USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 6 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0445) USER MOD Set 1.2: A 66 THR OG1 : rot 90:sc= 1.4 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.149 (180deg=-0.133) USER MOD Single : A 2 GLN : amide:sc=-0.00606 K(o=-0.0061,f=-2.2!) USER MOD Single : A 7 THR OG1 : rot 62:sc= 0.629 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 25:sc= 0.357 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0104) USER MOD Single : A 31 GLN :FLIP amide:sc=-0.00432 F(o=-1.3,f=-0.0043) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -22:sc= -0.245 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 1 2.428 3.236 -1.748 1.00 0.10 N ATOM 9 CA MET A 1 2.170 4.179 -2.831 1.00 22.44 C ATOM 10 C MET A 1 3.360 4.252 -3.782 1.00 2.40 C ATOM 11 O MET A 1 3.743 5.334 -4.227 1.00 63.11 O ATOM 12 CB MET A 1 1.868 5.567 -2.265 1.00 15.50 C ATOM 13 CG MET A 1 0.643 5.604 -1.365 1.00 71.42 C ATOM 14 SD MET A 1 1.067 5.562 0.387 1.00 53.12 S ATOM 15 CE MET A 1 -0.286 4.586 1.039 1.00 22.13 C ATOM 0 H1 MET A 1 1.901 2.356 -1.921 1.00 0.10 H new ATOM 0 H2 MET A 1 3.446 3.027 -1.704 1.00 0.10 H new ATOM 0 H3 MET A 1 2.121 3.651 -0.845 1.00 0.10 H new ATOM 0 HA MET A 1 1.303 3.826 -3.389 1.00 22.44 H new ATOM 0 HB2 MET A 1 2.733 5.917 -1.702 1.00 15.50 H new ATOM 0 HB3 MET A 1 1.723 6.263 -3.091 1.00 15.50 H new ATOM 0 HG2 MET A 1 0.070 6.507 -1.575 1.00 71.42 H new ATOM 0 HG3 MET A 1 -0.001 4.756 -1.599 1.00 71.42 H new ATOM 0 HE1 MET A 1 -0.166 4.471 2.116 1.00 22.13 H new ATOM 0 HE2 MET A 1 -1.231 5.089 0.831 1.00 22.13 H new ATOM 0 HE3 MET A 1 -0.286 3.603 0.567 1.00 22.13 H new ATOM 25 N GLN A 2 3.940 3.096 -4.088 1.00 51.34 N ATOM 26 CA GLN A 2 5.087 3.032 -4.986 1.00 61.22 C ATOM 27 C GLN A 2 4.639 3.038 -6.444 1.00 14.41 C ATOM 28 O GLN A 2 3.614 2.450 -6.791 1.00 12.35 O ATOM 29 CB GLN A 2 5.915 1.778 -4.701 1.00 20.34 C ATOM 30 CG GLN A 2 7.015 1.996 -3.674 1.00 70.41 C ATOM 31 CD GLN A 2 8.383 1.595 -4.190 1.00 72.35 C ATOM 32 OE1 GLN A 2 9.262 2.438 -4.373 1.00 74.52 O ATOM 33 NE2 GLN A 2 8.570 0.302 -4.429 1.00 23.23 N ATOM 0 H GLN A 2 3.635 2.192 -3.728 1.00 51.34 H new ATOM 0 HA GLN A 2 5.703 3.914 -4.810 1.00 61.22 H new ATOM 0 HB2 GLN A 2 5.252 0.987 -4.349 1.00 20.34 H new ATOM 0 HB3 GLN A 2 6.362 1.429 -5.632 1.00 20.34 H new ATOM 0 HG2 GLN A 2 7.034 3.047 -3.385 1.00 70.41 H new ATOM 0 HG3 GLN A 2 6.787 1.422 -2.776 1.00 70.41 H new ATOM 0 HE21 GLN A 2 7.814 -0.362 -4.263 1.00 23.23 H new ATOM 0 HE22 GLN A 2 9.470 -0.027 -4.778 1.00 23.23 H new ATOM 42 N ILE A 3 5.412 3.707 -7.293 1.00 20.04 N ATOM 43 CA ILE A 3 5.094 3.789 -8.713 1.00 10.33 C ATOM 44 C ILE A 3 6.232 3.235 -9.564 1.00 14.32 C ATOM 45 O ILE A 3 7.362 3.099 -9.096 1.00 2.33 O ATOM 46 CB ILE A 3 4.806 5.240 -9.142 1.00 2.10 C ATOM 47 CG1 ILE A 3 5.944 6.162 -8.698 1.00 30.41 C ATOM 48 CG2 ILE A 3 3.480 5.710 -8.564 1.00 10.43 C ATOM 49 CD1 ILE A 3 6.094 7.395 -9.560 1.00 52.41 C ATOM 0 H ILE A 3 6.263 4.200 -7.022 1.00 20.04 H new ATOM 0 HA ILE A 3 4.199 3.187 -8.872 1.00 10.33 H new ATOM 0 HB ILE A 3 4.739 5.275 -10.229 1.00 2.10 H new ATOM 0 HG12 ILE A 3 5.771 6.469 -7.666 1.00 30.41 H new ATOM 0 HG13 ILE A 3 6.880 5.603 -8.712 1.00 30.41 H new ATOM 0 HG21 ILE A 3 3.291 6.737 -8.876 1.00 10.43 H new ATOM 0 HG22 ILE A 3 2.677 5.067 -8.925 1.00 10.43 H new ATOM 0 HG23 ILE A 3 3.520 5.663 -7.476 1.00 10.43 H new ATOM 0 HD11 ILE A 3 6.919 8.002 -9.187 1.00 52.41 H new ATOM 0 HD12 ILE A 3 6.299 7.097 -10.588 1.00 52.41 H new ATOM 0 HD13 ILE A 3 5.172 7.976 -9.527 1.00 52.41 H new ATOM 61 N PHE A 4 5.925 2.918 -10.817 1.00 41.44 N ATOM 62 CA PHE A 4 6.922 2.380 -11.735 1.00 60.14 C ATOM 63 C PHE A 4 6.866 3.098 -13.081 1.00 24.32 C ATOM 64 O PHE A 4 5.806 3.202 -13.698 1.00 44.31 O ATOM 65 CB PHE A 4 6.703 0.879 -11.936 1.00 25.10 C ATOM 66 CG PHE A 4 6.642 0.470 -13.380 1.00 34.21 C ATOM 67 CD1 PHE A 4 7.798 0.374 -14.137 1.00 23.35 C ATOM 68 CD2 PHE A 4 5.427 0.181 -13.980 1.00 72.23 C ATOM 69 CE1 PHE A 4 7.744 -0.002 -15.466 1.00 11.35 C ATOM 70 CE2 PHE A 4 5.366 -0.196 -15.309 1.00 2.41 C ATOM 71 CZ PHE A 4 6.527 -0.288 -16.052 1.00 54.11 C ATOM 0 H PHE A 4 4.994 3.024 -11.220 1.00 41.44 H new ATOM 0 HA PHE A 4 7.907 2.542 -11.297 1.00 60.14 H new ATOM 0 HB2 PHE A 4 7.509 0.333 -11.446 1.00 25.10 H new ATOM 0 HB3 PHE A 4 5.775 0.586 -11.444 1.00 25.10 H new ATOM 0 HD1 PHE A 4 8.753 0.596 -13.683 1.00 23.35 H new ATOM 0 HD2 PHE A 4 4.517 0.251 -13.403 1.00 72.23 H new ATOM 0 HE1 PHE A 4 8.653 -0.072 -16.045 1.00 11.35 H new ATOM 0 HE2 PHE A 4 4.413 -0.418 -15.765 1.00 2.41 H new ATOM 0 HZ PHE A 4 6.483 -0.583 -17.090 1.00 54.11 H new ATOM 81 N VAL A 5 8.016 3.591 -13.529 1.00 42.54 N ATOM 82 CA VAL A 5 8.100 4.299 -14.801 1.00 52.33 C ATOM 83 C VAL A 5 8.747 3.429 -15.873 1.00 12.10 C ATOM 84 O VAL A 5 9.770 2.788 -15.634 1.00 21.33 O ATOM 85 CB VAL A 5 8.902 5.607 -14.664 1.00 51.01 C ATOM 86 CG1 VAL A 5 8.943 6.350 -15.991 1.00 13.33 C ATOM 87 CG2 VAL A 5 8.309 6.483 -13.571 1.00 20.02 C ATOM 0 H VAL A 5 8.902 3.513 -13.030 1.00 42.54 H new ATOM 0 HA VAL A 5 7.079 4.537 -15.098 1.00 52.33 H new ATOM 0 HB VAL A 5 9.925 5.358 -14.383 1.00 51.01 H new ATOM 0 HG11 VAL A 5 9.514 7.271 -15.875 1.00 13.33 H new ATOM 0 HG12 VAL A 5 9.417 5.722 -16.745 1.00 13.33 H new ATOM 0 HG13 VAL A 5 7.927 6.590 -16.305 1.00 13.33 H new ATOM 0 HG21 VAL A 5 8.888 7.403 -13.488 1.00 20.02 H new ATOM 0 HG22 VAL A 5 7.276 6.726 -13.820 1.00 20.02 H new ATOM 0 HG23 VAL A 5 8.338 5.949 -12.621 1.00 20.02 H new ATOM 97 N LYS A 6 8.144 3.412 -17.057 1.00 33.22 N ATOM 98 CA LYS A 6 8.661 2.622 -18.168 1.00 51.10 C ATOM 99 C LYS A 6 9.326 3.517 -19.209 1.00 0.44 C ATOM 100 O LYS A 6 8.877 4.636 -19.459 1.00 12.52 O ATOM 101 CB LYS A 6 7.533 1.818 -18.818 1.00 14.11 C ATOM 102 CG LYS A 6 7.944 1.122 -20.104 1.00 2.23 C ATOM 103 CD LYS A 6 6.864 0.172 -20.594 1.00 42.41 C ATOM 104 CE LYS A 6 5.665 0.929 -21.145 1.00 20.41 C ATOM 105 NZ LYS A 6 4.552 0.998 -20.158 1.00 1.30 N ATOM 0 H LYS A 6 7.296 3.937 -17.272 1.00 33.22 H new ATOM 0 HA LYS A 6 9.409 1.934 -17.774 1.00 51.10 H new ATOM 0 HB2 LYS A 6 7.175 1.071 -18.109 1.00 14.11 H new ATOM 0 HB3 LYS A 6 6.697 2.485 -19.027 1.00 14.11 H new ATOM 0 HG2 LYS A 6 8.150 1.867 -20.872 1.00 2.23 H new ATOM 0 HG3 LYS A 6 8.869 0.569 -19.940 1.00 2.23 H new ATOM 0 HD2 LYS A 6 7.273 -0.477 -21.368 1.00 42.41 H new ATOM 0 HD3 LYS A 6 6.544 -0.471 -19.774 1.00 42.41 H new ATOM 0 HE2 LYS A 6 5.969 1.939 -21.421 1.00 20.41 H new ATOM 0 HE3 LYS A 6 5.314 0.441 -22.055 1.00 20.41 H new ATOM 0 HZ1 LYS A 6 3.867 1.721 -20.457 1.00 1.30 H new ATOM 0 HZ2 LYS A 6 4.078 0.074 -20.104 1.00 1.30 H new ATOM 0 HZ3 LYS A 6 4.932 1.248 -19.223 1.00 1.30 H new ATOM 119 N THR A 7 10.399 3.018 -19.814 1.00 72.51 N ATOM 120 CA THR A 7 11.125 3.772 -20.828 1.00 23.33 C ATOM 121 C THR A 7 10.849 3.224 -22.223 1.00 43.34 C ATOM 122 O THR A 7 9.949 2.406 -22.414 1.00 32.34 O ATOM 123 CB THR A 7 12.643 3.743 -20.568 1.00 44.55 C ATOM 124 OG1 THR A 7 12.906 3.246 -19.252 1.00 24.41 O ATOM 125 CG2 THR A 7 13.244 5.133 -20.720 1.00 63.32 C ATOM 0 H THR A 7 10.785 2.094 -19.619 1.00 72.51 H new ATOM 0 HA THR A 7 10.773 4.802 -20.770 1.00 23.33 H new ATOM 0 HB THR A 7 13.103 3.082 -21.303 1.00 44.55 H new ATOM 0 HG1 THR A 7 12.576 2.326 -19.178 1.00 24.41 H new ATOM 0 HG21 THR A 7 14.317 5.088 -20.532 1.00 63.32 H new ATOM 0 HG22 THR A 7 13.068 5.497 -21.732 1.00 63.32 H new ATOM 0 HG23 THR A 7 12.778 5.811 -20.005 1.00 63.32 H new ATOM 133 N LEU A 8 11.629 3.680 -23.197 1.00 43.03 N ATOM 134 CA LEU A 8 11.469 3.235 -24.577 1.00 63.13 C ATOM 135 C LEU A 8 12.350 2.023 -24.864 1.00 73.30 C ATOM 136 O LEU A 8 12.081 1.250 -25.784 1.00 62.25 O ATOM 137 CB LEU A 8 11.814 4.370 -25.543 1.00 61.23 C ATOM 138 CG LEU A 8 11.585 4.081 -27.027 1.00 64.23 C ATOM 139 CD1 LEU A 8 12.771 3.330 -27.614 1.00 0.41 C ATOM 140 CD2 LEU A 8 10.301 3.290 -27.225 1.00 35.22 C ATOM 0 H LEU A 8 12.378 4.358 -23.057 1.00 43.03 H new ATOM 0 HA LEU A 8 10.428 2.947 -24.721 1.00 63.13 H new ATOM 0 HB2 LEU A 8 11.225 5.245 -25.269 1.00 61.23 H new ATOM 0 HB3 LEU A 8 12.862 4.634 -25.402 1.00 61.23 H new ATOM 0 HG LEU A 8 11.487 5.032 -27.551 1.00 64.23 H new ATOM 0 HD11 LEU A 8 12.590 3.133 -28.671 1.00 0.41 H new ATOM 0 HD12 LEU A 8 13.673 3.933 -27.506 1.00 0.41 H new ATOM 0 HD13 LEU A 8 12.901 2.385 -27.086 