USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 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 48 LYS NZ :NH3+ -141:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.1 K(o=1.1,f=-6.3!) USER MOD Set 2.1: A 7 THR OG1 : rot 130:sc= 1.17 USER MOD Set 2.2: A 9 THR OG1 : rot -170:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 151:sc= -1.64 (180deg=-2.72!) USER MOD Single : A 1 MET N :NH3+ -146:sc= 0.823 (180deg=-0.317!) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.371 F(o=-2.8!,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.735 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0051 USER MOD Single : A 25 ASN : amide:sc= -0.115 K(o=-0.11,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00572 K(o=-0.0057,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.099 K(o=-0.099,f=-7.7!) USER MOD Single : A 41 GLN :FLIP amide:sc= -1 F(o=-2,f=-1) USER MOD Single : A 49 GLN : amide:sc=-0.00943 K(o=-0.0094,f=-0.84) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00627 USER MOD Single : A 57 SER OG : rot -170:sc= -0.384 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0945 F(o=-0.65,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.067 -8.686 -0.934 1.00 0.00 N ATOM 2 CA MET A 1 11.832 -7.401 -1.608 1.00 0.00 C ATOM 3 C MET A 1 10.344 -7.092 -1.712 1.00 0.00 C ATOM 4 O MET A 1 9.963 -5.925 -1.783 1.00 0.00 O ATOM 5 CB MET A 1 12.503 -7.337 -2.975 1.00 0.00 C ATOM 6 CG MET A 1 12.473 -5.881 -3.431 1.00 0.00 C ATOM 7 SD MET A 1 13.415 -5.544 -4.934 1.00 0.00 S ATOM 8 CE MET A 1 13.162 -3.755 -5.002 1.00 0.00 C ATOM 0 H1 MET A 1 12.944 -8.631 -0.377 1.00 0.00 H new ATOM 0 H2 MET A 1 11.269 -8.898 -0.302 1.00 0.00 H new ATOM 0 H3 MET A 1 12.155 -9.440 -1.645 1.00 0.00 H new ATOM 0 HA MET A 1 12.293 -6.631 -0.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.529 -7.700 -2.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.981 -7.974 -3.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.436 -5.586 -3.594 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.860 -5.254 -2.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.014 -3.285 -5.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.254 -3.537 -5.564 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.066 -3.362 -3.990 1.00 0.00 H new ATOM 18 N GLN A 2 9.505 -8.127 -1.807 1.00 0.00 N ATOM 19 CA GLN A 2 8.090 -7.936 -2.045 1.00 0.00 C ATOM 20 C GLN A 2 7.395 -7.896 -0.696 1.00 0.00 C ATOM 21 O GLN A 2 8.009 -8.202 0.324 1.00 0.00 O ATOM 22 CB GLN A 2 7.564 -9.117 -2.862 1.00 0.00 C ATOM 23 CG GLN A 2 8.071 -9.035 -4.300 1.00 0.00 C ATOM 24 CD GLN A 2 7.709 -10.299 -5.072 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.182 -10.134 -6.286 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 7.907 -11.407 -4.580 1.00 0.00 N flip ATOM 0 H GLN A 2 9.791 -9.102 -1.721 1.00 0.00 H new ATOM 0 HA GLN A 2 7.905 -7.011 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.887 -10.054 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.474 -9.117 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.639 -8.165 -4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.152 -8.899 -4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.313 -11.486 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.666 -12.248 -5.104 1.00 0.00 H new ATOM 35 N ILE A 3 6.134 -7.465 -0.676 1.00 0.00 N ATOM 36 CA ILE A 3 5.462 -7.225 0.585 1.00 0.00 C ATOM 37 C ILE A 3 4.046 -7.784 0.566 1.00 0.00 C ATOM 38 O ILE A 3 3.579 -8.277 -0.459 1.00 0.00 O ATOM 39 CB ILE A 3 5.449 -5.722 0.870 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.724 -4.989 -0.262 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.883 -5.207 0.987 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.639 -3.496 0.045 1.00 0.00 C ATOM 0 H ILE A 3 5.572 -7.280 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 3 6.004 -7.738 1.380 1.00 0.00 H new ATOM 0 HB ILE A 3 4.926 -5.538 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.252 -5.145 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.722 -5.399 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.870 -4.136 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.390 -5.724 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.414 -5.393 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.121 -2.986 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.090 -3.346 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.644 -3.088 0.147 1.00 0.00 H new ATOM 54 N PHE A 4 3.355 -7.674 1.705 1.00 0.00 N ATOM 55 CA PHE A 4 2.003 -8.176 1.850 1.00 0.00 C ATOM 56 C PHE A 4 1.128 -7.104 2.486 1.00 0.00 C ATOM 57 O PHE A 4 1.288 -6.781 3.661 1.00 0.00 O ATOM 58 CB PHE A 4 2.021 -9.450 2.694 1.00 0.00 C ATOM 59 CG PHE A 4 2.743 -10.598 2.028 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.027 -11.529 1.264 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.131 -10.731 2.170 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.696 -12.592 0.644 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.802 -11.790 1.545 1.00 0.00 C ATOM 64 CZ PHE A 4 4.084 -12.721 0.782 1.00 0.00 C ATOM 0 H PHE A 4 3.725 -7.233 2.547 1.00 0.00 H new ATOM 0 HA PHE A 4 1.587 -8.420 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.497 -9.237 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.995 -9.750 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.958 -11.427 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.684 -10.016 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.142 -13.312 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.872 -11.889 1.651 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.601 -13.538 0.300 1.00 0.00 H new ATOM 74 N VAL A 5 0.220 -6.533 1.690 1.00 0.00 N ATOM 75 CA VAL A 5 -0.674 -5.486 2.146 1.00 0.00 C ATOM 76 C VAL A 5 -2.002 -6.109 2.557 1.00 0.00 C ATOM 77 O VAL A 5 -2.621 -6.819 1.768 1.00 0.00 O ATOM 78 CB VAL A 5 -0.878 -4.475 1.017 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.776 -3.339 1.500 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.468 -3.899 0.579 1.00 0.00 C ATOM 0 H VAL A 5 0.090 -6.790 0.711 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.247 -4.970 3.006 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.346 -4.981 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.919 -2.620 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.742 -3.743 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.308 -2.842 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.312 -3.180 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.943 -3.400 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.111 -4.705 0.225 1.00 0.00 H new ATOM 90 N LYS A 6 -2.439 -5.852 3.793 1.00 0.00 N ATOM 91 CA LYS A 6 -3.658 -6.446 4.310 1.00 0.00 C ATOM 92 C LYS A 6 -4.770 -5.404 4.366 1.00 0.00 C ATOM 93 O LYS A 6 -4.657 -4.410 5.082 1.00 0.00 O ATOM 94 CB LYS A 6 -3.378 -7.036 5.692 1.00 0.00 C ATOM 95 CG LYS A 6 -4.544 -7.918 6.130 1.00 0.00 C ATOM 96 CD LYS A 6 -4.176 -8.630 7.429 1.00 0.00 C ATOM 97 CE LYS A 6 -5.293 -9.593 7.824 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.926 -10.368 9.020 1.00 0.00 N ATOM 0 H LYS A 6 -1.960 -5.235 4.449 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.991 -7.246 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.458 -7.621 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.226 -6.234 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.439 -7.313 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.775 -8.648 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.241 -9.175 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.015 -7.900 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.209 -9.034 8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.502 -10.272 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.703 -11.014 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.065 -10.919 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.750 -9.719 9.814 1.00 0.00 H new ATOM 112 N THR A 7 -5.829 -5.619 3.580 1.00 0.00 N ATOM 113 CA THR A 7 -6.969 -4.719 3.534 1.00 0.00 C ATOM 114 C THR A 7 -7.685 -4.716 4.879 1.00 0.00 C ATOM 115 O THR A 7 -7.350 -5.499 5.766 1.00 0.00 O ATOM 116 CB THR A 7 -7.928 -5.173 2.433 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.434 -6.447 2.759 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.205 -5.249 1.090 1.00 0.00 C ATOM 0 H THR A 7 -5.913 -6.424 2.960 1.00 0.00 H new ATOM 0 HA THR A 7 -6.623 -3.708 3.319 1.00 0.00 H new ATOM 0 HB THR A 7 -8.742 -4.452 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.411 -6.439 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.903 -5.574 0.319 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.811 -4.266 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.383 -5.962 1.159 1.00 0.00 H new ATOM 126 N ALA A 8 -8.704 -3.863 5.014 1.00 0.00 N ATOM 127 CA ALA A 8 -9.489 -3.795 6.231 1.00 0.00 C ATOM 128 C ALA A 8 -10.382 -5.026 6.350 1.00 0.00 C ATOM 129 O ALA A 8 -10.988 -5.252 7.395 1.00 0.00 O ATOM 130 CB ALA A 8 -10.334 -2.524 6.218 1.00 0.00 C ATOM 0 H ALA A 8 -8.999 -3.211 4.287 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.821 -3.771 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.925 -2.471 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.681 -1.653 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.000 -2.539 5.355 1.00 0.00 H new ATOM 136 N THR A 9 -10.462 -5.827 5.283 1.00 0.00 N ATOM 137 CA THR A 9 -11.244 -7.050 5.296 1.00 0.00 C ATOM 138 C THR A 9 -10.335 -8.241 5.585 1.00 0.00 C ATOM 139 O THR A 9 -10.806 -9.371 5.701 1.00 0.00 O ATOM 140 CB THR A 9 -11.962 -7.214 3.956 1.00 0.00 C ATOM 141 OG1 THR A 9 -11.035 -7.173 2.895 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.986 -6.094 3.783 1.00 0.00 C ATOM 0 H THR A 9 -9.989 -5.642 4.398 1.00 0.00 H new ATOM 0 HA THR A 9 -11.996 -6.999 6.083 1.00 0.00 H new ATOM 0 HB THR A 9 -12.469 -8.179 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.516 -7.120 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.497 -6.212 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.715 -6.139 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.478 -5.130 3.806 1.00 0.00 H new ATOM 150 N GLY A 10 -9.033 -7.981 5.726 1.00 0.00 N ATOM 151 CA GLY A 10 -8.066 -9.011 6.055 1.00 0.00 C ATOM 152 C GLY A 10 -7.534 -9.693 4.799 1.00 0.00 C ATOM 153 O GLY A 10 -6.697 -10.589 4.891 1.00 0.00 O ATOM 0 H GLY A 10 -8.628 -7.051 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.238 -8.571 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.529 -9.753 6.706 1.00 0.00 H new ATOM 157 N LYS A 11 -8.031 -9.290 3.627 1.00 0.00 N ATOM 158 CA LYS A 11 -7.584 -9.861 2.370 1.00 0.00 C ATOM 159 C LYS A 11 -6.156 -9.415 2.083 1.00 0.00 C ATOM 160 O LYS A 11 -5.895 -8.226 1.915 1.00 0.00 O ATOM 161 CB LYS A 11 -8.529 -9.433 1.249 1.00 0.00 C ATOM 162 CG LYS A 11 -9.931 -9.964 1.544 1.00 0.00 C ATOM 163 CD LYS A 11 -10.889 -9.532 0.439 1.00 0.00 C ATOM 164 CE LYS A 11 -12.291 -10.034 0.772 1.00 0.00 C ATOM 165 NZ LYS A 11 -13.263 -9.603 -0.245 1.00 0.00 N ATOM 0 H LYS A 11 -8.745 -8.568 3.530 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.596 -10.949 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.548 -8.346 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.175 -9.817 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.910 -11.051 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.278 -9.587 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.890 -8.446 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.563 -9.934 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.285 -11.122 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.592 -9.659 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.208 -9.958 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.283 -8.564 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.986 -9.982 -1.173 1.00 0.00 H new ATOM 179 N THR A 12 -5.225 -10.371 2.073 1.00 0.00 N ATOM 180 CA THR A 12 -3.822 -10.096 1.833 1.00 0.00 C ATOM 181 C THR A 12 -3.581 -9.840 0.350 1.00 0.00 C ATOM 182 O THR A 12 -4.161 -10.515 -0.500 1.00 0.00 O ATOM 183 CB THR A 12 -2.994 -11.288 2.310 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.399 -11.649 3.613 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.513 -10.924 2.314 1.00 0.00 C ATOM 0 H THR A 12 -5.431 -11.357 2.232 1.00 0.00 H new ATOM 0 HA THR A 12 -3.524 -9.204 2.384 1.00 0.00 H new ATOM 0 HB THR A 12 -3.151 -12.129 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.870 -12.415 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.929 -11.779 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.202 -10.652 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.347 -10.081 2.984 1.00 0.00 H new ATOM 193 N ILE A 13 -2.713 -8.873 0.041 1.00 0.00 N ATOM 194 CA ILE A 13 -2.357 -8.548 -1.327 1.00 0.00 C ATOM 195 C ILE A 13 -0.840 -8.521 -1.473 1.00 0.00 C ATOM 196 O ILE A 13 -0.183 -7.607 -0.977 1.00 0.00 O ATOM 197 CB ILE A 13 -2.971 -7.200 -1.722 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.474 -7.198 -1.423 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.725 -6.954 -3.211 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.083 -5.836 -1.752 1.00 0.00 C ATOM 0 H ILE A 13 -2.241 -8.298 0.739 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.753 -9.312 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.505 -6.403 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.968 -7.975 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.642 -7.434 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.159 -5.996 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.652 -6.939 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.187 -7.751 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.151 -5.853 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.601 -5.067 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.932 -5.616 -2.809 1.00 0.00 H new ATOM 212 N THR A 14 -0.285 -9.533 -2.143 1.00 0.00 N ATOM 213 CA THR A 14 1.138 -9.595 -2.422 1.00 0.00 C ATOM 214 C THR A 14 1.481 -8.530 -3.458 1.00 0.00 C ATOM 215 O THR A 14 0.866 -8.492 -4.522 1.00 0.00 O ATOM 216 CB THR A 14 1.488 -10.986 -2.948 1.00 0.00 C ATOM 217 OG1 THR A 14 0.983 -11.967 -2.068 1.00 0.00 O ATOM 218 CG2 THR A 14 3.004 -11.130 -3.057 1.00 0.00 C ATOM 0 H THR A 14 -0.814 -10.327 -2.504 1.00 0.00 H new ATOM 0 HA THR A 14 1.713 -9.410 -1.514 1.00 0.00 H new ATOM 0 HB THR A 14 1.042 -11.119 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.568 -12.037 -1.285 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.249 -12.124 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.393 -10.377 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.454 -10.992 -2.074 1.00 0.00 H new ATOM 226 N LEU A 15 2.405 -7.623 -3.128 1.00 0.00 N ATOM 227 CA LEU A 15 2.728 -6.527 -4.025 1.00 0.00 C ATOM 228 C LEU A 15 4.205 -6.557 -4.406 1.00 0.00 C ATOM 229 O LEU A 15 5.032 -7.072 -3.656 1.00 0.00 O ATOM 230 CB LEU A 15 2.366 -5.207 -3.347 1.00 0.00 C ATOM 231 CG LEU A 15 2.037 -4.157 -4.405 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.730 -4.529 -5.106 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.886 -2.800 -3.725 1.00 0.00 C ATOM 0 H LEU A 15 2.933 -7.631 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 15 2.152 -6.629 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.512 -5.350 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.196 -4.866 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 15 2.838 -4.112 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.496 -3.779 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.838 -5.503 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.076 -4.571 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.651 -2.043 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.081 -2.848 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.818 -2.538 -3.224 1.00 0.00 H new ATOM 245 N GLU A 16 4.532 -5.978 -5.564 1.00 0.00 N ATOM 246 CA GLU A 16 5.892 -5.936 -6.068 1.00 0.00 C ATOM 247 C GLU A 16 6.186 -4.564 -6.661 1.00 0.00 C ATOM 248 O GLU A 16 5.653 -4.221 -7.715 1.00 0.00 O ATOM 249 CB GLU A 16 6.068 -7.021 -7.125 1.00 0.00 C ATOM 250 CG GLU A 16 7.503 -7.010 -7.645 1.00 0.00 C ATOM 251 CD GLU A 16 7.704 -8.081 -8.709 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.744 -8.849 -8.936 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.839 -8.156 -9.228 1.00 0.00 O ATOM 0 H GLU A 16 3.852 -5.525 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 16 6.591 -6.114 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.833 -7.997 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.372 -6.856 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.736 -6.030 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.195 -7.178 -6.819 1.00 0.00 H new ATOM 260 N VAL A 17 7.034 -3.780 -5.992 1.00 0.00 N ATOM 261 CA VAL A 17 7.399 -2.463 -6.485 1.00 0.00 C ATOM 262 C VAL A 17 8.915 -2.291 -6.473 1.00 0.00 C ATOM 263 O VAL A 17 9.627 -3.077 -5.850 1.00 0.00 O ATOM 264 CB VAL A 17 6.720 -1.388 -5.632 1.00 0.00 C ATOM 265 CG1 VAL A 17 5.201 -1.511 -5.750 1.00 0.00 C ATOM 266 CG2 VAL A 17 7.130 -1.537 -4.167 1.00 0.00 C ATOM 0 H VAL A 17 7.476 -4.039 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 17 7.059 -2.359 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 17 7.034 -0.408 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.725 -0.743 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.905 -1.383 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.888 -2.496 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.640 -0.766 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.832 -2.520 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.211 -1.431 -4.079 1.00 0.00 H new ATOM 276 N GLU A 18 9.403 -1.242 -7.142 1.00 0.00 N ATOM 277 CA GLU A 18 10.816 -0.908 -7.135 1.00 0.00 C ATOM 278 C GLU A 18 11.081 0.100 -6.022 1.00 0.00 C ATOM 279 O GLU A 18 10.158 0.764 -5.556 1.00 0.00 O ATOM 280 CB GLU A 18 11.235 -0.354 -8.495 1.00 0.00 C ATOM 281 CG GLU A 18 11.185 -1.471 -9.538 1.00 0.00 C ATOM 282 CD GLU A 18 10.808 -0.928 -10.910 1.00 0.00 C ATOM 283 OE1 GLU A 18 9.741 -1.347 -11.410 1.00 0.00 O ATOM 284 OE2 GLU A 18 11.684 -0.272 -11.515 1.00 0.00 O ATOM 0 H GLU A 18 8.828 -0.609 