817 -0.911 4.866 1.00 5.07 C ATOM 1099 O LEU A 69 -6.531 -1.684 5.525 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.760 -2.422 3.206 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.924 -2.351 2.238 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.777 -1.140 1.323 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.041 -3.643 1.458 1.00 9.96 C ATOM 0 H LEU A 69 -3.908 -2.679 5.606 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.138 -0.400 3.761 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.849 -2.495 2.612 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.856 -3.356 3.760 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.850 -2.226 2.799 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.620 -1.101 0.633 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.757 -0.231 1.923 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.849 -1.222 0.758 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.882 -3.576 0.767 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.122 -3.813 0.896 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.203 -4.471 2.148 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.188 0.384 4.748 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.392 0.947 5.322 1.00 6.26 C ATOM 1117 C VAL A 70 -8.314 1.371 4.197 1.00 9.22 C ATOM 1118 O VAL A 70 -7.963 2.158 3.297 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.088 2.118 6.210 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.379 2.714 6.740 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.310 1.549 7.450 1.00 8.54 C ATOM 0 H VAL A 70 -5.632 1.068 4.235 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.873 0.189 5.940 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.526 2.873 5.659 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.150 3.563 7.384 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.996 3.047 5.905 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.920 1.960 7.312 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.064 2.364 8.130 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.934 0.820 7.968 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.392 1.067 7.114 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.502 0.691 4.163 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.618 1.143 3.312 1.00 16.06 C ATOM 1133 C LEU A 71 -11.037 2.547 3.621 1.00 18.09 C ATOM 1134 O LEU A 71 -11.444 2.874 4.712 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.849 0.202 3.384 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.080 0.504 2.437 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.721 0.464 0.955 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.257 -0.490 2.687 1.00 19.57 C ATOM 0 H LEU A 71 -9.696 -0.150 4.706 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.230 1.113 2.294 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.506 -0.811 3.171 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.211 0.207 4.412 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.388 1.519 2.690 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.608 0.679 0.360 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.954 1.210 0.746 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.344 -0.526 0.699 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.084 -0.251 2.018 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.920 -1.509 2.497 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.591 -0.406 3.721 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.830 3.489 2.688 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.187 4.889 2.899 1.00 25.83 C ATOM 1152 C ARG A 72 -12.477 5.214 2.135 1.00 27.74 C ATOM 1153 O ARG A 72 -12.772 4.767 1.021 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.041 5.762 2.352 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.175 7.301 2.416 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.943 7.975 1.873 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.105 9.454 2.070 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.047 10.246 1.857 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.834 9.827 1.431 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.134 11.572 2.110 1.00 35.02 N ATOM 0 H ARG A 72 -10.414 3.298 1.776 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.344 5.081 3.960 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.133 5.488 2.890 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.888 5.488 1.308 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.048 7.617 1.845 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.339 7.612 3.448 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.052 7.616 2.389 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.815 7.742 0.816 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.001 9.847 2.360 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.672 8.837 1.246 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.081 10.501 1.294 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.005 11.968 2.463 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.328 12.176 1.948 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.404 5.840 2.757 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.644 6.347 2.095 1.00 30.76 C ATOM 1176 C LEU A 73 -14.459 7.611 1.299 1.00 32.18 C ATOM 1177 O LEU A 73 -13.562 8.420 1.528 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.740 6.592 3.213 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.261 5.361 3.918 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.464 5.809 4.722 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.540 4.206 2.911 1.00 29.11 C ATOM 0 H LEU A 73 -13.365 6.040 3.756 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.947 5.586 1.376 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.321 7.264 3.962 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.584 7.109 2.757 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.526 4.930 4.598 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.884 4.956 5.255 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.159 6.571 5.439 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.216 6.223 4.051 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.914 3.335 3.450 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.285 4.529 2.184 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.617 3.944 2.393 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.273 7.879 0.235 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.131 9.007 -0.643 1.00 35.33 C ATOM 1195 C ARG A 74 -15.523 10.340 0.009 1.00 36.22 C ATOM 1196 O ARG A 74 -16.396 10.336 0.866 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.017 8.805 -1.958 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.784 7.418 -2.651 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.587 7.189 -3.967 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.904 6.002 -4.639 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.042 6.136 -5.629 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.584 7.339 -6.068 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.618 5.089 -6.303 1.00 41.93 N ATOM 0 H ARG A 74 -16.059 7.279 -0.015 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.071 9.057 -0.892 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.071 8.901 -1.697 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.790 9.601 -2.667 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.721 7.314 -2.870 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.043 6.629 -1.945 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.635 6.976 -3.759 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.562 8.073 -4.605 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.124 5.062 -4.308 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.907 8.200 -5.627 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.917 7.380 -6.839 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.956 4.157 -6.063 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.952 5.209 -7.066 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.912 11.489 -0.457 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.227 12.823 -0.008 1.00 36.07 C ATOM 1219 C GLY A 75 -14.414 13.277 1.226 1.00 36.16 C ATOM 1220 O GLY A 75 -14.711 14.327 1.812 1.00 36.26 O ATOM 0 H GLY A 75 -14.180 11.470 -1.167 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.049 13.522 -0.825 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.289 12.874 0.230 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.433 12.529 1.645 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.723 12.755 2.880 1.00 36.19 C ATOM 1226 C GLY A 76 -11.406 12.106 2.983 1.00 36.20 C ATOM 1227 O GLY A 76 -11.351 10.869 2.698 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.414 12.773 3.418 1.00 0.00 O ATOM 0 H GLY A 76 -13.092 11.721 1.124 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.590 13.829 3.011 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.345 12.408 3.705 1.00 36.19 H new TER 1232 GLY A 76