1.00 0.41 H new ATOM 0 HD21 LEU A 8 10.155 3.094 -28.287 1.00 35.22 H new ATOM 0 HD22 LEU A 8 10.370 2.344 -26.687 1.00 35.22 H new ATOM 0 HD23 LEU A 8 9.457 3.864 -26.843 1.00 35.22 H new ATOM 152 N THR A 9 13.402 1.860 -24.068 1.00 42.51 N ATOM 153 CA THR A 9 14.322 0.742 -24.235 1.00 53.23 C ATOM 154 C THR A 9 13.804 -0.506 -23.529 1.00 2.52 C ATOM 155 O THR A 9 14.488 -1.527 -23.471 1.00 52.31 O ATOM 156 CB THR A 9 15.723 1.081 -23.693 1.00 41.32 C ATOM 157 OG1 THR A 9 15.629 1.526 -22.335 1.00 73.42 O ATOM 158 CG2 THR A 9 16.385 2.158 -24.540 1.00 12.24 C ATOM 0 H THR A 9 13.638 2.489 -23.300 1.00 42.51 H new ATOM 0 HA THR A 9 14.393 0.548 -25.305 1.00 53.23 H new ATOM 0 HB THR A 9 16.333 0.179 -23.738 1.00 41.32 H new ATOM 0 HG1 THR A 9 16.524 1.738 -21.997 1.00 73.42 H new ATOM 0 HG21 THR A 9 17.373 2.381 -24.138 1.00 12.24 H new ATOM 0 HG22 THR A 9 16.482 1.805 -25.567 1.00 12.24 H new ATOM 0 HG23 THR A 9 15.774 3.061 -24.523 1.00 12.24 H new ATOM 166 N GLY A 10 12.591 -0.416 -22.992 1.00 72.13 N ATOM 167 CA GLY A 10 12.002 -1.546 -22.297 1.00 1.41 C ATOM 168 C GLY A 10 12.522 -1.690 -20.880 1.00 41.44 C ATOM 169 O GLY A 10 12.435 -2.764 -20.285 1.00 2.41 O ATOM 0 H GLY A 10 12.006 0.419 -23.026 1.00 72.13 H new ATOM 0 HA2 GLY A 10 10.919 -1.429 -22.273 1.00 1.41 H new ATOM 0 HA3 GLY A 10 12.212 -2.460 -22.853 1.00 1.41 H new ATOM 173 N LYS A 11 13.066 -0.605 -20.339 1.00 23.23 N ATOM 174 CA LYS A 11 13.604 -0.614 -18.983 1.00 55.02 C ATOM 175 C LYS A 11 12.544 -0.181 -17.975 1.00 51.21 C ATOM 176 O LYS A 11 12.007 0.925 -18.058 1.00 62.54 O ATOM 177 CB LYS A 11 14.820 0.310 -18.889 1.00 22.42 C ATOM 178 CG LYS A 11 16.033 -0.346 -18.252 1.00 3.22 C ATOM 179 CD LYS A 11 16.013 -0.206 -16.739 1.00 34.11 C ATOM 180 CE LYS A 11 16.326 -1.527 -16.053 1.00 2.22 C ATOM 181 NZ LYS A 11 17.195 -1.339 -14.858 1.00 14.42 N ATOM 0 H LYS A 11 13.146 0.292 -20.818 1.00 23.23 H new ATOM 0 HA LYS A 11 13.911 -1.633 -18.747 1.00 55.02 H new ATOM 0 HB2 LYS A 11 15.085 0.651 -19.890 1.00 22.42 H new ATOM 0 HB3 LYS A 11 14.550 1.194 -18.312 1.00 22.42 H new ATOM 0 HG2 LYS A 11 16.059 -1.402 -18.520 1.00 3.22 H new ATOM 0 HG3 LYS A 11 16.942 0.106 -18.648 1.00 3.22 H new ATOM 0 HD2 LYS A 11 16.740 0.546 -16.432 1.00 34.11 H new ATOM 0 HD3 LYS A 11 15.034 0.149 -16.418 1.00 34.11 H new ATOM 0 HE2 LYS A 11 15.396 -2.010 -15.753 1.00 2.22 H new ATOM 0 HE3 LYS A 11 16.819 -2.195 -16.759 1.00 2.22 H new ATOM 0 HZ1 LYS A 11 17.385 -2.262 -14.419 1.00 14.42 H new ATOM 0 HZ2 LYS A 11 18.093 -0.901 -15.147 1.00 14.42 H new ATOM 0 HZ3 LYS A 11 16.714 -0.722 -14.173 1.00 14.42 H new ATOM 195 N THR A 12 12.247 -1.058 -17.021 1.00 61.12 N ATOM 196 CA THR A 12 11.252 -0.766 -15.997 1.00 62.20 C ATOM 197 C THR A 12 11.915 -0.327 -14.696 1.00 53.34 C ATOM 198 O THR A 12 12.744 -1.045 -14.138 1.00 31.43 O ATOM 199 CB THR A 12 10.359 -1.989 -15.717 1.00 73.20 C ATOM 200 OG1 THR A 12 11.158 -3.086 -15.260 1.00 2.44 O ATOM 201 CG2 THR A 12 9.595 -2.399 -16.967 1.00 51.12 C ATOM 0 H THR A 12 12.682 -1.977 -16.936 1.00 61.12 H new ATOM 0 HA THR A 12 10.634 0.046 -16.379 1.00 62.20 H new ATOM 0 HB THR A 12 9.641 -1.716 -14.944 1.00 73.20 H new ATOM 0 HG1 THR A 12 11.980 -2.744 -14.851 1.00 2.44 H new ATOM 0 HG21 THR A 12 8.971 -3.265 -16.745 1.00 51.12 H new ATOM 0 HG22 THR A 12 8.965 -1.573 -17.296 1.00 51.12 H new ATOM 0 HG23 THR A 12 10.301 -2.654 -17.758 1.00 51.12 H new ATOM 209 N ILE A 13 11.544 0.857 -14.219 1.00 74.52 N ATOM 210 CA ILE A 13 12.101 1.390 -12.983 1.00 5.22 C ATOM 211 C ILE A 13 11.006 1.663 -11.958 1.00 53.52 C ATOM 212 O ILE A 13 9.893 2.055 -12.312 1.00 34.35 O ATOM 213 CB ILE A 13 12.888 2.690 -13.235 1.00 64.22 C ATOM 214 CG1 ILE A 13 14.021 2.440 -14.233 1.00 41.32 C ATOM 215 CG2 ILE A 13 13.439 3.238 -11.927 1.00 51.12 C ATOM 216 CD1 ILE A 13 14.515 3.698 -14.914 1.00 32.24 C ATOM 0 H ILE A 13 10.860 1.465 -14.670 1.00 74.52 H new ATOM 0 HA ILE A 13 12.780 0.633 -12.592 1.00 5.22 H new ATOM 0 HB ILE A 13 12.211 3.431 -13.660 1.00 64.22 H new ATOM 0 HG12 ILE A 13 14.854 1.967 -13.713 1.00 41.32 H new ATOM 0 HG13 ILE A 13 13.678 1.737 -14.992 1.00 41.32 H new ATOM 0 HG21 ILE A 13 13.993 4.157 -12.122 1.00 51.12 H new ATOM 0 HG22 ILE A 13 12.615 3.448 -11.245 1.00 51.12 H new ATOM 0 HG23 ILE A 13 14.105 2.502 -11.476 1.00 51.12 H new ATOM 0 HD11 ILE A 13 15.317 3.445 -15.607 1.00 32.24 H new ATOM 0 HD12 ILE A 13 13.695 4.161 -15.462 1.00 32.24 H new ATOM 0 HD13 ILE A 13 14.889 4.395 -14.164 1.00 32.24 H new ATOM 228 N THR A 14 11.328 1.457 -10.685 1.00 63.42 N ATOM 229 CA THR A 14 10.372 1.681 -9.608 1.00 63.12 C ATOM 230 C THR A 14 10.858 2.772 -8.661 1.00 33.24 C ATOM 231 O THR A 14 12.049 2.865 -8.363 1.00 43.11 O ATOM 232 CB THR A 14 10.120 0.392 -8.803 1.00 44.12 C ATOM 233 OG1 THR A 14 11.368 -0.193 -8.413 1.00 35.41 O ATOM 234 CG2 THR A 14 9.318 -0.609 -9.621 1.00 44.11 C ATOM 0 H THR A 14 12.245 1.135 -10.374 1.00 63.42 H new ATOM 0 HA THR A 14 9.439 1.997 -10.074 1.00 63.12 H new ATOM 0 HB THR A 14 9.547 0.651 -7.913 1.00 44.12 H new ATOM 0 HG1 THR A 14 11.200 -1.011 -7.900 1.00 35.41 H new ATOM 0 HG21 THR A 14 9.153 -1.511 -9.032 1.00 44.11 H new ATOM 0 HG22 THR A 14 8.357 -0.171 -9.892 1.00 44.11 H new ATOM 0 HG23 THR A 14 9.869 -0.863 -10.527 1.00 44.11 H new ATOM 242 N LEU A 15 9.928 3.595 -8.188 1.00 43.14 N ATOM 243 CA LEU A 15 10.262 4.681 -7.273 1.00 34.34 C ATOM 244 C LEU A 15 9.156 4.881 -6.241 1.00 5.34 C ATOM 245 O LEU A 15 8.106 4.244 -6.311 1.00 41.30 O ATOM 246 CB LEU A 15 10.491 5.978 -8.050 1.00 74.02 C ATOM 247 CG LEU A 15 11.819 6.086 -8.799 1.00 62.13 C ATOM 248 CD1 LEU A 15 11.769 7.216 -9.815 1.00 51.43 C ATOM 249 CD2 LEU A 15 12.967 6.295 -7.822 1.00 51.22 C ATOM 0 H LEU A 15 8.937 3.531 -8.423 1.00 43.14 H new ATOM 0 HA LEU A 15 11.180 4.413 -6.749 1.00 34.34 H new ATOM 0 HB2 LEU A 15 9.681 6.095 -8.769 1.00 74.02 H new ATOM 0 HB3 LEU A 15 10.421 6.813 -7.353 1.00 74.02 H new ATOM 0 HG LEU A 15 11.989 5.152 -9.334 1.00 62.13 H new ATOM 0 HD11 LEU A 15 12.723 7.277 -10.338 1.00 51.43 H new ATOM 0 HD12 LEU A 15 10.973 7.024 -10.534 1.00 51.43 H new ATOM 0 HD13 LEU A 15 11.575 8.158 -9.302 1.00 51.43 H new ATOM 0 HD21 LEU A 15 13.905 6.370 -8.373 1.00 51.22 H new ATOM 0 HD22 LEU A 15 12.803 7.214 -7.259 1.00 51.22 H new ATOM 0 HD23 LEU A 15 13.017 5.451 -7.133 1.00 51.22 H new ATOM 261 N GLU A 16 9.401 5.772 -5.285 1.00 0.23 N ATOM 262 CA GLU A 16 8.425 6.057 -4.239 1.00 42.23 C ATOM 263 C GLU A 16 8.096 7.547 -4.194 1.00 21.43 C ATOM 264 O GLU A 16 8.988 8.393 -4.258 1.00 54.13 O ATOM 265 CB GLU A 16 8.954 5.599 -2.879 1.00 33.54 C ATOM 266 CG GLU A 16 10.307 6.189 -2.521 1.00 3.11 C ATOM 267 CD GLU A 16 10.262 7.031 -1.261 1.00 13.42 C ATOM 268 OE1 GLU A 16 9.769 6.530 -0.229 1.00 11.11 O ATOM 269 OE2 GLU A 16 10.720 8.192 -1.307 1.00 55.53 O ATOM 0 H GLU A 16 10.266 6.308 -5.213 1.00 0.23 H new ATOM 0 HA GLU A 16 7.512 5.508 -4.469 1.00 42.23 H new ATOM 0 HB2 GLU A 16 8.233 5.871 -2.108 1.00 33.54 H new ATOM 0 HB3 GLU A 16 9.029 4.512 -2.876 1.00 33.54 H new ATOM 0 HG2 GLU A 16 11.027 5.382 -2.388 1.00 3.11 H new ATOM 0 HG3 GLU A 16 10.663 6.801 -3.350 1.00 3.11 H new ATOM 276 N VAL A 17 6.809 7.859 -4.082 1.00 51.14 N ATOM 277 CA VAL A 17 6.361 9.245 -4.028 1.00 13.45 C ATOM 278 C VAL A 17 5.099 9.382 -3.183 1.00 53.02 C ATOM 279 O VAL A 17 4.564 8.392 -2.685 1.00 11.20 O ATOM 280 CB VAL A 17 6.085 9.802 -5.437 1.00 1.41 C ATOM 281 CG1 VAL A 17 4.638 9.554 -5.836 1.00 3.33 C ATOM 282 CG2 VAL A 17 6.416 11.286 -5.497 1.00 65.23 C ATOM 0 H VAL A 17 6.058 7.171 -4.027 1.00 51.14 H new ATOM 0 HA VAL A 17 7.166 9.820 -3.570 1.00 13.45 H new ATOM 0 HB VAL A 17 6.727 9.280 -6.147 1.00 1.41 H new ATOM 0 HG11 VAL A 17 4.462 9.955 -6.834 1.00 3.33 H new ATOM 0 HG12 VAL A 17 4.439 8.482 -5.835 1.00 3.33 H new ATOM 0 HG13 VAL A 17 3.975 10.047 -5.125 1.00 3.33 H new ATOM 0 HG21 VAL A 17 6.215 11.663 -6.500 1.00 65.23 H new ATOM 0 HG22 VAL A 17 5.801 11.825 -4.776 1.00 65.23 H new ATOM 0 HG23 VAL A 17 7.469 11.434 -5.258 1.00 65.23 H new ATOM 292 N GLU A 18 4.628 10.616 -3.028 1.00 30.55 N ATOM 293 CA GLU A 18 3.428 10.881 -2.242 1.00 43.14 C ATOM 294 C GLU A 18 2.417 11.689 -3.051 1.00 31.14 C ATOM 295 O GLU A 18 2.736 12.271 -4.088 1.00 32.42 O ATOM 296 CB GLU A 18 3.788 11.632 -0.959 1.00 31.25 C ATOM 297 CG GLU A 18 3.810 10.748 0.277 1.00 10.24 C ATOM 298 CD GLU A 18 3.849 