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 18 11.408 -1.804 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.573 0.461 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.242 0.059 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.156 -1.964 -9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.461 -2.226 -9.231 1.00 0.00 H new ATOM 291 N PRO A 19 12.326 0.162 -5.539 1.00 0.00 N ATOM 292 CA PRO A 19 12.698 0.966 -4.395 1.00 0.00 C ATOM 293 C PRO A 19 12.358 2.438 -4.589 1.00 0.00 C ATOM 294 O PRO A 19 12.109 3.142 -3.614 1.00 0.00 O ATOM 295 CB PRO A 19 14.209 0.786 -4.233 1.00 0.00 C ATOM 296 CG PRO A 19 14.541 -0.490 -5.008 1.00 0.00 C ATOM 297 CD PRO A 19 13.446 -0.583 -6.066 1.00 0.00 C ATOM 0 HA PRO A 19 12.146 0.647 -3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.753 1.642 -4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.485 0.693 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.530 -0.433 -5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.540 -1.363 -4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.782 -0.165 -7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.171 -1.621 -6.255 1.00 0.00 H new ATOM 305 N SER A 20 12.299 2.892 -5.844 1.00 0.00 N ATOM 306 CA SER A 20 12.137 4.304 -6.140 1.00 0.00 C ATOM 307 C SER A 20 10.837 4.563 -6.886 1.00 0.00 C ATOM 308 O SER A 20 10.719 5.561 -7.594 1.00 0.00 O ATOM 309 CB SER A 20 13.331 4.791 -6.956 1.00 0.00 C ATOM 310 OG SER A 20 14.527 4.534 -6.252 1.00 0.00 O ATOM 0 H SER A 20 12.362 2.294 -6.668 1.00 0.00 H new ATOM 0 HA SER A 20 12.092 4.856 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.352 4.288 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.237 5.859 -7.154 1.00 0.00 H new ATOM 0 HG SER A 20 15.291 4.847 -6.780 1.00 0.00 H new ATOM 316 N ASP A 21 9.869 3.653 -6.759 1.00 0.00 N ATOM 317 CA ASP A 21 8.596 3.815 -7.438 1.00 0.00 C ATOM 318 C ASP A 21 7.721 4.776 -6.642 1.00 0.00 C ATOM 319 O ASP A 21 6.689 5.223 -7.136 1.00 0.00 O ATOM 320 CB ASP A 21 7.898 2.458 -7.562 1.00 0.00 C ATOM 321 CG ASP A 21 8.321 1.710 -8.821 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.084 0.483 -8.849 1.00 0.00 O ATOM 323 OD2 ASP A 21 8.747 2.393 -9.777 1.00 0.00 O ATOM 0 H ASP A 21 9.947 2.806 -6.196 1.00 0.00 H new ATOM 0 HA ASP A 21 8.764 4.219 -8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.127 1.851 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.818 2.606 -7.574 1.00 0.00 H new ATOM 328 N THR A 22 8.160 5.132 -5.432 1.00 0.00 N ATOM 329 CA THR A 22 7.456 6.077 -4.584 1.00 0.00 C ATOM 330 C THR A 22 6.218 5.407 -3.997 1.00 0.00 C ATOM 331 O THR A 22 5.657 4.495 -4.602 1.00 0.00 O ATOM 332 CB THR A 22 7.096 7.329 -5.392 1.00 0.00 C ATOM 333 OG1 THR A 22 8.210 7.747 -6.151 1.00 0.00 O ATOM 334 CG2 THR A 22 6.673 8.458 -4.454 1.00 0.00 C ATOM 0 H THR A 22 9.018 4.767 -5.018 1.00 0.00 H new ATOM 0 HA THR A 22 8.095 6.388 -3.758 1.00 0.00 H new ATOM 0 HB THR A 22 6.269 7.087 -6.060 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.973 8.546 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.420 9.342 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.804 8.144 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.493 8.695 -3.776 1.00 0.00 H new ATOM 342 N ILE A 23 5.794 5.856 -2.815 1.00 0.00 N ATOM 343 CA ILE A 23 4.620 5.309 -2.161 1.00 0.00 C ATOM 344 C ILE A 23 3.409 5.403 -3.085 1.00 0.00 C ATOM 345 O ILE A 23 2.501 4.578 -3.003 1.00 0.00 O ATOM 346 CB ILE A 23 4.368 6.074 -0.860 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.481 5.788 0.154 1.00 0.00 C ATOM 348 CG2 ILE A 23 3.019 5.669 -0.265 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.484 4.319 0.576 1.00 0.00 C ATOM 0 H ILE A 23 6.254 6.602 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 23 4.787 4.257 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 23 4.358 7.141 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.447 6.046 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.348 6.420 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.850 6.219 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.224 5.899 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.020 4.599 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.285 4.149 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.526 4.070 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.643 3.689 -0.299 1.00 0.00 H new ATOM 361 N GLU A 24 3.382 6.419 -3.951 1.00 0.00 N ATOM 362 CA GLU A 24 2.253 6.637 -4.836 1.00 0.00 C ATOM 363 C GLU A 24 2.010 5.420 -5.719 1.00 0.00 C ATOM 364 O GLU A 24 0.862 5.070 -5.986 1.00 0.00 O ATOM 365 CB GLU A 24 2.507 7.878 -5.689 1.00 0.00 C ATOM 366 CG GLU A 24 1.310 8.124 -6.605 1.00 0.00 C ATOM 367 CD GLU A 24 1.467 9.428 -7.373 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.091 10.472 -6.799 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.873 9.348 -8.553 1.00 0.00 O ATOM 0 H GLU A 24 4.134 7.100 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 24 1.358 6.793 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.672 8.744 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.411 7.744 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.208 7.296 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.395 8.155 -6.013 1.00 0.00 H new ATOM 376 N ASN A 25 3.085 4.763 -6.161 1.00 0.00 N ATOM 377 CA ASN A 25 2.959 3.623 -7.050 1.00 0.00 C ATOM 378 C ASN A 25 2.385 2.426 -6.305 1.00 0.00 C ATOM 379 O ASN A 25 1.700 1.599 -6.901 1.00 0.00 O ATOM 380 CB ASN A 25 4.327 3.284 -7.633 1.00 0.00 C ATOM 381 CG ASN A 25 4.224 2.194 -8.692 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.093 1.017 -8.366 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.350 2.580 -9.962 1.00 0.00 N ATOM 0 H ASN A 25 4.045 5.005 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 25 2.275 3.874 -7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.770 4.179 -8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.994 2.957 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.340 1.886 -10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.457 3.569 -10.186 1.00 0.00 H new ATOM 390 N VAL A 26 2.620 2.354 -4.992 1.00 0.00 N ATOM 391 CA VAL A 26 2.117 1.248 -4.200 1.00 0.00 C ATOM 392 C VAL A 26 0.594 1.251 -4.259 1.00 0.00 C ATOM 393 O VAL A 26 -0.035 0.197 -4.189 1.00 0.00 O ATOM 394 CB VAL A 26 2.601 1.390 -2.753 1.00 0.00 C ATOM 395 CG1 VAL A 26 2.151 0.186 -1.927 1.00 0.00 C ATOM 396 CG2 VAL A 26 4.125 1.483 -2.708 1.00 0.00 C ATOM 0 H VAL A 26 3.152 3.047 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 26 2.488 0.303 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 26 2.171 2.301 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.501 0.298 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.063 0.125 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.568 -0.725 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.453 1.583 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.558 0.580 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.454 2.352 -3.279 1.00 0.00 H new ATOM 406 N LYS A 27 0.002 2.436 -4.438 1.00 0.00 N ATOM 407 CA LYS A 27 -1.440 2.566 -4.532 1.00 0.00 C ATOM 408 C LYS A 27 -1.906 2.216 -5.939 1.00 0.00 C ATOM 409 O LYS A 27 -3.028 1.750 -6.122 1.00 0.00 O ATOM 410 CB LYS A 27 -1.847 3.999 -4.192 1.00 0.00 C ATOM 411 CG LYS A 27 -1.419 4.340 -2.765 1.00 0.00 C ATOM 412 CD LYS A 27 -1.953 5.717 -2.377 1.00 0.00 C ATOM 413 CE LYS A 27 -1.374 6.784 -3.304 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.845 8.125 -2.925 1.00 0.00 N ATOM 0 H LYS A 27 0.509 3.317 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.908 1.880 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.386 4.693 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.926 4.113 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.795 3.586 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.332 4.327 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.041 5.724 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.689 5.940 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.285 6.753 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.662 6.571 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.437 8.831 -3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.883 8.159 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.549 8.334 -1.950 1.00 0.00 H new ATOM 428 N ALA A 28 -1.045 2.441 -6.935 1.00 0.00 N ATOM 429 CA ALA A 28 -1.401 2.185 -8.317 1.00 0.00 C ATOM 430 C ALA A 28 -1.491 0.687 -8.576 1.00 0.00 C ATOM 431 O ALA A 28 -2.336 0.243 -9.350 1.00 0.00 O ATOM 432 CB ALA A 28 -0.358 2.823 -9.232 1.00 0.00 C ATOM 0 H ALA A 28 -0.099 2.800 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.378 2.622 -8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.622 2.633 -10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.328 3.898 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.622 2.394 -9.022 1.00 0.00 H new ATOM 438 N LYS A 29 -0.659 -0.100 -7.889 1.00 0.00 N ATOM 439 CA LYS A 29 -0.663 -1.539 -8.068 1.00 0.00 C ATOM 440 C LYS A 29 -1.919 -2.134 -7.442 1.00 0.00 C ATOM 441 O LYS A 29 -2.377 -3.194 -7.861 1.00 0.00 O ATOM 442 CB LYS A 29 0.580 -2.136 -7.410 1.00 0.00 C ATOM 443 CG LYS A 29 1.858 -1.603 -8.059 1.00 0.00 C ATOM 444 CD LYS A 29 2.008 -2.153 -9.477 1.00 0.00 C ATOM 445 CE LYS A 29 3.327 -1.662 -10.069 1.00 0.00 C ATOM 446 NZ LYS A 29 3.540 -2.208 -11.420 1.00 0.00 N ATOM 0 H LYS A 29 0.020 0.241 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.655 -1.772 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.582 -1.897 -6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.553 -3.222 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.832 -0.514 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.723 -1.886 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.986 -3.243 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.173 -1.826 -10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.327 -0.573 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.152 -1.957 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.444 -1.858 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.563 -3.247 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.764 -1.906 -12.043 1.00 0.00 H new ATOM 460 N ILE A 30 -2.493 -1.438 -6.457 1.00 0.00 N ATOM 461 CA ILE A 30 -3.683 -1.918 -5.783 1.00 0.00 C ATOM 462 C ILE A 30 -4.924 -1.390 -6.492 1.00 0.00 C ATOM 463 O ILE A 30 -5.993 -1.990 -6.397 1.00 0.00 O ATOM 464 CB ILE A 30 -3.653 -1.459 -4.323 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.457 -2.107 -3.620 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.936 -1.887 -3.610 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.283 -1.512 -2.224 1.00 0.00 C ATOM 0 H ILE A 30 -2.147 -0.542 -6.115 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.712 -3.007 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.569 -0.373 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.607 -3.184 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.552 -1.950 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.904 -1.555 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.796 -1.438 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.025 -2.973 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.430 -1.980 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.112 -0.439 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.183 -1.692 -1.637 1.00 0.00 H new ATOM 479 N GLN A 31 -4.779 -0.299 -7.248 1.00 0.00 N ATOM 480 CA GLN A 31 -5.895 0.252 -7.990 1.00 0.00 C ATOM 481 C GLN A 31 -6.348 -0.739 -9.054 1.00 0.00 C ATOM 482 O GLN A 31 -7.529 -0.794 -9.386 1.00 0.00 O ATOM 483 CB GLN A 31 -5.486 1.581 -8.622 1.00 0.00 C ATOM 484 CG GLN A 31 -6.676 2.173 -9.375 1.00 0.00 C ATOM 485 CD GLN A 31 -6.345 3.546 -9.943 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.181 3.865 -10.170 1.00 0.00 O ATOM 487 NE2 GLN A 31 -7.375 4.365 -10.159 1.00 0.00 N ATOM 0 H GLN A 31 -3.902 0.211 -7.357 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.730 0.433 -7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.148 2.274 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.649 1.430 -9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.967 1.503 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.531 2.252 -8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.325 4.055 -9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.213 5.302 -10.528 1.00 0.00 H new ATOM 496 N ASP A 32 -5.407 -1.512 -9.602 1.00 0.00 N ATOM 497 CA ASP A 32 -5.728 -2.498 -10.616 1.00 0.00 C ATOM 498 C ASP A 32 -6.270 -3.770 -9.969 1.00 0.00 C ATOM 499 O ASP A 32 -7.031 -4.506 -10.593 1.00 0.00 O ATOM 500 CB ASP A 32 -4.476 -2.803 -11.438 1.00 0.00 C ATOM 501 CG ASP A 32 -4.805 -3.705 -12.623 1.00 0.00 C ATOM 502 OD1 ASP A 32 -4.095 -4.721 -12.779 1.00 0.00 O ATOM 503 OD2 ASP A 32 -5.683 -3.300 -13.416 1.00 0.00 O ATOM 0 H ASP A 32 -4.418 -1.468 -9.355 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.500 -2.101 -11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.036 -1.872 -11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.730 -3.285 -10.806 1.00 0.00 H new ATOM 508 N LYS A 33 -5.866 -4.034 -8.722 1.00 0.00 N ATOM 509 CA LYS A 33 -6.264 -5.241 -8.020 1.00 0.00 C ATOM 510 C LYS A 33 -7.621 -5.057 -7.350 1.00 0.00 C ATOM 511 O LYS A 33 -8.557 -5.801 -7.635 1.00 0.00 O ATOM 512 CB LYS A 33 -5.199 -5.587 -6.976 1.00 0.00 C ATOM 513 CG LYS A 33 -5.553 -6.886 -6.249 1.00 0.00 C ATOM 514 CD LYS A 33 -5.537 -8.066 -7.219 1.00 0.00 C ATOM 515 CE LYS A 33 -5.870 -9.346 -6.457 1.00 0.00 C ATOM 516 NZ LYS A 33 -5.844 -10.515 -7.351 1.00 0.00 N ATOM 0 H LYS A 33 -5.259 -3.418 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.354 -6.057 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.228 -5.689 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.112 -4.774 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.843 -7.062 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.539 -6.797 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.261 -7.905 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.557 -8.153 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.155 -9.488 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.855 -9.255 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.074 -11.372 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.544 -10.387 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.896 -10.613 -7.767 1.00 0.00 H new ATOM 530 N GLU A 34 -7.717 -4.094 -6.431 1.00 0.00 N ATOM 531 CA GLU A 34 -8.927 -3.898 -5.656 1.00 0.00 C ATOM 532 C GLU A 34 -9.894 -2.994 -6.415 1.00 0.00 C ATOM 533 O GLU A 34 -11.089 -2.979 -6.124 1.00 0.00 O ATOM 534 CB GLU A 34 -8.553 -3.281 -4.304 1.00 0.00 C ATOM 535 CG GLU A 34 -9.705 -3.409 -3.308 1.00 0.00 C ATOM 536 CD GLU A 34 -10.073 -4.870 -3.079 1.00 0.00 C ATOM 537 OE1 GLU A 34 -11.179 -5.253 -3.519 1.00 0.00 O ATOM 538 OE2 GLU A 34 -9.289 -5.551 -2.383 1.00 0.00 O ATOM 0 H GLU A 34 -6.965 -3.441 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.422 -4.855 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.667 -3.776 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.298 -2.230 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.424 -2.949 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.574 -2.866 -3.680 1.00 0.00 H new ATOM 545 N GLY A 35 -9.387 -2.279 -7.424 1.00 0.00 N ATOM 546 CA GLY A 35 -10.220 -1.453 -8.281 1.00 0.00 C ATOM 547 C GLY A 35 -10.534 -0.105 -7.636 1.00 0.00 C ATOM 548 O GLY A 35 -11.178 0.737 -8.257 1.00 0.00 O ATOM 0 H GLY A 35 -8.395 -2.261 -7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.715 -1.292 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.150 -1.978 -8.499 1.00 0.00 H new ATOM 552 N ILE A 36 -10.105 0.094 -6.387 1.00 0.00 N ATOM 553 CA ILE A 36 -10.394 1.318 -5.659 1.00 0.00 C ATOM 554 C ILE A 36 -9.361 2.395 -5.995 1.00 0.00 C ATOM 555 O ILE A 36 -8.176 2.217 -5.720 1.00 0.00 O ATOM 556 CB ILE A 36 -10.399 1.016 -4.160 1.00 0.00 C ATOM 557 CG1 ILE A 36 -11.443 -0.067 -3.873 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.735 2.284 -3.378 1.00 0.00 C ATOM 559 CD1 ILE A 36 -11.361 -0.511 -2.416 1.00 0.00 C ATOM 0 H ILE A 36 -9.554 -0.585 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.374 1.696 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.414 0.665 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.441 0.315 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.280 -0.921 -4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.737 2.063 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.989 3.050 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.719 2.645 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.109 -1.281 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.368 -0.913 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.547 0.343 -1.764 1.00 0.00 H new ATOM 571 N PRO A 37 -9.809 3.525 -6.561 1.00 0.00 N ATOM 572 CA PRO A 37 -8.959 4.650 -6.908 1.00 0.00 C ATOM 573 C PRO A 37 -8.297 5.241 -5.666 1.00 0.00 C ATOM 574 O PRO A 37 -8.675 4.908 -4.544 1.00 0.00 O ATOM 575 CB PRO A 37 -9.875 5.690 -7.558 1.00 0.00 C ATOM 576 CG PRO A 37 -11.169 4.945 -7.885 1.00 0.00 C ATOM 577 CD PRO A 37 -11.188 3.759 -6.928 1.00 0.00 C ATOM 0 HA PRO A 37 -8.158 4.338 -7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.062 6.525 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.422 6.104 -8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.040 5.584 -7.741 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.184 4.615 -8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.795 3.976 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.620 2.879 -7.405 1.00 0.00 H new ATOM 585 N PRO A 38 -7.370 6.186 -5.863 1.00 0.00 N ATOM 586 CA PRO A 38 -6.708 6.899 -4.788 1.00 0.00 C ATOM 587 C PRO A 38 -7.730 7.603 -3.897 1.00 0.00 C ATOM 588 O PRO A 38 -8.885 7.765 -4.287 1.00 0.00 O ATOM 589 CB PRO A 38 -5.785 7.912 -5.468 1.00 0.00 C ATOM 590 CG PRO A 38 -5.598 7.374 -6.889 1.00 0.00 C ATOM 591 CD PRO A 38 -6.873 6.582 -7.161 1.00 0.00 C ATOM 0 HA PRO A 38 -6.148 6.223 -4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.228 8.908 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.831 7.992 -4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.471 8.184 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.713 6.742 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.606 7.189 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.668 5.712 -7.784 1.00 0.00 H new ATOM 599 N ASP A 39 -7.283 8.062 -2.722 1.00 0.00 N ATOM 600 CA ASP A 39 -8.108 8.774 -1.754 1.00 0.00 C ATOM 601 C ASP A 39 -9.105 7.829 -1.090 1.00 0.00 C ATOM 602 O ASP A 39 -9.244 7.833 0.132 1.00 0.00 O ATOM 603 CB ASP A 39 -8.818 9.954 -2.419 1.00 0.00 C ATOM 604 CG ASP A 39 -9.416 10.880 -1.368 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.644 10.781 -1.154 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.631 11.655 -0.778 1.00 0.00 O ATOM 0 H ASP A 39 -6.317 7.944 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.459 9.170 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.113 10.507 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.605 9.588 -3.079 1.00 0.00 H new ATOM 611 N GLN A 40 -9.770 6.990 -1.889 1.00 0.00 N ATOM 612 CA GLN A 40 -10.670 5.980 -1.365 1.00 0.00 C ATOM 613 C GLN A 40 -9.839 4.896 -0.687 1.00 0.00 C ATOM 614 O GLN A 40 -10.353 4.118 0.113 1.00 0.00 O ATOM 615 CB GLN A 40 -11.493 5.392 -2.510 1.00 0.00 C ATOM 616 CG GLN A 40 -12.466 6.442 -3.044 1.00 0.00 C ATOM 617 CD GLN A 40 -13.257 5.899 -4.227 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.972 4.907 -4.097 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.141 6.557 -5.380 1.00 0.00 N ATOM 0 H GLN A 40 -9.696 6.997 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.354 6.416 -0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.832 5.056 -3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.043 4.517 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.151 6.745 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.916 7.333 -3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.536 7.376 -5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.658 6.242 -6.201 1.00 0.00 H new ATOM 628 N GLN A 41 -8.543 4.868 -1.009 1.00 0.00 N ATOM 629 CA GLN A 41 -7.586 3.953 -0.426 1.00 0.00 C ATOM 630 C GLN A 41 -6.533 4.740 0.347 1.00 0.00 C ATOM 631 O GLN A 41 -6.316 5.919 0.072 1.00 0.00 O ATOM 632 CB GLN A 41 -6.941 3.135 -1.546 1.00 0.00 C ATOM 633 CG GLN A 41 -6.102 4.032 -2.450 1.00 0.00 C ATOM 634 CD GLN A 41 -5.360 3.200 -3.487 1.00 0.00 C ATOM 635 OE1 GLN A 41 -5.772 3.304 -4.750 1.00 0.00 O flip ATOM 636 NE2 GLN A 41 -4.412 2.493 -3.153 1.00 0.00 N flip ATOM 0 H GLN A 41 -8.132 5.498 -1.698 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.084 3.275 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.314 2.353 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.714 2.639 -2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.744 4.758 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.388 4.597 -1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.132 2.445 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.905 1.955 -3.855 1.00 0.00 H new ATOM 645 N ARG A 42 -5.843 4.076 1.278 1.00 0.00 N ATOM 646 CA ARG A 42 -4.755 4.690 2.019 1.00 0.00 C ATOM 647 C ARG A 42 -3.864 3.614 2.623 1.00 0.00 C ATOM 648 O ARG A 42 -4.346 2.565 3.043 1.00 0.00 O ATOM 649 CB ARG A 42 -5.314 5.614 3.098 1.00 0.00 C ATOM 650 CG ARG A 42 -4.881 7.044 2.781 1.00 0.00 C ATOM 651 CD ARG A 42 -5.619 8.037 3.673 1.00 0.00 C ATOM 652 NE ARG A 42 -7.034 8.127 3.311 1.00 0.00 N ATOM 653 CZ ARG A 42 -7.767 9.243 3.457 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.220 10.348 3.975 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.035 9.267 3.048 1.00 0.00 N ATOM 0 H ARG A 42 -6.026 3.105 1.533 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.149 5.290 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.401 5.545 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.947 5.316 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.806 7.145 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.083 7.267 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.527 7.731 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.156 9.020 3.587 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.488 7.298 2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.241 10.346 4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.782 11.192 4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.450 8.437 2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.591 10.115 3.159 1.00 0.00 H new ATOM 669 N LEU A 43 -2.558 3.887 2.666 1.00 0.00 N ATOM 670 CA LEU A 43 -1.566 2.942 3.140 1.00 0.00 C ATOM 671 C LEU A 43 -1.022 3.395 4.485 1.00 0.00 C ATOM 672 O LEU A 43 -1.014 4.587 4.790 1.00 0.00 O ATOM 673 CB LEU A 43 -0.431 2.874 2.120 1.00 0.00 C ATOM 674 CG LEU A 43 -0.790 1.934 0.972 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.211 2.131 -0.162 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.721 0.481 1.442 1.00 0.00 C ATOM 0 H LEU A 43 -2.164 4.780 2.369 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.019 1.958 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.227 3.871 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.481 2.529 2.607 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.801 2.156 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.038 1.463 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.171 3.164 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.216 1.906 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.979 -0.181 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.289 0.257 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.424 0.330 2.261 1.00 0.00 H new ATOM 688 N ALA A 44 -0.509 2.440 5.263 1.00 0.00 N ATOM 689 CA ALA A 44 0.123 2.721 6.534 1.00 0.00 C ATOM 690 C ALA A 44 1.146 1.633 6.829 1.00 0.00 C ATOM 691 O ALA A 44 1.127 0.573 6.204 1.00 0.00 O ATOM 692 CB ALA A 44 -0.937 2.773 7.633 1.00 0.00 C ATOM 0 H ALA A 44 -0.525 1.450 5.020 1.00 0.00 H new ATOM 0 HA ALA A 44 0.629 3.686 6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.459 2.985 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.658 3.558 7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.451 1.813 7.689 1.00 0.00 H new ATOM 698 N PHE A 45 2.021 1.885 7.803 1.00 0.00 N ATOM 699 CA PHE A 45 3.027 0.924 8.206 1.00 0.00 C ATOM 700 C PHE A 45 3.236 1.030 9.709 1.00 0.00 C ATOM 701 O PHE A 45 3.713 2.053 10.194 1.00 0.00 O ATOM 702 CB PHE A 45 4.326 1.196 7.447 1.00 0.00 C ATOM 703 CG PHE A 45 5.301 0.042 7.489 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.934 -0.302 8.690 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.565 -0.692 6.325 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.830 -1.378 8.726 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.458 -1.770 6.362 1.00 0.00 C ATOM 708 CZ PHE A 45 7.092 -2.112 7.563 1.00 0.00 C ATOM 0 H PHE A 45 2.046 2.759 8.328 1.00 0.00 H new ATOM 0 HA PHE A 45 2.702 -0.089 7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.089 1.424 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.804 2.081 7.867 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.731 0.262 9.588 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.079 -0.426 5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.319 -1.642 9.652 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.658 -2.337 5.465 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.783 -2.942 7.592 1.00 0.00 H new ATOM 718 N ALA A 46 2.866 -0.020 10.447 1.00 0.00 N ATOM 719 CA ALA A 46 2.962 -0.034 11.896 1.00 0.00 C ATOM 720 C ALA A 46 2.204 1.145 12.503 1.00 0.00 C ATOM 721 O ALA A 46 2.444 1.513 13.651 1.00 0.00 O ATOM 722 CB ALA A 46 4.432 -0.032 12.314 1.00 0.00 C ATOM 0 H ALA A 46 2.492 -0.882 10.049 1.00 0.00 H new ATOM 0 HA ALA A 46 2.498 -0.944 12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.501 -0.042 13.402 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.926 -0.916 11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.919 0.864 11.928 1.00 0.00 H new ATOM 728 N GLY A 47 1.289 1.733 11.728 1.00 0.00 N ATOM 729 CA GLY A 47 0.463 2.834 12.189 1.00 0.00 C ATOM 730 C GLY A 47 0.956 4.158 11.616 1.00 0.00 C ATOM 731 O GLY A 47 0.268 5.171 11.719 1.00 0.00 O ATOM 0 H GLY A 47 1.106 1.454 10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.572 2.667 11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.479 2.875 13.278 1.00 0.00 H new ATOM 735 N LYS A 48 2.125 4.145 10.974 1.00 0.00 N ATOM 736 CA LYS A 48 2.680 5.348 10.381 1.00 0.00 C ATOM 737 C LYS A 48 1.956 5.646 9.075 1.00 0.00 C ATOM 738 O LYS A 48 1.946 4.808 8.177 1.00 0.00 O ATOM 739 CB LYS A 48 4.166 5.133 10.099 1.00 0.00 C ATOM 740 CG LYS A 48 4.906 4.720 11.369 1.00 0.00 C ATOM 741 CD LYS A 48 6.348 4.380 11.004 1.00 0.00 C ATOM 742 CE LYS A 48 7.069 3.821 12.225 1.00 0.00 C ATOM 743 NZ LYS A 48 8.448 3.435 11.891 1.00 0.00 N ATOM 0 H LYS A 48 2.701 3.312 10.855 1.00 0.00 H new ATOM 0 HA LYS A 48 2.556 6.186 11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.288 4.365 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.601 6.050 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.881 5.528 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.419 