11.548 1.565 1.00 31.54 C ATOM 299 OE1 GLU A 18 4.947 12.005 1.946 1.00 20.43 O ATOM 300 OE2 GLU A 18 2.782 11.716 2.192 1.00 22.24 O ATOM 0 H GLU A 18 5.058 11.446 -3.435 1.00 30.55 H new ATOM 0 HA GLU A 18 2.977 9.924 -1.980 1.00 43.14 H new ATOM 0 HB2 GLU A 18 4.767 12.095 -1.082 1.00 31.25 H new ATOM 0 HB3 GLU A 18 3.071 12.438 -0.806 1.00 31.25 H new ATOM 0 HG2 GLU A 18 2.927 10.108 0.277 1.00 10.24 H new ATOM 0 HG3 GLU A 18 4.679 10.092 0.235 1.00 10.24 H new ATOM 307 N PRO A 19 1.167 11.726 -2.566 1.00 11.14 N ATOM 308 CA PRO A 19 0.083 12.459 -3.227 1.00 32.25 C ATOM 309 C PRO A 19 0.267 13.970 -3.138 1.00 74.15 C ATOM 310 O PRO A 19 -0.147 14.708 -4.032 1.00 55.32 O ATOM 311 CB PRO A 19 -1.163 12.025 -2.450 1.00 11.51 C ATOM 312 CG PRO A 19 -0.654 11.633 -1.106 1.00 72.51 C ATOM 313 CD PRO A 19 0.716 11.056 -1.334 1.00 52.13 C ATOM 0 HA PRO A 19 0.034 12.241 -4.294 1.00 32.25 H new ATOM 0 HB2 PRO A 19 -1.887 12.837 -2.378 1.00 11.51 H new ATOM 0 HB3 PRO A 19 -1.666 11.192 -2.941 1.00 11.51 H new ATOM 0 HG2 PRO A 19 -0.609 12.494 -0.439 1.00 72.51 H new ATOM 0 HG3 PRO A 19 -1.312 10.902 -0.637 1.00 72.51 H new ATOM 0 HD2 PRO A 19 1.383 11.262 -0.497 1.00 52.13 H new ATOM 0 HD3 PRO A 19 0.681 9.973 -1.455 1.00 52.13 H new ATOM 321 N SER A 20 0.890 14.424 -2.056 1.00 24.50 N ATOM 322 CA SER A 20 1.126 15.848 -1.850 1.00 20.21 C ATOM 323 C SER A 20 2.379 16.304 -2.591 1.00 25.24 C ATOM 324 O SER A 20 2.727 17.485 -2.577 1.00 31.21 O ATOM 325 CB SER A 20 1.263 16.153 -0.357 1.00 74.00 C ATOM 326 OG SER A 20 0.163 15.636 0.372 1.00 54.42 O ATOM 0 H SER A 20 1.241 13.826 -1.308 1.00 24.50 H new ATOM 0 HA SER A 20 0.271 16.394 -2.248 1.00 20.21 H new ATOM 0 HB2 SER A 20 2.190 15.722 0.022 1.00 74.00 H new ATOM 0 HB3 SER A 20 1.328 17.231 -0.207 1.00 74.00 H new ATOM 0 HG SER A 20 0.275 15.842 1.323 1.00 54.42 H new ATOM 332 N ASP A 21 3.054 15.359 -3.236 1.00 70.21 N ATOM 333 CA ASP A 21 4.269 15.662 -3.984 1.00 74.01 C ATOM 334 C ASP A 21 3.933 16.186 -5.377 1.00 14.54 C ATOM 335 O ASP A 21 3.118 15.603 -6.093 1.00 21.35 O ATOM 336 CB ASP A 21 5.150 14.417 -4.094 1.00 32.34 C ATOM 337 CG ASP A 21 6.431 14.542 -3.293 1.00 30.24 C ATOM 338 OD1 ASP A 21 7.359 15.233 -3.762 1.00 73.25 O ATOM 339 OD2 ASP A 21 6.506 13.948 -2.196 1.00 42.03 O ATOM 0 H ASP A 21 2.781 14.377 -3.256 1.00 70.21 H new ATOM 0 HA ASP A 21 4.814 16.437 -3.445 1.00 74.01 H new ATOM 0 HB2 ASP A 21 4.591 13.548 -3.747 1.00 32.34 H new ATOM 0 HB3 ASP A 21 5.395 14.240 -5.141 1.00 32.34 H new ATOM 344 N THR A 22 4.565 17.293 -5.755 1.00 53.13 N ATOM 345 CA THR A 22 4.332 17.898 -7.061 1.00 34.14 C ATOM 346 C THR A 22 5.497 17.631 -8.006 1.00 41.12 C ATOM 347 O THR A 22 6.638 17.472 -7.571 1.00 11.14 O ATOM 348 CB THR A 22 4.117 19.419 -6.945 1.00 20.21 C ATOM 349 OG1 THR A 22 4.134 20.016 -8.246 1.00 51.31 O ATOM 350 CG2 THR A 22 5.193 20.053 -6.076 1.00 61.43 C ATOM 0 H THR A 22 5.242 17.789 -5.175 1.00 53.13 H new ATOM 0 HA THR A 22 3.429 17.441 -7.465 1.00 34.14 H new ATOM 0 HB THR A 22 3.147 19.592 -6.479 1.00 20.21 H new ATOM 0 HG1 THR A 22 3.995 20.983 -8.164 1.00 51.31 H new ATOM 0 HG21 THR A 22 5.020 21.127 -6.009 1.00 61.43 H new ATOM 0 HG22 THR A 22 5.158 19.617 -5.078 1.00 61.43 H new ATOM 0 HG23 THR A 22 6.172 19.870 -6.518 1.00 61.43 H new ATOM 358 N ILE A 23 5.203 17.584 -9.301 1.00 65.21 N ATOM 359 CA ILE A 23 6.228 17.338 -10.308 1.00 24.01 C ATOM 360 C ILE A 23 7.366 18.347 -10.192 1.00 51.02 C ATOM 361 O ILE A 23 8.522 18.027 -10.467 1.00 11.42 O ATOM 362 CB ILE A 23 5.645 17.400 -11.732 1.00 21.11 C ATOM 363 CG1 ILE A 23 4.807 16.152 -12.018 1.00 64.02 C ATOM 364 CG2 ILE A 23 6.761 17.541 -12.756 1.00 5.52 C ATOM 365 CD1 ILE A 23 3.324 16.359 -11.809 1.00 53.22 C ATOM 0 H ILE A 23 4.264 17.713 -9.677 1.00 65.21 H new ATOM 0 HA ILE A 23 6.615 16.335 -10.126 1.00 24.01 H new ATOM 0 HB ILE A 23 4.998 18.274 -11.806 1.00 21.11 H new ATOM 0 HG12 ILE A 23 4.980 15.836 -13.047 1.00 64.02 H new ATOM 0 HG13 ILE A 23 5.147 15.341 -11.374 1.00 64.02 H new ATOM 0 HG21 ILE A 23 6.333 17.583 -13.757 1.00 5.52 H new ATOM 0 HG22 ILE A 23 7.320 18.456 -12.561 1.00 5.52 H new ATOM 0 HG23 ILE A 23 7.431 16.684 -12.684 1.00 5.52 H new ATOM 0 HD11 ILE A 23 2.793 15.433 -12.030 1.00 53.22 H new ATOM 0 HD12 ILE A 23 3.139 16.645 -10.774 1.00 53.22 H new ATOM 0 HD13 ILE A 23 2.970 17.148 -12.472 1.00 53.22 H new ATOM 377 N GLU A 24 7.029 19.566 -9.782 1.00 60.11 N ATOM 378 CA GLU A 24 8.023 20.622 -9.629 1.00 62.41 C ATOM 379 C GLU A 24 8.984 20.303 -8.487 1.00 61.34 C ATOM 380 O GLU A 24 10.197 20.461 -8.620 1.00 52.23 O ATOM 381 CB GLU A 24 7.338 21.965 -9.373 1.00 15.30 C ATOM 382 CG GLU A 24 8.289 23.150 -9.405 1.00 34.21 C ATOM 383 CD GLU A 24 8.685 23.617 -8.018 1.00 13.51 C ATOM 384 OE1 GLU A 24 8.899 22.755 -7.140 1.00 71.14 O ATOM 385 OE2 GLU A 24 8.780 24.845 -7.810 1.00 22.13 O ATOM 0 H GLU A 24 6.076 19.846 -9.550 1.00 60.11 H new ATOM 0 HA GLU A 24 8.594 20.685 -10.555 1.00 62.41 H new ATOM 0 HB2 GLU A 24 6.560 22.115 -10.121 1.00 15.30 H new ATOM 0 HB3 GLU A 24 6.845 21.932 -8.402 1.00 15.30 H new ATOM 0 HG2 GLU A 24 9.185 22.877 -9.962 1.00 34.21 H new ATOM 0 HG3 GLU A 24 7.819 23.974 -9.941 1.00 34.21 H new ATOM 392 N ASN A 25 8.432 19.853 -7.365 1.00 71.23 N ATOM 393 CA ASN A 25 9.239 19.513 -6.199 1.00 61.42 C ATOM 394 C ASN A 25 10.013 18.219 -6.432 1.00 65.13 C ATOM 395 O ASN A 25 11.203 18.131 -6.127 1.00 71.12 O ATOM 396 CB ASN A 25 8.351 19.372 -4.961 1.00 53.34 C ATOM 397 CG ASN A 25 9.155 19.162 -3.693 1.00 62.22 C ATOM 398 OD1 ASN A 25 10.303 19.595 -3.594 1.00 1.41 O ATOM 399 ND2 ASN A 25 8.554 18.493 -2.716 1.00 25.30 N ATOM 0 H ASN A 25 7.429 19.715 -7.239 1.00 71.23 H new ATOM 0 HA ASN A 25 9.954 20.320 -6.036 1.00 61.42 H new ATOM 0 HB2 ASN A 25 7.737 20.266 -4.854 1.00 53.34 H new ATOM 0 HB3 ASN A 25 7.670 18.532 -5.099 1.00 53.34 H new ATOM 0 HD21 ASN A 25 9.045 18.320 -1.839 1.00 25.30 H new ATOM 0 HD22 ASN A 25 7.601 18.152 -2.842 1.00 25.30 H new ATOM 406 N VAL A 26 9.330 17.216 -6.976 1.00 4.40 N ATOM 407 CA VAL A 26 9.954 15.928 -7.252 1.00 33.40 C ATOM 408 C VAL A 26 11.149 16.084 -8.185 1.00 24.13 C ATOM 409 O VAL A 26 12.143 15.367 -8.064 1.00 61.14 O ATOM 410 CB VAL A 26 8.951 14.942 -7.882 1.00 11.55 C ATOM 411 CG1 VAL A 26 9.650 13.652 -8.282 1.00 15.11 C ATOM 412 CG2 VAL A 26 7.805 14.662 -6.921 1.00 3.24 C ATOM 0 H VAL A 26 8.345 17.271 -7.234 1.00 4.40 H new ATOM 0 HA VAL A 26 10.293 15.530 -6.296 1.00 33.40 H new ATOM 0 HB VAL A 26 8.537 15.397 -8.782 1.00 11.55 H new ATOM 0 HG11 VAL A 26 8.926 12.968 -8.725 1.00 15.11 H new ATOM 0 HG12 VAL A 26 10.433 13.872 -9.008 1.00 15.11 H new ATOM 0 HG13 VAL A 26 10.093 13.190 -7.400 1.00 15.11 H new ATOM 0 HG21 VAL A 26 7.106 13.964 -7.382 1.00 3.24 H new ATOM 0 HG22 VAL A 26 8.199 14.228 -6.002 1.00 3.24 H new ATOM 0 HG23 VAL A 26 7.288 15.593 -6.690 1.00 3.24 H new ATOM 422 N LYS A 27 11.047 17.027 -9.115 1.00 65.23 N ATOM 423 CA LYS A 27 12.121 17.280 -10.069 1.00 52.41 C ATOM 424 C LYS A 27 13.393 17.721 -9.352 1.00 50.01 C ATOM 425 O LYS A 27 14.495 17.310 -9.715 1.00 11.32 O ATOM 426 CB LYS A 27 11.694 18.350 -11.076 1.00 54.43 C ATOM 427 CG LYS A 27 12.753 19.410 -11.324 1.00 10.54 C ATOM 428 CD LYS A 27 12.294 20.428 -12.354 1.00 54.13 C ATOM 429 CE LYS A 27 13.385 21.442 -12.661 1.00 50.11 C ATOM 430 NZ LYS A 27 12.912 22.500 -13.596 1.00 40.13 N ATOM 0 H LYS A 27 10.232 17.629 -9.229 1.00 65.23 H new ATOM 0 HA LYS A 27 12.328 16.351 -10.600 1.00 52.41 H new ATOM 0 HB2 LYS A 27 11.446 17.868 -12.022 1.00 54.43 H new ATOM 0 HB3 LYS A 27 10.786 18.833 -10.716 1.00 54.43 H new ATOM 0 HG2 LYS A 27 12.986 19.918 -10.388 1.00 10.54 H new ATOM 0 HG3 LYS A 27 13.672 18.934 -11.666 1.00 10.54 H new ATOM 0 HD2 LYS A 27 12.005 19.914 -13.271 1.00 54.13 H new ATOM 0 HD3 LYS A 27 11.408 20.946 -11.986 1.00 54.13 H new ATOM 0 HE2 LYS A 27 13.724 21.903 -11.733 1.00 50.11 H new ATOM 0 HE3 LYS A 27 14.244 20.931 -13.096 1.00 50.11 H new ATOM 0 HZ1 LYS A 27 13.685 23.171 -13.780 1.00 40.13 H new ATOM 0 HZ2 LYS A 27 12.612 22.064 -14.491 1.00 40.13 H new ATOM 0 HZ3 LYS A 27 12.108 23.005 -13.171 1.00 40.13 H new ATOM 444 N ALA A 28 13.232 18.558 -8.332 1.00 64.13 N ATOM 445 CA ALA A 28 14.368 19.051 -7.563 1.00 31.13 C ATOM 446 C ALA A 28 15.161 17.899 -6.955 1.00 31.11 C ATOM 447 O ALA A 28 16.389 17.949 -6.879 1.00 33.44 O ATOM 448 CB ALA A 28 13.894 