3.859 11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.366 3.651 10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.862 5.271 10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.079 4.567 13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.528 2.956 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.692 2.554 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.529 3.288 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.101 4.189 12.185 1.00 0.00 H new ATOM 757 N GLN A 49 1.371 6.841 8.947 1.00 0.00 N ATOM 758 CA GLN A 49 0.758 7.227 7.688 1.00 0.00 C ATOM 759 C GLN A 49 1.853 7.444 6.653 1.00 0.00 C ATOM 760 O GLN A 49 2.829 8.141 6.924 1.00 0.00 O ATOM 761 CB GLN A 49 -0.071 8.500 7.858 1.00 0.00 C ATOM 762 CG GLN A 49 -0.926 8.426 9.120 1.00 0.00 C ATOM 763 CD GLN A 49 -1.931 9.569 9.161 1.00 0.00 C ATOM 764 OE1 GLN A 49 -2.472 9.962 8.130 1.00 0.00 O ATOM 765 NE2 GLN A 49 -2.134 10.146 10.345 1.00 0.00 N ATOM 0 H GLN A 49 1.313 7.540 9.688 1.00 0.00 H new ATOM 0 HA GLN A 49 0.089 6.434 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.590 9.365 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.711 8.641 6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.452 7.472 9.153 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.286 8.467 10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.663 9.786 11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.760 10.948 10.421 1.00 0.00 H new ATOM 774 N LEU A 50 1.713 6.826 5.478 1.00 0.00 N ATOM 775 CA LEU A 50 2.714 6.957 4.438 1.00 0.00 C ATOM 776 C LEU A 50 2.384 8.152 3.557 1.00 0.00 C ATOM 777 O LEU A 50 1.229 8.567 3.483 1.00 0.00 O ATOM 778 CB LEU A 50 2.773 5.672 3.614 1.00 0.00 C ATOM 779 CG LEU A 50 3.027 4.472 4.528 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.290 3.237 3.673 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.241 4.725 5.420 1.00 0.00 C ATOM 0 H LEU A 50 0.919 6.235 5.232 1.00 0.00 H new ATOM 0 HA LEU A 50 3.692 7.121 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.837 5.535 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.565 5.745 2.868 1.00 0.00 H new ATOM 0 HG LEU A 50 2.150 4.318 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.472 2.379 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.423 3.039 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.164 3.409 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.406 3.861 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.121 4.888 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.063 5.607 6.036 1.00 0.00 H new ATOM 793 N GLU A 51 3.394 8.697 2.876 1.00 0.00 N ATOM 794 CA GLU A 51 3.201 9.856 2.029 1.00 0.00 C ATOM 795 C GLU A 51 3.972 9.659 0.732 1.00 0.00 C ATOM 796 O GLU A 51 4.974 8.947 0.704 1.00 0.00 O ATOM 797 CB GLU A 51 3.683 11.096 2.783 1.00 0.00 C ATOM 798 CG GLU A 51 3.342 12.380 2.024 1.00 0.00 C ATOM 799 CD GLU A 51 3.732 13.609 2.840 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.727 14.258 2.449 1.00 0.00 O ATOM 801 OE2 GLU A 51 3.141 13.777 3.930 1.00 0.00 O ATOM 0 H GLU A 51 4.352 8.347 2.900 1.00 0.00 H new ATOM 0 HA GLU A 51 2.148 9.987 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.224 11.123 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.761 11.036 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.864 12.392 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.275 12.406 1.805 1.00 0.00 H new ATOM 808 N ASP A 52 3.492 10.272 -0.349 1.00 0.00 N ATOM 809 CA ASP A 52 4.130 10.160 -1.645 1.00 0.00 C ATOM 810 C ASP A 52 5.235 11.200 -1.784 1.00 0.00 C ATOM 811 O ASP A 52 5.277 12.175 -1.037 1.00 0.00 O ATOM 812 CB ASP A 52 3.083 10.351 -2.732 1.00 0.00 C ATOM 813 CG ASP A 52 2.441 11.725 -2.622 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.622 11.895 -1.694 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.655 12.519 -3.562 1.00 0.00 O ATOM 0 H ASP A 52 2.655 10.855 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 52 4.580 9.172 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.544 10.237 -3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.318 9.579 -2.648 1.00 0.00 H new ATOM 820 N GLY A 53 6.133 10.984 -2.747 1.00 0.00 N ATOM 821 CA GLY A 53 7.208 11.919 -3.020 1.00 0.00 C ATOM 822 C GLY A 53 8.508 11.464 -2.368 1.00 0.00 C ATOM 823 O GLY A 53 9.493 12.201 -2.385 1.00 0.00 O ATOM 0 H GLY A 53 6.130 10.162 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.350 12.011 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.938 12.908 -2.649 1.00 0.00 H new ATOM 827 N ARG A 54 8.517 10.268 -1.769 1.00 0.00 N ATOM 828 CA ARG A 54 9.702 9.777 -1.088 1.00 0.00 C ATOM 829 C ARG A 54 9.956 8.318 -1.449 1.00 0.00 C ATOM 830 O ARG A 54 9.028 7.583 -1.781 1.00 0.00 O ATOM 831 CB ARG A 54 9.515 9.950 0.424 1.00 0.00 C ATOM 832 CG ARG A 54 10.764 9.493 1.180 1.00 0.00 C ATOM 833 CD ARG A 54 10.599 9.762 2.675 1.00 0.00 C ATOM 834 NE ARG A 54 11.762 9.271 3.418 1.00 0.00 N ATOM 835 CZ ARG A 54 12.010 9.591 4.689 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.175 10.403 5.349 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.085 9.086 5.310 1.00 0.00 N ATOM 0 H ARG A 54 7.720 9.632 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 54 10.574 10.349 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.308 10.996 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.652 9.374 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.933 8.430 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.641 10.019 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.476 10.831 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.695 9.275 3.040 1.00 0.00 H new ATOM 0 HE ARG A 54 12.416 8.652 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.350 10.777 4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.364 10.648 6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.714 8.457 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.274 9.331 6.282 1.00 0.00 H new ATOM 851 N THR A 55 11.217 7.896 -1.330 1.00 0.00 N ATOM 852 CA THR A 55 11.630 6.524 -1.557 1.00 0.00 C ATOM 853 C THR A 55 10.939 5.624 -0.538 1.00 0.00 C ATOM 854 O THR A 55 11.209 5.721 0.657 1.00 0.00 O ATOM 855 CB THR A 55 13.150 6.456 -1.396 1.00 0.00 C ATOM 856 OG1 THR A 55 13.732 7.469 -2.185 1.00 0.00 O ATOM 857 CG2 THR A 55 13.688 5.106 -1.856 1.00 0.00 C ATOM 0 H THR A 55 11.986 8.513 -1.069 1.00 0.00 H new ATOM 0 HA THR A 55 11.355 6.189 -2.557 1.00 0.00 H new ATOM 0 HB THR A 55 13.398 6.590 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.707 7.438 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.771 5.084 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.238 4.313 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.441 4.955 -2.907 1.00 0.00 H new ATOM 865 N LEU A 56 10.039 4.755 -1.006 1.00 0.00 N ATOM 866 CA LEU A 56 9.255 3.912 -0.119 1.00 0.00 C ATOM 867 C LEU A 56 10.147 2.973 0.691 1.00 0.00 C ATOM 868 O LEU A 56 9.822 2.656 1.833 1.00 0.00 O ATOM 869 CB LEU A 56 8.231 3.127 -0.943 1.00 0.00 C ATOM 870 CG LEU A 56 8.915 2.181 -1.933 1.00 0.00 C ATOM 871 CD1 LEU A 56 9.079 0.789 -1.322 1.00 0.00 C ATOM 872 CD2 LEU A 56 8.041 2.058 -3.176 1.00 0.00 C ATOM 0 H LEU A 56 9.840 4.622 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 56 8.729 4.545 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.588 2.554 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.589 3.821 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 56 9.897 2.582 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.567 0.131 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.688 0.857 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.099 0.385 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.517 1.386 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.066 1.659 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.915 3.041 -3.631 1.00 0.00 H new ATOM 884 N SER A 57 11.289 2.563 0.130 1.00 0.00 N ATOM 885 CA SER A 57 12.177 1.639 0.816 1.00 0.00 C ATOM 886 C SER A 57 12.921 2.349 1.940 1.00 0.00 C ATOM 887 O SER A 57 13.386 1.705 2.879 1.00 0.00 O ATOM 888 CB SER A 57 13.166 1.051 -0.187 1.00 0.00 C ATOM 889 OG SER A 57 12.457 0.349 -1.182 1.00 0.00 O ATOM 0 H SER A 57 11.613 2.858 -0.791 1.00 0.00 H new ATOM 0 HA SER A 57 11.587 0.835 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.759 1.846 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.862 0.383 0.320 1.00 0.00 H new ATOM 0 HG SER A 57 13.086 -0.159 -1.735 1.00 0.00 H new ATOM 895 N ASP A 58 13.008 3.678 1.866 1.00 0.00 N ATOM 896 CA ASP A 58 13.646 4.456 2.910 1.00 0.00 C ATOM 897 C ASP A 58 12.606 4.882 3.937 1.00 0.00 C ATOM 898 O ASP A 58 12.952 5.323 5.031 1.00 0.00 O ATOM 899 CB ASP A 58 14.316 5.680 2.291 1.00 0.00 C ATOM 900 CG ASP A 58 15.049 6.490 3.351 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.643 7.654 3.560 1.00 0.00 O ATOM 902 OD2 ASP A 58 15.997 5.927 3.941 1.00 0.00 O ATOM 0 H ASP A 58 12.642 4.231 1.091 1.00 0.00 H new ATOM 0 HA ASP A 58 14.404 3.852 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.017 5.364 1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.566 6.304 1.805 1.00 0.00 H new ATOM 907 N TYR A 59 11.327 4.743 3.582 1.00 0.00 N ATOM 908 CA TYR A 59 10.237 5.154 4.441 1.00 0.00 C ATOM 909 C TYR A 59 10.045 4.150 5.576 1.00 0.00 C ATOM 910 O TYR A 59 10.341 4.462 6.728 1.00 0.00 O ATOM 911 CB TYR A 59 8.972 5.302 3.598 1.00 0.00 C ATOM 912 CG TYR A 59 8.074 6.431 4.045 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.534 7.308 3.095 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.794 6.612 5.407 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.713 8.367 3.501 1.00 0.00 C ATOM 916 CE2 TYR A 59 6.970 7.666 5.821 1.00 0.00 C ATOM 917 CZ TYR A 59 6.426 8.549 4.868 1.00 0.00 C ATOM 918 OH TYR A 59 5.626 9.578 5.264 1.00 0.00 O ATOM 0 H TYR A 59 11.028 4.343 2.693 1.00 0.00 H new ATOM 0 HA TYR A 59 10.466 6.116 4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.256 5.465 2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.411 4.368 3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.752 7.167 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.215 5.937 6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.300 9.043 2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.752 7.802 6.870 1.00 0.00 H new ATOM 0 HH TYR A 59 5.528 9.560 6.239 1.00 0.00 H new ATOM 928 N ASN A 60 9.531 2.956 5.259 1.00 0.00 N ATOM 929 CA ASN A 60 9.290 1.933 6.266 1.00 0.00 C ATOM 930 C ASN A 60 9.275 0.541 5.639 1.00 0.00 C ATOM 931 O ASN A 60 9.463 -0.447 6.344 1.00 0.00 O ATOM 932 CB ASN A 60 7.948 2.193 6.950 1.00 0.00 C ATOM 933 CG ASN A 60 8.079 3.236 8.050 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.733 2.996 9.062 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.408 4.376 7.877 1.00 0.00 N ATOM 0 H ASN A 60 9.276 2.681 4.311 1.00 0.00 H new ATOM 0 HA ASN A 60 10.097 1.976 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.221 2.530 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.566 1.263 7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.425 5.093 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.878 4.531 7.019 1.00 0.00 H new ATOM 942 N ILE A 61 8.979 0.452 4.338 1.00 0.00 N ATOM 943 CA ILE A 61 8.858 -0.831 3.660 1.00 0.00 C ATOM 944 C ILE A 61 10.074 -1.706 3.948 1.00 0.00 C ATOM 945 O ILE A 61 11.210 -1.236 3.911 1.00 0.00 O ATOM 946 CB ILE A 61 8.679 -0.606 2.154 1.00 0.00 C ATOM 947 CG1 ILE A 61 7.200 -0.382 1.834 1.00 0.00 C ATOM 948 CG2 ILE A 61 9.143 -1.843 1.383 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.745 0.990 2.320 1.00 0.00 C ATOM 0 H ILE A 61 8.819 1.260 3.736 1.00 0.00 H new ATOM 0 HA ILE A 61 7.979 -1.354 4.037 1.00 0.00 H new ATOM 0 HB ILE A 61 9.267 0.265 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.039 -0.464 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.599 -1.159 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.013 -1.675 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.196 -2.030 1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.552 -2.706 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.690 1.129 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.886 1.059 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.333 1.764 1.827 1.00 0.00 H new ATOM 961 N GLN A 62 9.822 -2.993 4.208 1.00 0.00 N ATOM 962 CA GLN A 62 10.869 -3.970 4.441 1.00 0.00 C ATOM 963 C GLN A 62 10.566 -5.229 3.634 1.00 0.00 C ATOM 964 O GLN A 62 9.467 -5.379 3.105 1.00 0.00 O ATOM 965 CB GLN A 62 10.945 -4.297 5.932 1.00 0.00 C ATOM 966 CG GLN A 62 11.624 -3.158 6.690 1.00 0.00 C ATOM 967 CD GLN A 62 11.775 -3.501 8.166 1.00 0.00 C ATOM 968 OE1 GLN A 62 11.313 -4.547 8.615 1.00 0.00 O ATOM 969 NE2 GLN A 62 12.449 -2.630 8.918 1.00 0.00 N ATOM 0 H GLN A 62 8.879 -3.379 4.261 1.00 0.00 H new ATOM 0 HA GLN A 62 11.831 -3.566 4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.942 -4.459 6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.500 -5.223 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.604 -2.961 6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.039 -2.245 6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.815 -1.773 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.599 -2.820 9.909 1.00 0.00 H new ATOM 978 N LYS A 63 11.543 -6.135 3.548 1.00 0.00 N ATOM 979 CA LYS A 63 11.401 -7.374 2.803 1.00 0.00 C ATOM 980 C LYS A 63 10.348 -8.273 3.447 1.00 0.00 C ATOM 981 O LYS A 63 10.415 -8.553 4.642 1.00 0.00 O ATOM 982 CB LYS A 63 12.756 -8.080 2.711 1.00 0.00 C ATOM 983 CG LYS A 63 13.327 -8.369 4.098 1.00 0.00 C ATOM 984 CD LYS A 63 14.702 -9.014 3.945 1.00 0.00 C ATOM 985 CE LYS A 63 15.272 -9.340 5.322 1.00 0.00 C ATOM 986 NZ LYS A 63 16.594 -9.975 5.206 1.00 0.00 N ATOM 0 H LYS A 63 12.453 -6.024 3.996 1.00 0.00 H new ATOM 0 HA LYS A 63 11.062 -7.146 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.645 -9.014 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.455 -7.459 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.406 -7.446 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.660 -9.031 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.624 -9.923 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.373 -8.340 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.353 -8.427 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.591 -10.004 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.962 -10.187 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.509 -10.857 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.248 -9.330 4.718 1.00 0.00 H new ATOM 1000 N GLU A 64 9.360 -8.698 2.653 1.00 0.00 N ATOM 1001 CA GLU A 64 8.311 -9.599 3.101 1.00 0.00 C ATOM 1002 C GLU A 64 7.716 -9.132 4.422 1.00 0.00 C ATOM 1003 O GLU A 64 7.482 -9.939 5.319 1.00 0.00 O ATOM 1004 CB GLU A 64 8.862 -11.022 3.216 1.00 0.00 C ATOM 1005 CG GLU A 64 9.247 -11.547 1.835 1.00 0.00 C ATOM 1006 CD GLU A 64 10.599 -11.003 1.395 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.590 -10.052 0.584 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.619 -11.569 1.844 1.00 0.00 O ATOM 0 H GLU A 64 9.271 -8.420 1.676 1.00 0.00 H new ATOM 0 HA GLU A 64 7.508 -9.595 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.732 -11.032 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.114 -11.675 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.279 -12.636 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.485 -11.263 1.110 1.00 0.00 H new ATOM 1015 N SER A 65 7.438 -7.831 4.530 1.00 0.00 N ATOM 1016 CA SER A 65 6.836 -7.289 5.730 1.00 0.00 C ATOM 1017 C SER A 65 5.337 -7.112 5.522 1.00 0.00 C ATOM 1018 O SER A 65 4.850 -7.172 4.394 1.00 0.00 O ATOM 1019 CB SER A 65 7.502 -5.960 6.073 1.00 0.00 C ATOM 1020 OG SER A 65 7.427 -5.738 7.464 1.00 0.00 O ATOM 0 H SER A 65 7.623 -7.143 3.800 1.00 0.00 H new ATOM 0 HA SER A 65 6.984 -7.978 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.544 -5.970 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.011 -5.147 5.538 1.00 0.00 H new ATOM 0 HG SER A 65 7.990 -4.973 7.704 1.00 0.00 H new ATOM 1026 N THR A 66 4.611 -6.878 6.616 1.00 0.00 N ATOM 1027 CA THR A 66 3.171 -6.718 6.574 1.00 0.00 C ATOM 1028 C THR A 66 2.817 -5.240 6.645 1.00 0.00 C ATOM 1029 O THR A 66 3.197 -4.556 7.593 1.00 0.00 O ATOM 1030 CB THR A 66 2.554 -7.473 7.749 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.990 -8.815 7.729 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.032 -7.429 7.661 1.00 0.00 C ATOM 0 H THR A 66 5.011 -6.796 7.551 1.00 0.00 H new ATOM 0 HA THR A 66 2.777 -7.122 5.641 1.00 0.00 H new ATOM 0 HB THR A 66 2.869 -7.000 8.679 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.595 -9.299 8.484 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.603 -7.971 8.504 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.696 -6.392 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.708 -7.892 6.729 1.00 0.00 H new ATOM 1040 N LEU A 67 2.085 -4.748 5.644 1.00 0.00 N ATOM 1041 CA LEU A 67 1.642 -3.368 5.633 1.00 0.00 C ATOM 1042 C LEU A 67 0.207 -3.311 6.132 1.00 0.00 C ATOM 1043 O LEU A 67 -0.427 -4.346 6.328 1.00 0.00 O ATOM 1044 CB LEU A 67 1.738 -2.805 4.216 1.00 0.00 C ATOM 1045 CG LEU A 67 3.152 -2.287 3.949 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.122 -3.452 3.762 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.138 -1.443 2.678 1.00 0.00 C ATOM 0 H LEU A 67 1.790 -5.292 4.833 1.00 0.00 H new ATOM 0 HA LEU A 67 2.276 -2.767 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.483 -3.578 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.017 -1.998 4.088 1.00 0.00 H new ATOM 0 HG LEU A 67 3.478 -1.689 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.123 -3.065 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.134 -4.064 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.802 -4.060 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.142 -1.069 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.805 -2.054 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.456 -0.602 2.807 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.321 -2.098 6.294 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.680 -1.911 6.756 1.00 0.00 C ATOM 1061 C HIS A 68 -2.397 -0.979 5.788 1.00 0.00 C ATOM 1062 O HIS A 68 -1.843 0.040 5.382 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.665 -1.359 8.180 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.022 -1.384 8.829 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.125 -0.694 8.416 1.00 0.00 N flip ATOM 1066 CD2 HIS A 68 -3.379 -2.146 9.913 1.00 0.00 C flip ATOM 1067 CE1 HIS A 68 -5.186 -1.038 9.261 1.00 0.00 C flip ATOM 1068 NE2 HIS A 68 -4.684 -1.919 10.149 1.00 0.00 N flip ATOM 0 H HIS A 68 0.182 -1.230 6.109 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.217 -2.859 6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.968 -1.941 8.783 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.294 -0.334 8.164 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.732 -2.806 10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.201 -0.672 9.212 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.221 -2.355 10.899 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.597 -1.370 5.359 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.318 -0.653 4.325 1.00 0.00 C ATOM 1078 C LEU A 69 -5.672 -0.190 4.855 1.00 0.00 C ATOM 1079 O LEU A 69 -6.249 -0.833 5.730 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.486 -1.594 3.132 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.000 -0.843 1.910 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -3.873 -0.022 1.287 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.514 -1.847 0.883 1.00 0.00 C ATOM 0 H LEU A 69 -4.088 -2.188 5.720 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.767 0.236 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.531 -2.065 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.180 -2.393 3.390 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.805 -0.174 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.251 0.511 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.499 0.696 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.063 -0.686 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.883 -1.314 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.703 -2.513 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.324 -2.432 1.320 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.170 0.937 4.334 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.456 1.486 4.727 1.00 0.00 C ATOM 1097 C ALA A 70 -8.309 1.742 3.490 1.00 0.00 C ATOM 1098 O ALA A 70 -7.791 2.172 2.462 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.240 2.775 5.519 1.00 0.00 C ATOM 0 H ALA A 70 -5.685 1.489 3.627 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.982 0.773 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.205 3.187 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.650 2.560 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.711 3.499 4.899 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.617 1.490 3.589 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.515 1.633 2.456 1.00 0.00 C ATOM 1107 C LEU A 71 -11.661 2.564 2.830 1.00 0.00 C ATOM 1108 O LEU A 71 -11.827 2.922 3.995 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.103 0.263 2.066 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.103 -0.780 1.535 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.130 -0.182 0.520 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.317 -1.409 2.688 1.00 0.00 C ATOM 0 H LEU A 71 -10.073 1.185 4.449 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.954 2.042 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.604 -0.156 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.868 0.422 1.306 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.688 -1.548 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.444 -0.955 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.688 0.215 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.563 0.622 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.616 -2.143 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.768 -0.632 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.007 -1.900 3.374 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.483 2.910 1.837 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.679 3.705 2.040 1.00 0.00 C ATOM 1126 C ARG A 72 -14.784 2.839 2.633 1.00 0.00 C ATOM 1127 O ARG A 72 -14.671 1.615 2.657 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.133 4.276 0.698 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.366 3.136 -0.296 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.075 3.669 -1.536 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.468 4.006 -1.239 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.287 4.599 -2.117 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.831 4.958 -3.324 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.565 4.826 -1.790 1.00 0.00 N ATOM 0 H ARG A 72 -12.329 2.641 0.865 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.462 4.520 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.050 4.851 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.379 4.961 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.414 2.685 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.965 2.353 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.554 4.552 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.039 2.922 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.834 3.777 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.859 4.780 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.456 5.410 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.914 4.547 -0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.190 5.278 -2.458 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.876 3.472 3.068 1.00 0.00 N ATOM 1149 CA LEU A 73 -17.053 2.745 3.506 1.00 0.00 C ATOM 1150 C LEU A 73 -17.890 2.401 2.277 1.00 0.00 C ATOM 1151 O LEU A 73 -17.626 2.913 1.190 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.855 3.609 4.477 1.00 0.00 C ATOM 1153 CG LEU A 73 -17.024 3.941 5.719 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.844 4.830 6.650 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.629 2.664 6.459 1.00 0.00 C ATOM 0 H LEU A 73 -15.962 4.487 3.123 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.767 1.827 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.163 4.530 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.765 3.086 4.771 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.118 4.460 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.256 5.069 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.111 5.751 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.752 4.305 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.039 2.921 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.527 2.130 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.038 2.029 5.799 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.905 1.546 2.439 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.766 1.190 1.324 1.00 0.00 C ATOM 1169 C ARG A 74 -20.529 2.424 0.851 1.00 0.00 C ATOM 1170 O ARG A 74 -20.724 2.608 -0.348 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.723 0.069 1.732 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.424 -0.466 0.482 1.00 0.00 C ATOM 1173 CD ARG A 74 -22.216 -1.732 0.808 1.00 0.00 C ATOM 1174 NE ARG A 74 -23.390 -1.431 1.628 1.00 0.00 N ATOM 1175 CZ ARG A 74 -24.368 -2.315 1.868 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -24.281 -3.561 1.385 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -25.434 -1.950 2.590 1.00 0.00 N ATOM 0 H ARG A 74 -19.143 1.096 3.323 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.157 0.824 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.175 -0.732 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -21.458 0.442 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.094 0.295 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.686 -0.681 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -22.531 -2.215 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.574 -2.439 1.334 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.468 -0.500 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.469 -3.839 0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -25.027 -4.232 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -25.501 -1.000 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -26.180 -2.621 2.774 1.00 0.00 H new ATOM 1191 N GLY A 75 -20.904 3.298 1.790 1.00 0.00 N ATOM 1192 CA GLY A 75 -21.591 4.537 1.472 1.00 0.00 C ATOM 1193 C GLY A 75 -23.101 4.330 1.445 1.00 0.00 C ATOM 1194 O GLY A 75 -23.854 5.277 1.227 1.00 0.00 O ATOM 0 H GLY A 75 -20.737 3.160 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.337 5.298 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.253 4.907 0.504 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.543 3.094 1.685 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.952 2.757 1.689 1.00 0.00 C ATOM 1200 C GLY A 76 -25.112 1.253 1.791 1.00 0.00 C ATOM 1201 O GLY A 76 -24.708 0.711 2.843 1.00 0.00 O ATOM 0 H GLY A 76 -22.928 2.305 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -25.451 3.244 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.427 3.123 0.779 1.00 0.00 H new TER 1205 GLY A 76