20.001 -6.473 1.00 21.03 C ATOM 0 H ALA A 28 12.327 18.908 -8.019 1.00 64.13 H new ATOM 0 HA ALA A 28 15.027 19.593 -8.241 1.00 31.13 H new ATOM 0 HB1 ALA A 28 14.752 20.362 -5.906 1.00 21.03 H new ATOM 0 HB2 ALA A 28 13.377 20.847 -6.927 1.00 21.03 H new ATOM 0 HB3 ALA A 28 13.212 19.476 -5.804 1.00 21.03 H new ATOM 454 N LYS A 29 14.452 16.862 -6.523 1.00 33.24 N ATOM 455 CA LYS A 29 15.088 15.696 -5.921 1.00 45.14 C ATOM 456 C LYS A 29 15.967 14.972 -6.936 1.00 41.05 C ATOM 457 O LYS A 29 17.035 14.462 -6.595 1.00 54.10 O ATOM 458 CB LYS A 29 14.030 14.738 -5.372 1.00 34.52 C ATOM 459 CG LYS A 29 14.613 13.494 -4.723 1.00 12.20 C ATOM 460 CD LYS A 29 14.179 13.367 -3.272 1.00 65.22 C ATOM 461 CE LYS A 29 14.670 12.066 -2.656 1.00 65.20 C ATOM 462 NZ LYS A 29 16.149 12.061 -2.475 1.00 74.23 N ATOM 0 H LYS A 29 13.435 16.805 -6.579 1.00 33.24 H new ATOM 0 HA LYS A 29 15.718 16.040 -5.100 1.00 45.14 H new ATOM 0 HB2 LYS A 29 13.418 15.266 -4.641 1.00 34.52 H new ATOM 0 HB3 LYS A 29 13.368 14.438 -6.184 1.00 34.52 H new ATOM 0 HG2 LYS A 29 14.296 12.611 -5.277 1.00 12.20 H new ATOM 0 HG3 LYS A 29 15.701 13.530 -4.777 1.00 12.20 H new ATOM 0 HD2 LYS A 29 14.566 14.210 -2.700 1.00 65.22 H new ATOM 0 HD3 LYS A 29 13.092 13.412 -3.211 1.00 65.22 H new ATOM 0 HE2 LYS A 29 14.186 11.915 -1.691 1.00 65.20 H new ATOM 0 HE3 LYS A 29 14.379 11.230 -3.293 1.00 65.20 H new ATOM 0 HZ1 LYS A 29 16.437 11.186 -1.991 1.00 74.23 H new ATOM 0 HZ2 LYS A 29 16.613 12.111 -3.405 1.00 74.23 H new ATOM 0 HZ3 LYS A 29 16.431 12.882 -1.903 1.00 74.23 H new ATOM 476 N ILE A 30 15.512 14.932 -8.184 1.00 50.22 N ATOM 477 CA ILE A 30 16.258 14.273 -9.248 1.00 65.24 C ATOM 478 C ILE A 30 17.541 15.032 -9.572 1.00 31.20 C ATOM 479 O ILE A 30 18.595 14.430 -9.772 1.00 65.13 O ATOM 480 CB ILE A 30 15.415 14.143 -10.530 1.00 60.54 C ATOM 481 CG1 ILE A 30 14.144 13.339 -10.251 1.00 34.41 C ATOM 482 CG2 ILE A 30 16.230 13.488 -11.636 1.00 53.21 C ATOM 483 CD1 ILE A 30 13.100 13.460 -11.339 1.00 43.24 C ATOM 0 H ILE A 30 14.630 15.348 -8.483 1.00 50.22 H new ATOM 0 HA ILE A 30 16.510 13.276 -8.886 1.00 65.24 H new ATOM 0 HB ILE A 30 15.126 15.141 -10.860 1.00 60.54 H new ATOM 0 HG12 ILE A 30 14.408 12.289 -10.128 1.00 34.41 H new ATOM 0 HG13 ILE A 30 13.713 13.672 -9.307 1.00 34.41 H new ATOM 0 HG21 ILE A 30 15.620 13.403 -12.536 1.00 53.21 H new ATOM 0 HG22 ILE A 30 17.109 14.096 -11.849 1.00 53.21 H new ATOM 0 HG23 ILE A 30 16.545 12.495 -11.316 1.00 53.21 H new ATOM 0 HD11 ILE A 30 12.227 12.864 -11.073 1.00 43.24 H new ATOM 0 HD12 ILE A 30 12.807 14.504 -11.448 1.00 43.24 H new ATOM 0 HD13 ILE A 30 13.513 13.099 -12.281 1.00 43.24 H new ATOM 495 N GLN A 31 17.442 16.356 -9.619 1.00 42.44 N ATOM 496 CA GLN A 31 18.595 17.198 -9.918 1.00 22.45 C ATOM 497 C GLN A 31 19.619 17.138 -8.789 1.00 11.14 C ATOM 498 O GLN A 31 20.817 17.312 -9.014 1.00 13.42 O ATOM 499 CB GLN A 31 18.153 18.644 -10.145 1.00 14.12 C ATOM 500 CG GLN A 31 17.234 18.818 -11.343 1.00 52.13 C ATOM 501 CD GLN A 31 17.680 19.938 -12.263 1.00 34.12 C ATOM 502 OE1 GLN A 31 18.546 19.613 -13.215 1.00 14.04 O flip ATOM 503 NE2 GLN A 31 17.251 21.083 -12.119 1.00 74.44 N flip ATOM 0 H GLN A 31 16.576 16.869 -9.454 1.00 42.44 H new ATOM 0 HA GLN A 31 19.062 16.822 -10.828 1.00 22.45 H new ATOM 0 HB2 GLN A 31 17.643 19.004 -9.251 1.00 14.12 H new ATOM 0 HB3 GLN A 31 19.036 19.268 -10.281 1.00 14.12 H new ATOM 0 HG2 GLN A 31 17.195 17.885 -11.905 1.00 52.13 H new ATOM 0 HG3 GLN A 31 16.222 19.022 -10.993 1.00 52.13 H new ATOM 0 HE21 GLN A 31 16.586 21.288 -11.373 1.00 74.44 H new ATOM 0 HE22 GLN A 31 17.561 21.826 -12.745 1.00 74.44 H new ATOM 512 N ASP A 32 19.140 16.891 -7.575 1.00 14.35 N ATOM 513 CA ASP A 32 20.013 16.808 -6.410 1.00 2.21 C ATOM 514 C ASP A 32 20.721 15.458 -6.357 1.00 21.12 C ATOM 515 O ASP A 32 21.635 15.255 -5.557 1.00 60.32 O ATOM 516 CB ASP A 32 19.210 17.028 -5.127 1.00 23.13 C ATOM 517 CG ASP A 32 20.054 17.605 -4.007 1.00 64.23 C ATOM 518 OD1 ASP A 32 21.266 17.305 -3.962 1.00 41.25 O ATOM 519 OD2 ASP A 32 19.503 18.357 -3.177 1.00 24.35 O ATOM 0 H ASP A 32 18.151 16.745 -7.372 1.00 14.35 H new ATOM 0 HA ASP A 32 20.767 17.590 -6.495 1.00 2.21 H new ATOM 0 HB2 ASP A 32 18.377 17.700 -5.334 1.00 23.13 H new ATOM 0 HB3 ASP A 32 18.781 16.080 -4.803 1.00 23.13 H new ATOM 524 N LYS A 33 20.292 14.537 -7.213 1.00 23.20 N ATOM 525 CA LYS A 33 20.884 13.205 -7.265 1.00 1.30 C ATOM 526 C LYS A 33 21.705 13.024 -8.538 1.00 0.03 C ATOM 527 O LYS A 33 22.762 12.394 -8.520 1.00 51.23 O ATOM 528 CB LYS A 33 19.792 12.136 -7.194 1.00 14.05 C ATOM 529 CG LYS A 33 20.329 10.715 -7.205 1.00 41.55 C ATOM 530 CD LYS A 33 20.091 10.018 -5.877 1.00 0.04 C ATOM 531 CE LYS A 33 19.954 8.514 -6.053 1.00 63.55 C ATOM 532 NZ LYS A 33 21.235 7.804 -5.782 1.00 44.51 N ATOM 0 H LYS A 33 19.536 14.688 -7.881 1.00 23.20 H new ATOM 0 HA LYS A 33 21.547 13.096 -6.407 1.00 1.30 H new ATOM 0 HB2 LYS A 33 19.206 12.287 -6.287 1.00 14.05 H new ATOM 0 HB3 LYS A 33 19.113 12.265 -8.037 1.00 14.05 H new ATOM 0 HG2 LYS A 33 19.849 10.150 -8.004 1.00 41.55 H new ATOM 0 HG3 LYS A 33 21.397 10.731 -7.422 1.00 41.55 H new ATOM 0 HD2 LYS A 33 20.917 10.232 -5.199 1.00 0.04 H new ATOM 0 HD3 LYS A 33 19.188 10.415 -5.413 1.00 0.04 H new ATOM 0 HE2 LYS A 33 19.182 8.139 -5.381 1.00 63.55 H new ATOM 0 HE3 LYS A 33 19.626 8.296 -7.069 1.00 63.55 H new ATOM 0 HZ1 LYS A 33 21.099 6.781 -5.913 1.00 44.51 H new ATOM 0 HZ2 LYS A 33 21.966 8.143 -6.440 1.00 44.51 H new ATOM 0 HZ3 LYS A 33 21.535 7.991 -4.804 1.00 44.51 H new ATOM 546 N GLU A 34 21.212 13.581 -9.639 1.00 52.42 N ATOM 547 CA GLU A 34 21.901 13.481 -10.920 1.00 64.21 C ATOM 548 C GLU A 34 22.158 14.865 -11.510 1.00 74.42 C ATOM 549 O GLU A 34 23.181 15.098 -12.153 1.00 34.24 O ATOM 550 CB GLU A 34 21.082 12.640 -11.901 1.00 71.31 C ATOM 551 CG GLU A 34 21.812 11.405 -12.402 1.00 22.02 C ATOM 552 CD GLU A 34 21.639 10.212 -11.482 1.00 63.21 C ATOM 553 OE1 GLU A 34 20.937 10.348 -10.459 1.00 32.42 O ATOM 554 OE2 GLU A 34 22.207 9.142 -11.787 1.00 30.25 O ATOM 0 H GLU A 34 20.338 14.106 -9.670 1.00 52.42 H new ATOM 0 HA GLU A 34 22.861 12.994 -10.749 1.00 64.21 H new ATOM 0 HB2 GLU A 34 20.155 12.332 -11.417 1.00 71.31 H new ATOM 0 HB3 GLU A 34 20.805 13.259 -12.754 1.00 71.31 H new ATOM 0 HG2 GLU A 34 21.445 11.149 -13.396 1.00 22.02 H new ATOM 0 HG3 GLU A 34 22.874 11.631 -12.502 1.00 22.02 H new ATOM 561 N GLY A 35 21.219 15.780 -11.287 1.00 61.23 N ATOM 562 CA GLY A 35 21.361 17.129 -11.804 1.00 33.42 C ATOM 563 C GLY A 35 20.935 17.242 -13.254 1.00 74.31 C ATOM 564 O GLY A 35 21.383 18.137 -13.971 1.00 73.34 O ATOM 0 H GLY A 35 20.363 15.611 -10.758 1.00 61.23 H new ATOM 0 HA2 GLY A 35 20.764 17.811 -11.199 1.00 33.42 H new ATOM 0 HA3 GLY A 35 22.400 17.444 -11.708 1.00 33.42 H new ATOM 568 N ILE A 36 20.069 16.332 -13.687 1.00 75.13 N ATOM 569 CA ILE A 36 19.583 16.334 -15.062 1.00 31.44 C ATOM 570 C ILE A 36 18.303 17.152 -15.191 1.00 52.13 C ATOM 571 O ILE A 36 17.234 16.757 -14.725 1.00 40.11 O ATOM 572 CB ILE A 36 19.318 14.903 -15.567 1.00 13.12 C ATOM 573 CG1 ILE A 36 18.514 14.114 -14.531 1.00 71.02 C ATOM 574 CG2 ILE A 36 20.630 14.199 -15.876 1.00 22.54 C ATOM 575 CD1 ILE A 36 17.496 13.176 -15.143 1.00 4.45 C ATOM 0 H ILE A 36 19.690 15.584 -13.106 1.00 75.13 H new ATOM 0 HA ILE A 36 20.364 16.787 -15.673 1.00 31.44 H new ATOM 0 HB ILE A 36 18.734 14.960 -16.486 1.00 13.12 H new ATOM 0 HG12 ILE A 36 19.201 13.537 -13.912 1.00 71.02 H new ATOM 0 HG13 ILE A 36 18.001 14.814 -13.871 1.00 71.02 H new ATOM 0 HG21 ILE A 36 20.426 13.189 -16.232 1.00 22.54 H new ATOM 0 HG22 ILE A 36 21.168 14.753 -16.645 1.00 22.54 H new ATOM 0 HG23 ILE A 36 21.238 14.150 -14.973 1.00 22.54 H new ATOM 0 HD11 ILE A 36 16.963 12.650 -14.351 1.00 4.45 H new ATOM 0 HD12 ILE A 36 16.786 13.749 -15.739 1.00 4.45 H new ATOM 0 HD13 ILE A 36 18.005 12.453 -15.780 1.00 4.45 H new ATOM 587 N PRO A 37 18.411 18.320 -15.842 1.00 12.24 N ATOM 588 CA PRO A 37 17.271 19.218 -16.050 1.00 41.24 C ATOM 589 C PRO A 37 16.259 18.650 -17.039 1.00 35.44 C ATOM 590 O PRO A 37 16.575 18.363 -18.193 1.00 64.12 O ATOM 591 CB PRO A 37 17.917 20.485 -16.616 1.00 40.43 C ATOM 592 CG PRO A 37 19.179 20.015 -17.253 1.00 3.43 C ATOM 593 CD PRO A 37 19.654 18.854 -16.424 1.00 13.04 C ATOM 0 HA PRO A 37 16.709 19.383 -15.131 1.00 41.24 H new ATOM 0 HB2 PRO A 37 17.265 20.972 -17.341 1.00 40.43 H new ATOM 0 HB3 PRO A 37 18.118 21.212 -15.829 1.00 40.43 H new ATOM 0 HG2 PRO A 37 19.006 19.712 -18.286 1.00 3.43 H new ATOM 0 HG3 PRO A 37 19.925 20.810 -17.275 1.00 3.43 H new ATOM 0 HD2 PRO A 37 20.166 18.108 -17.032 1.00 13.04 H new ATOM 0 HD3 PRO A 37 20.355 19.171 -15.652 1.00 13.04 H new ATOM 601 N PRO A 38 15.010 18.482 -16.577 1.00 41.35 N ATOM 602 CA PRO A 38 13.925 17.947 -17.406 1.00 4.52 C ATOM 603 C PRO A 38 13.496 18.921 -18.498 1.00 62.02 C ATOM 604 O PRO A 38 12.312 19.026 -18.819 1.00 63.34 O ATOM 605 CB PRO A 38 12.788 17.732 -16.405 1.00 32.15 C ATOM 606 CG PRO A 38 13.064 18.697 -15.304 1.00 22.24 C ATOM 607 CD PRO A 38 14.561 18.803 -15.212 1.00 64.21 C ATOM 0 HA PRO A 38 14.224 17.041 -17.934 1.00 4.52 H new ATOM 0 HB2 PRO A 38 11.817 17.921 -16.863 1.00 32.15 H new ATOM 0 HB3 PRO A 38 12.773 16.706 -16.037 1.00 32.15 H new ATOM 0 HG2 PRO A 38 12.616 19.668 -15.515 1.00 22.24 H new ATOM 0 HG3 PRO A 38 12.639 18.348 -14.363 1.00 22.24 H new ATOM 0 HD2 PRO A 38 14.875 19.802 -14.910 1.00 64.21 H new ATOM 0 HD3 PRO A 38 14.969 18.106 -14.480 1.00 64.21 H new ATOM 615 N ASP A 39 14.465 19.631 -19.066 1.00 22.43 N ATOM 616 CA ASP A 39 14.187 20.595 -20.124 1.00 5.03 C ATOM 617 C ASP A 39 14.019 19.893 -21.468 1.00 14.42 C ATOM 618 O ASP A 39 13.371 20.417 -22.374 1.00 62.21 O ATOM 619 CB ASP A 39 15.313 21.627 -20.211 1.00 20.11 C ATOM 620 CG ASP A 39 15.226 22.672 -19.116 1.00 41.34 C ATOM 621 OD1 ASP A 39 14.425 22.483 -18.177 1.00 52.20 O ATOM 622 OD2 ASP A 39 15.960 23.679 -19.199 1.00 11.14 O ATOM 0 H ASP A 39 15.450 19.557 -18.811 1.00 22.43 H new ATOM 0 HA ASP A 39 13.255 21.105 -19.882 1.00 5.03 H new ATOM 0 HB2 ASP A 39 16.275 21.118 -20.148 1.00 20.11 H new ATOM 0 HB3 ASP A 39 15.277 22.119 -21.183 1.00 20.11 H new ATOM 627 N GLN A 40 14.606 18.707 -21.588 1.00 41.44 N ATOM 628 CA GLN A 40 14.522 17.936 -22.823 1.00 30.22 C ATOM 629 C GLN A 40 13.711 16.661 -22.614 1.00 14.41 C ATOM 630 O GLN A 40 13.399 15.950 -23.568 1.00 65.25 O ATOM 631 CB GLN A 40 15.923 17.586 -23.327 1.00 21.43 C ATOM 632 CG GLN A 40 16.732 16.752 -22.346 1.00 12.23 C ATOM 633 CD GLN A 40 18.191 17.160 -22.297 1.00 40.35 C ATOM 634 OE1 GLN A 40 19.081 16.361 -22.590 1.00 1.32 O ATOM 635 NE2 GLN A 40 18.444 18.410 -21.927 1.00 45.24 N ATOM 0 H GLN A 40 15.144 18.259 -20.846 1.00 41.44 H new ATOM 0 HA GLN A 40 14.017 18.548 -23.570 1.00 30.22 H new ATOM 0 HB2 GLN A 40 15.836 17.043 -24.268 1.00 21.43 H new ATOM 0 HB3 GLN A 40 16.464 18.508 -23.540 1.00 21.43 H new ATOM 0 HG2 GLN A 40 16.299 16.847 -21.350 1.00 12.23 H new ATOM 0 HG3 GLN A 40 16.662 15.701 -22.625 1.00 12.23 H new ATOM 0 HE21 GLN A 40 17.675 19.038 -21.693 1.00 45.24 H new ATOM 0 HE22 GLN A 40 19.407 18.742 -21.877 1.00 45.24 H new ATOM 644 N GLN A 41 13.372 16.380 -21.360 1.00 2.13 N ATOM 645 CA GLN A 41 12.598 15.190 -21.026 1.00 51.44 C ATOM 646 C GLN A 41 11.102 15.470 -21.121 1.00 13.51 C ATOM 647 O GLN A 41 10.616 16.480 -20.611 1.00 11.04 O ATOM 648 CB GLN A 41 12.950 14.705 -19.619 1.00 70.43 C ATOM 649 CG GLN A 41 14.346 14.114 -19.511 1.00 64.34 C ATOM 650 CD GLN A 41 14.367 12.797 -18.760 1.00 54.04 C ATOM 651 OE1 GLN A 41 13.337 12.138 -18.612 1.00 10.13 O ATOM 652 NE2 GLN A 41 15.542 12.406 -18.282 1.00 70.11 N ATOM 0 H GLN A 41 13.621 16.960 -20.559 1.00 2.13 H new ATOM 0 HA GLN A 41 12.850 14.410 -21.745 1.00 51.44 H new ATOM 0 HB2 GLN A 41 12.863 15.540 -18.924 1.00 70.43 H new ATOM 0 HB3 GLN A 41 12.222 13.955 -19.309 1.00 70.43 H new ATOM 0 HG2 GLN A 41 14.751 13.963 -20.512 1.00 64.34 H new ATOM 0 HG3 GLN A 41 14.999 14.826 -19.007 1.00 64.34 H new ATOM 0 HE21 GLN A 41 16.370 12.984 -18.428 1.00 70.11 H new ATOM 0 HE22 GLN A 41 15.617 11.528 -17.769 1.00 70.11 H new ATOM 661 N ARG A 42 10.377 14.571 -21.777 1.00 75.42 N ATOM 662 CA ARG A 42 8.936 14.722 -21.940 1.00 13.01 C ATOM 663 C ARG A 42 8.199 13.481 -21.444 1.00 62.13 C ATOM 664 O ARG A 42 8.400 12.380 -21.959 1.00 34.10 O ATOM 665 CB ARG A 42 8.591 14.980 -23.408 1.00 1.42 C ATOM 666 CG ARG A 42 7.334 15.813 -23.601 1.00 5.41 C ATOM 667 CD ARG A 42 7.639 17.302 -23.547 1.00 3.33 C ATOM 668 NE ARG A 42 7.022 17.946 -22.390 1.00 22.41 N ATOM 669 CZ ARG A 42 7.412 19.120 -21.907 1.00 24.10 C ATOM 670 NH1 ARG A 42 8.413 19.776 -22.478 1.00 70.03 N ATOM 671 NH2 ARG A 42 6.801 19.641 -20.851 1.00 20.53 N ATOM 0 H ARG A 42 10.764 13.730 -22.205 1.00 75.42 H new ATOM 0 HA ARG A 42 8.616 15.576 -21.343 1.00 13.01 H new ATOM 0 HB2 ARG A 42 9.429 15.487 -23.886 1.00 1.42 H new ATOM 0 HB3 ARG A 42 8.465 14.024 -23.916 1.00 1.42 H new ATOM 0 HG2 ARG A 42 6.878 15.568 -24.560 1.00 5.41 H new ATOM 0 HG3 ARG A 42 6.607 15.561 -22.829 1.00 5.41 H new ATOM 0 HD2 ARG A 42 8.718 17.450 -23.511 1.00 3.33 H new ATOM 0 HD3 ARG A 42 7.282 17.778 -24.460 1.00 3.33 H new ATOM 0 HE ARG A 42 6.249 17.468 -21.928 1.00 22.41 H new ATOM 0 HH11 ARG A 42 8.885 19.379 -23.290 1.00 70.03 H new ATOM 0 HH12 ARG A 42 8.711 20.678 -22.105 1.00 70.03 H new ATOM 0 HH21 ARG A 42 6.031 19.140 -20.409 1.00 20.53 H new ATOM 0 HH22 ARG A 42 7.102 20.543 -20.481 1.00 20.53 H new ATOM 685 N LEU A 43 7.347 13.666 -20.442 1.00 61.10 N ATOM 686 CA LEU A 43 6.581 12.561 -19.876 1.00 14.43 C ATOM 687 C LEU A 43 5.139 12.587 -20.375 1.00 24.44 C ATOM 688 O LEU A 43 4.513 13.645 -20.438 1.00 72.32 O ATOM 689 CB LEU A 43 6.605 12.629 -18.348 1.00 33.43 C ATOM 690 CG LEU A 43 7.989 12.664 -17.699 1.00 60.32 C ATOM 691 CD1 LEU A 43 8.942 11.725 -18.423 1.00 53.23 C ATOM 692 CD2 LEU A 43 8.539 14.083 -17.691 1.00 75.34 C ATOM 0 H LEU A 43 7.169 14.570 -20.005 1.00 61.10 H new ATOM 0 HA LEU A 43 7.042 11.628 -20.200 1.00 14.43 H new ATOM 0 HB2 LEU A 43 6.057 13.518 -18.035 1.00 33.43 H new ATOM 0 HB3 LEU A 43 6.064 11.767 -17.957 1.00 33.43 H new ATOM 0 HG LEU A 43 7.894 12.327 -16.667 1.00 60.32 H new ATOM 0 HD11 LEU A 43 9.922 11.763 -17.947 1.00 53.23 H new ATOM 0 HD12 LEU A 43 8.555 10.707 -18.376 1.00 53.23 H new ATOM 0 HD13 LEU A 43 9.033 12.031 -19.465 1.00 53.23 H new ATOM 0 HD21 LEU A 43 9.525 14.089 -17.225 1.00 75.34 H new ATOM 0 HD22 LEU A 43 8.619 14.448 -18.715 1.00 75.34 H new ATOM 0 HD23 LEU A 43 7.868 14.730 -17.127 1.00 75.34 H new ATOM 704 N ILE A 44 4.620 11.415 -20.725 1.00 15.10 N ATOM 705 CA ILE A 44 3.251 11.303 -21.215 1.00 22.14 C ATOM 706 C ILE A 44 2.491 10.206 -20.476 1.00 44.05 C ATOM 707 O ILE A 44 3.043 9.146 -20.179 1.00 10.21 O ATOM 708 CB ILE A 44 3.216 11.008 -22.726 1.00 4.22 C ATOM 709 CG1 ILE A 44 3.989 12.082 -23.495 1.00 31.11 C ATOM 710 CG2 ILE A 44 1.779 10.928 -23.217 1.00 13.31 C ATOM 711 CD1 ILE A 44 4.053 11.830 -24.985 1.00 71.40 C ATOM 0 H ILE A 44 5.126 10.530 -20.679 1.00 15.10 H new ATOM 0 HA ILE A 44 2.770 12.263 -21.030 1.00 22.14 H new ATOM 0 HB ILE A 44 3.694 10.045 -22.905 1.00 4.22 H new ATOM 0 HG12 ILE A 44 3.522 13.051 -23.318 1.00 31.11 H new ATOM 0 HG13 ILE A 44 5.003 12.140 -23.101 1.00 31.11 H new ATOM 0 HG21 ILE A 44 1.771 10.719 -24.287 1.00 13.31 H new ATOM 0 HG22 ILE A 44 1.257 10.131 -22.688 1.00 13.31 H new ATOM 0 HG23 ILE A 44 1.277 11.877 -23.029 1.00 13.31 H new ATOM 0 HD11 ILE A 44 4.615 12.630 -25.466 1.00 71.40 H new ATOM 0 HD12 ILE A 44 4.547 10.877 -25.172 1.00 71.40 H new ATOM 0 HD13 ILE A 44 3.043 11.801 -25.393 1.00 71.40 H new ATOM 723 N PHE A 45 1.221 10.467 -20.185 1.00 64.11 N ATOM 724 CA PHE A 45 0.384 9.502 -19.482 1.00 64.52 C ATOM 725 C PHE A 45 -1.095 9.782 -19.731 1.00 22.54 C ATOM 726 O PHE A 45 -1.539 10.928 -19.674 1.00 25.11 O ATOM 727 CB PHE A 45 0.677 9.539 -17.981 1.00 30.32 C ATOM 728 CG PHE A 45 -0.258 8.691 -17.167 1.00 21.43 C ATOM 729 CD1 PHE A 45 -0.108 7.314 -17.126 1.00 23.10 C ATOM 730 CD2 PHE A 45 -1.287 9.270 -16.443 1.00 13.34 C ATOM 731 CE1 PHE A 45 -0.966 6.530 -16.378 1.00 10.55 C ATOM 732 CE2 PHE A 45 -2.148 8.492 -15.692 1.00 53.11 C ATOM 733 CZ PHE A 45 -1.988 7.121 -15.660 1.00 73.55 C ATOM 0 H PHE A 45 0.749 11.339 -20.425 1.00 64.11 H new ATOM 0 HA PHE A 45 0.617 8.509 -19.866 1.00 64.52 H new ATOM 0 HB2 PHE A 45 1.700 9.204 -17.810 1.00 30.32 H new ATOM 0 HB3 PHE A 45 0.616 10.570 -17.632 1.00 30.32 H new ATOM 0 HD1 PHE A 45 0.689 6.848 -17.686 1.00 23.10 H new ATOM 0 HD2 PHE A 45 -1.418 10.342 -16.465 1.00 13.34 H new ATOM 0 HE1 PHE A 45 -0.838 5.458 -16.355 1.00 10.55 H new ATOM 0 HE2 PHE A 45 -2.945 8.956 -15.131 1.00 53.11 H new ATOM 0 HZ PHE A 45 -2.661 6.511 -15.075 1.00 73.55 H new ATOM 743 N ALA A 46 -1.853 8.725 -20.007 1.00 4.22 N ATOM 744 CA ALA A 46 -3.282 8.856 -20.263 1.00 5.12 C ATOM 745 C ALA A 46 -3.541 9.672 -21.525 1.00 23.40 C ATOM 746 O ALA A 46 -4.642 10.180 -21.732 1.00 63.22 O ATOM 747 CB ALA A 46 -3.975 9.494 -19.068 1.00 74.13 C ATOM 0 H ALA A 46 -1.501 7.769 -20.059 1.00 4.22 H new ATOM 0 HA ALA A 46 -3.692 7.858 -20.417 1.00 5.12 H new ATOM 0 HB1 ALA A 46 -5.042 9.586 -19.272 1.00 74.13 H new ATOM 0 HB2 ALA A 46 -3.827 8.871 -18.186 1.00 74.13 H new ATOM 0 HB3 ALA A 46 -3.553 10.483 -18.888 1.00 74.13 H new ATOM 753 N GLY A 47 -2.518 9.793 -22.366 1.00 51.02 N ATOM 754 CA GLY A 47 -2.656 10.549 -23.597 1.00 71.34 C ATOM 755 C GLY A 47 -2.597 12.046 -23.368 1.00 70.15 C ATOM 756 O GLY A 47 -2.696 12.831 -24.312 1.00 63.41 O ATOM 0 H GLY A 47 -1.597 9.381 -22.217 1.00 51.02 H new ATOM 0 HA2 GLY A 47 -1.865 10.259 -24.288 1.00 71.34 H new ATOM 0 HA3 GLY A 47 -3.604 10.294 -24.072 1.00 71.34 H new ATOM 760 N LYS A 48 -2.437 12.445 -22.111 1.00 71.32 N ATOM 761 CA LYS A 48 -2.365 13.858 -21.759 1.00 75.14 C ATOM 762 C LYS A 48 -0.952 14.242 -21.333 1.00 70.43 C ATOM 763 O LYS A 48 -0.336 13.561 -20.514 1.00 3.33 O ATOM 764 CB LYS A 48 -3.353 14.175 -20.634 1.00 3.11 C ATOM 765 CG LYS A 48 -4.214 15.396 -20.907 1.00 10.14 C ATOM 766 CD LYS A 48 -5.067 15.211 -22.151 1.00 24.34 C ATOM 767 CE LYS A 48 -4.871 16.353 -23.136 1.00 30.03 C ATOM 768 NZ LYS A 48 -5.189 15.942 -24.531 1.00 45.24 N ATOM 0 H LYS A 48 -2.355 11.809 -21.318 1.00 71.32 H new ATOM 0 HA LYS A 48 -2.629 14.441 -22.642 1.00 75.14 H new ATOM 0 HB2 LYS A 48 -4.000 13.312 -20.476 1.00 3.11 H new ATOM 0 HB3 LYS A 48 -2.799 14.331 -19.708 1.00 3.11 H new ATOM 0 HG2 LYS A 48 -4.858 15.587 -20.049 1.00 10.14 H new ATOM 0 HG3 LYS A 48 -3.577 16.272 -21.029 1.00 10.14 H new ATOM 0 HD2 LYS A 48 -4.811 14.267 -22.632 1.00 24.34 H new ATOM 0 HD3 LYS A 48 -6.118 15.150 -21.867 1.00 24.34 H new ATOM 0 HE2 LYS A 48 -5.506 17.192 -22.851 1.00 30.03 H new ATOM 0 HE3 LYS A 48 -3.840 16.703 -23.086 1.00 30.03 H new ATOM 0 HZ1 LYS A 48 -5.043 16.748 -25.172 1.00 45.24 H new ATOM 0 HZ2 LYS A 48 -4.566 15.158 -24.813 1.00 45.24 H new ATOM 0 HZ3 LYS A 48 -6.180 15.632 -24.584 1.00 45.24 H new ATOM 782 N GLN A 49 -0.446 15.335 -21.894 1.00 12.41 N ATOM 783 CA GLN A 49 0.894 15.809 -21.570 1.00 65.25 C ATOM 784 C GLN A 49 0.959 16.323 -20.136 1.00 51.01 C ATOM 785 O GLN A 49 0.282 17.288 -19.781 1.00 14.45 O ATOM 786 CB GLN A 49 1.316 16.914 -22.540 1.00 72.15 C ATOM 787 CG GLN A 49 1.539 16.423 -23.962 1.00 4.22 C ATOM 788 CD GLN A 49 0.938 17.349 -25.000 1.00 54.23 C ATOM 789 OE1 GLN A 49 -0.014 16.988 -25.694 1.00 44.20 O ATOM 790 NE2 GLN A 49 1.490 18.552 -25.113 1.00 31.51 N ATOM 0 H GLN A 49 -0.943 15.909 -22.575 1.00 12.41 H new ATOM 0 HA GLN A 49 1.581 14.969 -21.666 1.00 65.25 H new ATOM 0 HB2 GLN A 49 0.551 17.690 -22.548 1.00 72.15 H new ATOM 0 HB3 GLN A 49 2.234 17.375 -22.175 1.00 72.15 H new ATOM 0 HG2 GLN A 49 2.609 16.325 -24.145 1.00 4.22 H new ATOM 0 HG3 GLN A 49 1.104 15.430 -24.072 1.00 4.22 H new ATOM 0 HE21 GLN A 49 2.277 18.810 -24.518 1.00 31.51 H new ATOM 0 HE22 GLN A 49 1.127 19.218 -25.795 1.00 31.51 H new ATOM 799 N LEU A 50 1.777 15.673 -19.316 1.00 32.40 N ATOM 800 CA LEU A 50 1.930 16.064 -17.919 1.00 33.21 C ATOM 801 C LEU A 50 2.646 17.406 -17.804 1.00 72.35 C ATOM 802 O LEU A 50 3.765 17.566 -18.291 1.00 34.20 O ATOM 803 CB LEU A 50 2.705 14.992 -17.151 1.00 33.04 C ATOM 804 CG LEU A 50 3.640 15.498 -16.052 1.00 11.03 C ATOM 805 CD1 LEU A 50 3.628 14.550 -14.862 1.00 41.24 C ATOM 806 CD2 LEU A 50 5.054 15.664 -16.589 1.00 53.44 C ATOM 0 H LEU A 50 2.345 14.873 -19.594 1.00 32.40 H new ATOM 0 HA LEU A 50 0.935 16.166 -17.485 1.00 33.21 H new ATOM 0 HB2 LEU A 50 1.988 14.305 -16.702 1.00 33.04 H new ATOM 0 HB3 LEU A 50 3.294 14.416 -17.865 1.00 33.04 H new ATOM 0 HG LEU A 50 3.283 16.472 -15.718 1.00 11.03 H new ATOM 0 HD11 LEU A 50 4.299 14.927 -14.090 1.00 41.24 H new ATOM 0 HD12 LEU A 50 2.617 14.482 -14.462 1.00 41.24 H new ATOM 0 HD13 LEU A 50 3.960 13.562 -15.181 1.00 41.24 H new ATOM 0 HD21 LEU A 50 5.705 16.025 -15.793 1.00 53.44 H new ATOM 0 HD22 LEU A 50 5.421 14.703 -16.951 1.00 53.44 H new ATOM 0 HD23 LEU A 50 5.050 16.383 -17.408 1.00 53.44 H new ATOM 818 N GLU A 51 1.993 18.366 -17.156 1.00 63.43 N ATOM 819 CA GLU A 51 2.569 19.693 -16.977 1.00 44.12 C ATOM 820 C GLU A 51 3.425 19.749 -15.715 1.00 13.23 C ATOM 821 O GLU A 51 3.090 19.141 -14.698 1.00 2.01 O ATOM 822 CB GLU A 51 1.463 20.748 -16.904 1.00 62.22 C ATOM 823 CG GLU A 51 1.546 21.794 -18.003 1.00 70.32 C ATOM 824 CD GLU A 51 0.581 21.522 -19.141 1.00 0.10 C ATOM 825 OE1 GLU A 51 -0.592 21.200 -18.859 1.00 14.42 O ATOM 826 OE2 GLU A 51 0.999 21.631 -20.313 1.00 34.23 O ATOM 0 H GLU A 51 1.066 18.249 -16.747 1.00 63.43 H new ATOM 0 HA GLU A 51 3.206 19.904 -17.836 1.00 44.12 H new ATOM 0 HB2 GLU A 51 0.494 20.251 -16.959 1.00 62.22 H new ATOM 0 HB3 GLU A 51 1.511 21.246 -15.936 1.00 62.22 H new ATOM 0 HG2 GLU A 51 1.336 22.777 -17.581 1.00 70.32 H new ATOM 0 HG3 GLU A 51 2.563 21.825 -18.394 1.00 70.32 H new ATOM 833 N ASP A 52 4.530 20.483 -15.788 1.00 71.43 N ATOM 834 CA ASP A 52 5.434 20.619 -14.652 1.00 51.22 C ATOM 835 C ASP A 52 4.757 21.364 -13.506 1.00 20.24 C ATOM 836 O ASP A 52 5.161 21.243 -12.350 1.00 15.33 O ATOM 837 CB ASP A 52 6.708 21.354 -15.072 1.00 52.03 C ATOM 838 CG ASP A 52 7.508 20.582 -16.103 1.00 2.21 C ATOM 839 OD1 ASP A 52 7.226 19.381 -16.295 1.00 11.21 O ATOM 840 OD2 ASP A 52 8.418 21.179 -16.717 1.00 15.00 O ATOM 0 H ASP A 52 4.821 20.993 -16.622 1.00 71.43 H new ATOM 0 HA ASP A 52 5.698 19.619 -14.307 1.00 51.22 H new ATOM 0 HB2 ASP A 52 6.444 22.330 -15.478 1.00 52.03 H new ATOM 0 HB3 ASP A 52 7.328 21.531 -14.193 1.00 52.03 H new ATOM 845 N GLY A 53 3.725 22.135 -13.835 1.00 2.22 N ATOM 846 CA GLY A 53 3.010 22.889 -12.822 1.00 13.01 C ATOM 847 C GLY A 53 1.847 22.113 -12.235 1.00 3.21 C ATOM 848 O GLY A 53 1.067 22.651 -11.449 1.00 23.12 O ATOM 0 H GLY A 53 3.371 22.251 -14.785 1.00 2.22 H new ATOM 0 HA2 GLY A 53 3.699 23.164 -12.024 1.00 13.01 H new ATOM 0 HA3 GLY A 53 2.641 23.817 -13.258 1.00 13.01 H new ATOM 852 N ARG A 54 1.730 20.846 -12.618 1.00 52.12 N ATOM 853 CA ARG A 54 0.652 19.996 -12.127 1.00 22.03 C ATOM 854 C ARG A 54 1.126 19.141 -10.955 1.00 13.01 C ATOM 855 O ARG A 54 2.317 18.862 -10.817 1.00 2.04 O ATOM 856 CB ARG A 54 0.130 19.097 -13.249 1.00 43.44 C ATOM 857 CG ARG A 54 -0.735 19.829 -14.262 1.00 72.14 C ATOM 858 CD ARG A 54 -2.209 19.747 -13.898 1.00 73.32 C ATOM 859 NE ARG A 54 -2.485 20.341 -12.593 1.00 5.21 N ATOM 860 CZ ARG A 54 -2.636 21.646 -12.397 1.00 2.22 C ATOM 861 NH1 ARG A 54 -2.539 22.489 -13.416 1.00 75.41 N ATOM 862 NH2 ARG A 54 -2.884 22.111 -11.179 1.00 55.01 N ATOM 0 H ARG A 54 2.368 20.385 -13.267 1.00 52.12 H new ATOM 0 HA ARG A 54 -0.156 20.641 -11.782 1.00 22.03 H new ATOM 0 HB2 ARG A 54 0.977 18.646 -13.766 1.00 43.44 H new ATOM 0 HB3 ARG A 54 -0.447 18.282 -12.812 1.00 43.44 H new ATOM 0 HG2 ARG A 54 -0.430 20.874 -14.315 1.00 72.14 H new ATOM 0 HG3 ARG A 54 -0.579 19.401 -15.252 1.00 72.14 H new ATOM 0 HD2 ARG A 54 -2.799 20.256 -14.660 1.00 73.32 H new ATOM 0 HD3 ARG A 54 -2.524 18.704 -13.895 1.00 73.32 H new ATOM 0 HE ARG A 54 -2.566 19.720 -11.788 1.00 5.21 H new ATOM 0 HH11 ARG A 54 -2.348 22.136 -14.354 1.00 75.41 H new ATOM 0 HH12 ARG A 54 -2.655 23.491 -13.262 1.00 75.41 H new ATOM 0 HH21 ARG A 54 -2.959 21.466 -10.392 1.00 55.01 H new ATOM 0 HH22 ARG A 54 -3.000 23.113 -11.030 1.00 55.01 H new ATOM 876 N THR A 55 0.184 18.728 -10.112 1.00 22.30 N ATOM 877 CA THR A 55 0.505 17.906 -8.952 1.00 15.35 C ATOM 878 C THR A 55 0.171 16.441 -9.206 1.00 60.22 C ATOM 879 O THR A 55 -0.689 16.123 -10.029 1.00 44.02 O ATOM 880 CB THR A 55 -0.254 18.383 -7.699 1.00 13.42 C ATOM 881 OG1 THR A 55 -0.477 19.796 -7.769 1.00 50.25 O ATOM 882 CG2 THR A 55 0.524 18.050 -6.435 1.00 41.30 C ATOM 0 H THR A 55 -0.807 18.949 -10.211 1.00 22.30 H new ATOM 0 HA THR A 55 1.577 18.007 -8.780 1.00 15.35 H new ATOM 0 HB THR A 55 -1.213 17.865 -7.664 1.00 13.42 H new ATOM 0 HG1 THR A 55 -0.961 20.091 -6.970 1.00 50.25 H new ATOM 0 HG21 THR A 55 -0.032 18.397 -5.564 1.00 41.30 H new ATOM 0 HG22 THR A 55 0.667 16.971 -6.369 1.00 41.30 H new ATOM 0 HG23 THR A 55 1.496 18.543 -6.465 1.00 41.30 H new ATOM 890 N LEU A 56 0.855 15.551 -8.495 1.00 41.25 N ATOM 891 CA LEU A 56 0.631 14.117 -8.644 1.00 54.41 C ATOM 892 C LEU A 56 -0.827 13.763 -8.368 1.00 71.04 C ATOM 893 O LEU A 56 -1.463 13.055 -9.150 1.00 24.05 O ATOM 894 CB LEU A 56 1.545 13.337 -7.698 1.00 12.33 C ATOM 895 CG LEU A 56 2.998 13.180 -8.147 1.00 30.55 C ATOM 896 CD1 LEU A 56 3.815 12.476 -7.074 1.00 34.31 C ATOM 897 CD2 LEU A 56 3.070 12.416 -9.461 1.00 43.41 C ATOM 0 H LEU A 56 1.569 15.797 -7.810 1.00 41.25 H new ATOM 0 HA LEU A 56 0.864 13.842 -9.673 1.00 54.41 H new ATOM 0 HB2 LEU A 56 1.537 13.832 -6.727 1.00 12.33 H new ATOM 0 HB3 LEU A 56 1.121 12.343 -7.553 1.00 12.33 H new ATOM 0 HG LEU A 56 3.420 14.173 -8.303 1.00 30.55 H new ATOM 0 HD11 LEU A 56 4.846 12.373 -7.411 1.00 34.31 H new ATOM 0 HD12 LEU A 56 3.790 13.062 -6.155 1.00 34.31 H new ATOM 0 HD13 LEU A 56 3.394 11.488 -6.886 1.00 34.31 H new ATOM 0 HD21 LEU A 56 4.112 12.314 -9.766 1.00 43.41 H new ATOM 0 HD22 LEU A 56 2.631 11.427 -9.331 1.00 43.41 H new ATOM 0 HD23 LEU A 56 2.519 12.960 -10.229 1.00 43.41 H new ATOM 909 N SER A 57 -1.351 14.262 -7.254 1.00 34.15 N ATOM 910 CA SER A 57 -2.734 13.996 -6.874 1.00 10.43 C ATOM 911 C SER A 57 -3.698 14.506 -7.941 1.00 60.40 C ATOM 912 O SER A 57 -4.764 13.929 -8.156 1.00 14.10 O ATOM 913 CB SER A 57 -3.051 14.654 -5.529 1.00 22.41 C ATOM 914 OG SER A 57 -4.449 14.803 -5.351 1.00 22.10 O ATOM 0 H SER A 57 -0.839 14.853 -6.598 1.00 34.15 H new ATOM 0 HA SER A 57 -2.858 12.917 -6.782 1.00 10.43 H new ATOM 0 HB2 SER A 57 -2.640 14.050 -4.720 1.00 22.41 H new ATOM 0 HB3 SER A 57 -2.568 15.630 -5.475 1.00 22.41 H new ATOM 0 HG SER A 57 -4.625 15.224 -4.484 1.00 22.10 H new ATOM 920 N ASP A 58 -3.315 15.589 -8.607 1.00 3.55 N ATOM 921 CA ASP A 58 -4.143 16.177 -9.653 1.00 14.34 C ATOM 922 C ASP A 58 -4.262 15.234 -10.846 1.00 12.41 C ATOM 923 O ASP A 58 -5.263 15.248 -11.564 1.00 4.04 O ATOM 924 CB ASP A 58 -3.560 17.518 -10.102 1.00 60.21 C ATOM 925 CG ASP A 58 -4.571 18.369 -10.845 1.00 43.03 C ATOM 926 OD1 ASP A 58 -4.675 18.222 -12.081 1.00 2.51 O ATOM 927 OD2 ASP A 58 -5.257 19.182 -10.191 1.00 41.54 O ATOM 0 H ASP A 58 -2.435 16.078 -8.441 1.00 3.55 H new ATOM 0 HA ASP A 58 -5.139 16.343 -9.243 1.00 14.34 H new ATOM 0 HB2 ASP A 58 -3.200 18.065 -9.230 1.00 60.21 H new ATOM 0 HB3 ASP A 58 -2.698 17.339 -10.744 1.00 60.21 H new ATOM 932 N TYR A 59 -3.235 14.418 -11.053 1.00 31.15 N ATOM 933 CA TYR A 59 -3.222 13.471 -12.161 1.00 75.11 C ATOM 934 C TYR A 59 -3.897 12.161 -11.766 1.00 61.41 C ATOM 935 O TYR A 59 -4.059 11.261 -12.589 1.00 31.42 O ATOM 936 CB TYR A 59 -1.786 13.202 -12.613 1.00 52.04 C ATOM 937 CG TYR A 59 -1.517 13.606 -14.045 1.00 44.13 C ATOM 938 CD1 TYR A 59 -1.788 12.738 -15.096 1.00 12.42 C ATOM 939 CD2 TYR A 59 -0.991 14.856 -14.347 1.00 41.45 C ATOM 940 CE1 TYR A 59 -1.543 13.103 -16.405 1.00 44.33 C ATOM 941 CE2 TYR A 59 -0.744 15.230 -15.654 1.00 45.32 C ATOM 942 CZ TYR A 59 -1.021 14.350 -16.679 1.00 45.24 C ATOM 943 OH TYR A 59 -0.776 14.718 -17.983 1.00 22.03 O ATOM 0 H TYR A 59 -2.400 14.393 -10.468 1.00 31.15 H new ATOM 0 HA TYR A 59 -3.779 13.911 -12.988 1.00 75.11 H new ATOM 0 HB2 TYR A 59 -1.101 13.740 -11.958 1.00 52.04 H new ATOM 0 HB3 TYR A 59 -1.570 12.140 -12.497 1.00 52.04 H new ATOM 0 HD1 TYR A 59 -2.197 11.761 -14.885 1.00 12.42 H new ATOM 0 HD2 TYR A 59 -0.771 15.547 -13.547 1.00 41.45 H new ATOM 0 HE1 TYR A 59 -1.759 12.416 -17.210 1.00 44.33 H new ATOM 0 HE2 TYR A 59 -0.336 16.206 -15.872 1.00 45.32 H new ATOM 0 HH TYR A 59 -0.689 13.915 -18.539 1.00 22.03 H new ATOM 953 N ASN A 60 -4.288 12.063 -10.500 1.00 33.43 N ATOM 954 CA ASN A 60 -4.945 10.863 -9.994 1.00 15.04 C ATOM 955 C ASN A 60 -4.033 9.647 -10.122 1.00 5.41 C ATOM 956 O ASN A 60 -4.496 8.535 -10.374 1.00 63.33 O ATOM 957 CB ASN A 60 -6.253 10.615 -10.749 1.00 43.11 C ATOM 958 CG ASN A 60 -7.462 10.636 -9.834 1.00 60.42 C ATOM 959 OD1 ASN A 60 -8.143 11.654 -9.710 1.00 24.25 O ATOM 960 ND2 ASN A 60 -7.735 9.508 -9.189 1.00 25.43 N ATOM 0 H ASN A 60 -4.162 12.799 -9.806 1.00 33.43 H new ATOM 0 HA ASN A 60 -5.166 11.019 -8.938 1.00 15.04 H new ATOM 0 HB2 ASN A 60 -6.373 11.374 -11.522 1.00 43.11 H new ATOM 0 HB3 ASN A 60 -6.200 9.651 -11.255 1.00 43.11 H new ATOM 0 HD21 ASN A 60 -8.537 9.461 -8.560 1.00 25.43 H new ATOM 0 HD22 ASN A 60 -7.143 8.688 -9.322 1.00 25.43 H new ATOM 967 N ILE A 61 -2.734 9.868 -9.946 1.00 12.33 N ATOM 968 CA ILE A 61 -1.757 8.791 -10.040 1.00 41.00 C ATOM 969 C ILE A 61 -1.849 7.858 -8.837 1.00 40.32 C ATOM 970 O ILE A 61 -1.291 8.141 -7.777 1.00 74.41 O ATOM 971 CB ILE A 61 -0.322 9.340 -10.141 1.00 4.32 C ATOM 972 CG1 ILE A 61 -0.118 10.054 -11.479 1.00 12.44 C ATOM 973 CG2 ILE A 61 0.689 8.215 -9.976 1.00 31.01 C ATOM 974 CD1 ILE A 61 0.751 11.289 -11.379 1.00 35.33 C ATOM 0 H ILE A 61 -2.335 10.783 -9.738 1.00 12.33 H new ATOM 0 HA ILE A 61 -1.989 8.233 -10.947 1.00 41.00 H new ATOM 0 HB ILE A 61 -0.168 10.061 -9.338 1.00 4.32 H new ATOM 0 HG12 ILE A 61 0.333 9.359 -12.187 1.00 12.44 H new ATOM 0 HG13 ILE A 61 -1.090 10.336 -11.883 1.00 12.44 H new ATOM 0 HG21 ILE A 61 1.699 8.619 -10.050 1.00 31.01 H new ATOM 0 HG22 ILE A 61 0.556 7.747 -9.001 1.00 31.01 H new ATOM 0 HG23 ILE A 61 0.538 7.472 -10.759 1.00 31.01 H new ATOM 0 HD11 ILE A 61 0.852 11.743 -12.365 1.00 35.33 H new ATOM 0 HD12 ILE A 61 0.291 12.003 -10.696 1.00 35.33 H new ATOM 0 HD13 ILE A 61 1.736 11.011 -11.005 1.00 35.33 H new ATOM 986 N GLN A 62 -2.555 6.746 -9.011 1.00 30.33 N ATOM 987 CA GLN A 62 -2.719 5.770 -7.939 1.00 42.51 C ATOM 988 C GLN A 62 -1.545 4.798 -7.904 1.00 25.10 C ATOM 989 O GLN A 62 -0.563 4.966 -8.629 1.00 34.25 O ATOM 990 CB GLN A 62 -4.029 5.001 -8.117 1.00 63.23 C ATOM 991 CG GLN A 62 -4.789 4.784 -6.819 1.00 5.34 C ATOM 992 CD GLN A 62 -6.167 5.415 -6.837 1.00 30.11 C ATOM 993 OE1 GLN A 62 -7.169 4.739 -7.073 1.00 64.33 O ATOM 994 NE2 GLN A 62 -6.226 6.718 -6.587 1.00 22.45 N ATOM 0 H GLN A 62 -3.022 6.498 -9.883 1.00 30.33 H new ATOM 0 HA GLN A 62 -2.749 6.309 -6.992 1.00 42.51 H new ATOM 0 HB2 GLN A 62 -4.667 5.543 -8.815 1.00 63.23 H new ATOM 0 HB3 GLN A 62 -3.813 4.032 -8.568 1.00 63.23 H new ATOM 0 HG2 GLN A 62 -4.886 3.714 -6.634 1.00 5.34 H new ATOM 0 HG3 GLN A 62 -4.214 5.200 -5.992 1.00 5.34 H new ATOM 0 HE21 GLN A 62 -5.371 7.240 -6.396 1.00 22.45 H new ATOM 0 HE22 GLN A 62 -7.127 7.197 -6.586 1.00 22.45 H new ATOM 1003 N LYS A 63 -1.651 3.780 -7.056 1.00 41.33 N ATOM 1004 CA LYS A 63 -0.599 2.779 -6.926 1.00 41.13 C ATOM 1005 C LYS A 63 -0.610 1.821 -8.113 1.00 34.42 C ATOM 1006 O LYS A 63 -1.670 1.489 -8.643 1.00 61.23 O ATOM 1007 CB LYS A 63 -0.770 1.996 -5.623 1.00 30.13 C ATOM 1008 CG LYS A 63 -2.126 1.324 -5.490 1.00 63.25 C ATOM 1009 CD LYS A 63 -2.885 1.834 -4.277 1.00 51.13 C ATOM 1010 CE LYS A 63 -4.142 1.017 -4.022 1.00 71.42 C ATOM 1011 NZ LYS A 63 -4.288 0.658 -2.584 1.00 53.12 N ATOM 0 H LYS A 63 -2.456 3.627 -6.448 1.00 41.33 H new ATOM 0 HA LYS A 63 0.360 3.296 -6.908 1.00 41.13 H new ATOM 0 HB2 LYS A 63 0.010 1.237 -5.560 1.00 30.13 H new ATOM 0 HB3 LYS A 63 -0.625 2.673 -4.781 1.00 30.13 H new ATOM 0 HG2 LYS A 63 -2.713 1.506 -6.390 1.00 63.25 H new ATOM 0 HG3 LYS A 63 -1.992 0.245 -5.409 1.00 63.25 H new ATOM 0 HD2 LYS A 63 -2.240 1.794 -3.399 1.00 51.13 H new ATOM 0 HD3 LYS A 63 -3.154 2.880 -4.428 1.00 51.13 H new ATOM 0 HE2 LYS A 63 -5.015 1.584 -4.345 1.00 71.42 H new ATOM 0 HE3 LYS A 63 -4.112 0.108 -4.622 1.00 71.42 H new ATOM 0 HZ1 LYS A 63 -5.157 0.102 -2.452 1.00 53.12 H new ATOM 0 HZ2 LYS A 63 -3.467 0.096 -2.282 1.00 53.12 H new ATOM 0 HZ3 LYS A 63 -4.342 1.526 -2.013 1.00 53.12 H new ATOM 1025 N GLU A 64 0.575 1.379 -8.522 1.00 73.35 N ATOM 1026 CA GLU A 64 0.699 0.458 -9.646 1.00 70.22 C ATOM 1027 C GLU A 64 0.513 1.189 -10.972 1.00 51.44 C ATOM 1028 O GLU A 64 0.099 0.596 -11.968 1.00 55.01 O ATOM 1029 CB GLU A 64 -0.327 -0.671 -9.525 1.00 52.24 C ATOM 1030 CG GLU A 64 0.095 -1.954 -10.220 1.00 62.41 C ATOM 1031 CD GLU A 64 0.741 -2.946 -9.272 1.00 14.14 C ATOM 1032 OE1 GLU A 64 1.119 -2.537 -8.154 1.00 15.23 O ATOM 1033 OE2 GLU A 64 0.868 -4.130 -9.647 1.00 21.03 O ATOM 0 H GLU A 64 1.462 1.643 -8.093 1.00 73.35 H new ATOM 0 HA GLU A 64 1.702 0.032 -9.624 1.00 70.22 H new ATOM 0 HB2 GLU A 64 -0.502 -0.880 -8.470 1.00 52.24 H new ATOM 0 HB3 GLU A 64 -1.275 -0.335 -9.945 1.00 52.24 H new ATOM 0 HG2 GLU A 64 -0.777 -2.415 -10.684 1.00 62.41 H new ATOM 0 HG3 GLU A 64 0.794 -1.716 -11.022 1.00 62.41 H new ATOM 1040 N SER A 65 0.822 2.482 -10.977 1.00 12.24 N ATOM 1041 CA SER A 65 0.685 3.297 -12.178 1.00 74.12 C ATOM 1042 C SER A 65 1.961 3.253 -13.013 1.00 73.52 C ATOM 1043 O SER A 65 3.069 3.290 -12.478 1.00 43.01 O ATOM 1044 CB SER A 65 0.356 4.744 -11.804 1.00 63.43 C ATOM 1045 OG SER A 65 -1.038 4.985 -11.876 1.00 33.14 O ATOM 0 H SER A 65 1.169 2.988 -10.162 1.00 12.24 H new ATOM 0 HA SER A 65 -0.132 2.889 -12.773 1.00 74.12 H new ATOM 0 HB2 SER A 65 0.713 4.952 -10.795 1.00 63.43 H new ATOM 0 HB3 SER A 65 0.881 5.425 -12.474 1.00 63.43 H new ATOM 0 HG SER A 65 -1.222 5.916 -11.631 1.00 33.14 H new ATOM 1051 N THR A 66 1.796 3.172 -14.330 1.00 44.21 N ATOM 1052 CA THR A 66 2.933 3.121 -15.241 1.00 3.45 C ATOM 1053 C THR A 66 2.935 4.318 -16.185 1.00 62.22 C ATOM 1054 O THR A 66 1.969 4.548 -16.914 1.00 64.34 O ATOM 1055 CB THR A 66 2.929 1.825 -16.072 1.00 64.13 C ATOM 1056 OG1 THR A 66 4.021 1.834 -16.999 1.00 1.02 O ATOM 1057 CG2 THR A 66 1.618 1.671 -16.828 1.00 31.44 C ATOM 0 H THR A 66 0.886 3.140 -14.789 1.00 44.21 H new ATOM 0 HA THR A 66 3.833 3.146 -14.626 1.00 3.45 H new ATOM 0 HB THR A 66 3.038 0.982 -15.390 1.00 64.13 H new ATOM 0 HG1 THR A 66 4.809 1.429 -16.580 1.00 1.02 H new ATOM 0 HG21 THR A 66 1.639 0.748 -17.408 1.00 31.44 H new ATOM 0 HG22 THR A 66 0.791 1.635 -16.119 1.00 31.44 H new ATOM 0 HG23 THR A 66 1.484 2.519 -17.500 1.00 31.44 H new ATOM 1065 N LEU A 67 4.025 5.077 -16.168 1.00 41.14 N ATOM 1066 CA LEU A 67 4.153 6.251 -17.025 1.00 60.10 C ATOM 1067 C LEU A 67 5.184 6.013 -18.124 1.00 12.30 C ATOM 1068 O LEU A 67 6.139 5.258 -17.941 1.00 3.22 O ATOM 1069 CB LEU A 67 4.549 7.472 -16.194 1.00 2.51 C ATOM 1070 CG LEU A 67 3.494 7.989 -15.215 1.00 41.33 C ATOM 1071 CD1 LEU A 67 3.663 7.334 -13.853 1.00 41.41 C ATOM 1072 CD2 LEU A 67 3.575 9.504 -15.095 1.00 2.15 C ATOM 0 H LEU A 67 4.833 4.901 -15.571 1.00 41.14 H new ATOM 0 HA LEU A 67 3.186 6.436 -17.493 1.00 60.10 H new ATOM 0 HB2 LEU A 67 5.449 7.226 -15.631 1.00 2.51 H new ATOM 0 HB3 LEU A 67 4.810 8.281 -16.876 1.00 2.51 H new ATOM 0 HG LEU A 67 2.509 7.727 -15.601 1.00 41.33 H new ATOM 0 HD11 LEU A 67 2.904 7.714 -13.170 1.00 41.41 H new ATOM 0 HD12 LEU A 67 3.554 6.254 -13.953 1.00 41.41 H new ATOM 0 HD13 LEU A 67 4.653 7.564 -13.459 1.00 41.41 H new ATOM 0 HD21 LEU A 67 2.817 9.855 -14.394 1.00 2.15 H new ATOM 0 HD22 LEU A 67 4.563 9.788 -14.733 1.00 2.15 H new ATOM 0 HD23 LEU A 67 3.403 9.956 -16.072 1.00 2.15 H new ATOM 1084 N HIS A 68 4.985 6.664 -19.266 1.00 11.43 N ATOM 1085 CA HIS A 68 5.899 6.526 -20.394 1.00 11.01 C ATOM 1086 C HIS A 68 7.044 7.528 -20.291 1.00 45.51 C ATOM 1087 O HIS A 68 6.843 8.679 -19.899 1.00 65.21 O ATOM 1088 CB HIS A 68 5.149 6.724 -21.712 1.00 24.21 C ATOM 1089 CG HIS A 68 4.398 5.509 -22.162 1.00 32.14 C ATOM 1090 ND1 HIS A 68 3.021 5.427 -22.146 1.00 24.34 N ATOM 1091 CD2 HIS A 68 4.838 4.323 -22.644 1.00 4.35 C ATOM 1092 CE1 HIS A 68 2.648 4.243 -22.597 1.00 20.54 C ATOM 1093 NE2 HIS A 68 3.732 3.554 -22.906 1.00 72.20 N ATOM 0 H HIS A 68 4.199 7.292 -19.434 1.00 11.43 H new ATOM 0 HA HIS A 68 6.317 5.520 -20.370 1.00 11.01 H new ATOM 0 HB2 HIS A 68 4.450 7.553 -21.602 1.00 24.21 H new ATOM 0 HB3 HIS A 68 5.861 7.008 -22.487 1.00 24.21 H new ATOM 0 HD2 HIS A 68 5.868 4.035 -22.794 1.00 4.35 H new ATOM 0 HE1 HIS A 68 1.630 3.897 -22.696 1.00 20.54 H new ATOM 0 HE2 HIS A 68 3.745 2.605 -23.279 1.00 72.20 H new ATOM 1101 N LEU A 69 8.246 7.085 -20.645 1.00 33.13 N ATOM 1102 CA LEU A 69 9.424 7.943 -20.592 1.00 23.14 C ATOM 1103 C LEU A 69 10.012 8.148 -21.984 1.00 55.23 C ATOM 1104 O LEU A 69 10.143 7.201 -22.760 1.00 53.31 O ATOM 1105 CB LEU A 69 10.480 7.337 -19.665 1.00 34.40 C ATOM 1106 CG LEU A 69 11.228 8.321 -18.766 1.00 23.24 C ATOM 1107 CD1 LEU A 69 11.735 9.504 -19.575 1.00 43.22 C ATOM 1108 CD2 LEU A 69 10.332 8.794 -17.630 1.00 61.33 C ATOM 0 H LEU A 69 8.430 6.136 -20.972 1.00 33.13 H new ATOM 0 HA LEU A 69 9.118 8.913 -20.200 1.00 23.14 H new ATOM 0 HB2 LEU A 69 9.995 6.594 -19.032 1.00 34.40 H new ATOM 0 HB3 LEU A 69 11.210 6.807 -20.277 1.00 34.40 H new ATOM 0 HG LEU A 69 12.087 7.807 -18.334 1.00 23.24 H new ATOM 0 HD11 LEU A 69 12.265 10.194 -18.918 1.00 43.22 H new ATOM 0 HD12 LEU A 69 12.413 9.150 -20.352 1.00 43.22 H new ATOM 0 HD13 LEU A 69 10.891 10.018 -20.036 1.00 43.22 H new ATOM 0 HD21 LEU A 69 10.882 9.494 -17.000 1.00 61.33 H new ATOM 0 HD22 LEU A 69 9.453 9.290 -18.042 1.00 61.33 H new ATOM 0 HD23 LEU A 69 10.019 7.938 -17.033 1.00 61.33 H new ATOM 1120 N VAL A 70 10.366 9.391 -22.294 1.00 53.44 N ATOM 1121 CA VAL A 70 10.943 9.721 -23.592 1.00 73.22 C ATOM 1122 C VAL A 70 12.330 10.333 -23.437 1.00 63.12 C ATOM 1123 O VAL A 70 12.612 11.020 -22.455 1.00 14.44 O ATOM 1124 CB VAL A 70 10.046 10.700 -24.373 1.00 30.11 C ATOM 1125 CG1 VAL A 70 10.663 11.028 -25.724 1.00 73.42 C ATOM 1126 CG2 VAL A 70 8.648 10.123 -24.541 1.00 44.12 C ATOM 0 H VAL A 70 10.263 10.186 -21.664 1.00 53.44 H new ATOM 0 HA VAL A 70 11.021 8.788 -24.150 1.00 73.22 H new ATOM 0 HB VAL A 70 9.966 11.626 -23.803 1.00 30.11 H new ATOM 0 HG11 VAL A 70 10.015 11.721 -26.261 1.00 73.42 H new ATOM 0 HG12 VAL A 70 11.641 11.486 -25.576 1.00 73.42 H new ATOM 0 HG13 VAL A 70 10.776 10.112 -26.304 1.00 73.42 H new ATOM 0 HG21 VAL A 70 8.028 10.828 -25.095 1.00 44.12 H new ATOM 0 HG22 VAL A 70 8.706 9.182 -25.089 1.00 44.12 H new ATOM 0 HG23 VAL A 70 8.207 9.945 -23.560 1.00 44.12 H new ATOM 1136 N LEU A 71 13.195 10.080 -24.413 1.00 71.54 N ATOM 1137 CA LEU A 71 14.555 10.606 -24.387 1.00 1.24 C ATOM 1138 C LEU A 71 14.789 11.570 -25.545 1.00 55.52 C ATOM 1139 O LEU A 71 14.191 11.430 -26.613 1.00 24.14 O ATOM 1140 CB LEU A 71 15.568 9.461 -24.449 1.00 54.31 C ATOM 1141 CG LEU A 71 15.752 8.658 -23.161 1.00 62.44 C ATOM 1142 CD1 LEU A 71 15.715 7.166 -23.454 1.00 21.44 C ATOM 1143 CD2 LEU A 71 17.058 9.037 -22.478 1.00 61.15 C ATOM 0 H LEU A 71 12.978 9.513 -25.233 1.00 71.54 H new ATOM 0 HA LEU A 71 14.689 11.151 -23.452 1.00 1.24 H new ATOM 0 HB2 LEU A 71 15.264 8.776 -25.240 1.00 54.31 H new ATOM 0 HB3 LEU A 71 16.535 9.873 -24.738 1.00 54.31 H new ATOM 0 HG LEU A 71 14.930 8.896 -22.486 1.00 62.44 H new ATOM 0 HD11 LEU A 71 15.848 6.610 -22.526 1.00 21.44 H new ATOM 0 HD12 LEU A 71 14.754 6.906 -23.899 1.00 21.44 H new ATOM 0 HD13 LEU A 71 16.517 6.911 -24.147 1.00 21.44 H new ATOM 0 HD21 LEU A 71 17.172 8.456 -21.563 1.00 61.15 H new ATOM 0 HD22 LEU A 71 17.893 8.828 -23.147 1.00 61.15 H new ATOM 0 HD23 LEU A 71 17.046 10.099 -22.234 1.00 61.15 H new ATOM 1155 N ARG A 72 15.662 12.548 -25.328 1.00 1.12 N ATOM 1156 CA ARG A 72 15.975 13.535 -26.354 1.00 43.11 C ATOM 1157 C ARG A 72 17.391 13.335 -26.887 1.00 71.42 C ATOM 1158 O ARG A 72 18.370 13.494 -26.156 1.00 55.45 O ATOM 1159 CB ARG A 72 15.826 14.950 -25.793 1.00 52.51 C ATOM 1160 CG ARG A 72 15.417 15.979 -26.835 1.00 73.42 C ATOM 1161 CD ARG A 72 13.936 15.877 -27.167 1.00 20.04 C ATOM 1162 NE ARG A 72 13.710 15.602 -28.583 1.00 32.00 N ATOM 1163 CZ ARG A 72 12.503 15.465 -29.121 1.00 42.24 C ATOM 1164 NH1 ARG A 72 11.420 15.578 -28.366 1.00 33.24 N ATOM 1165 NH2 ARG A 72 12.379 15.216 -30.419 1.00 34.33 N ATOM 0 H ARG A 72 16.165 12.678 -24.450 1.00 1.12 H new ATOM 0 HA ARG A 72 15.273 13.402 -27.177 1.00 43.11 H new ATOM 0 HB2 ARG A 72 15.084 14.939 -24.995 1.00 52.51 H new ATOM 0 HB3 ARG A 72 16.771 15.255 -25.345 1.00 52.51 H new ATOM 0 HG2 ARG A 72 15.640 16.980 -26.467 1.00 73.42 H new ATOM 0 HG3 ARG A 72 16.005 15.834 -27.741 1.00 73.42 H new ATOM 0 HD2 ARG A 72 13.484 15.087 -26.568 1.00 20.04 H new ATOM 0 HD3 ARG A 72 13.439 16.808 -26.895 1.00 20.04 H new ATOM 0 HE ARG A 72 14.523 15.510 -29.192 1.00 32.00 H new ATOM 0 HH11 ARG A 72 11.511 15.771 -27.369 1.00 33.24 H new ATOM 0 HH12 ARG A 72 10.495 15.472 -28.782 1.00 33.24 H new ATOM 0 HH21 ARG A 72 13.210 15.130 -31.003 1.00 34.33 H new ATOM 0 HH22 ARG A 72 11.452 15.111 -30.832 1.00 34.33 H new ATOM 1179 N LEU A 73 17.492 12.983 -28.164 1.00 41.44 N ATOM 1180 CA LEU A 73 18.788 12.760 -28.796 1.00 50.41 C ATOM 1181 C LEU A 73 19.410 14.079 -29.244 1.00 54.22 C ATOM 1182 O LEU A 73 18.702 15.047 -29.525 1.00 32.23 O ATOM 1183 CB LEU A 73 18.639 11.821 -29.994 1.00 35.20 C ATOM 1184 CG LEU A 73 19.286 10.443 -29.851 1.00 72.11 C ATOM 1185 CD1 LEU A 73 18.680 9.463 -30.844 1.00 44.23 C ATOM 1186 CD2 LEU A 73 20.792 10.539 -30.044 1.00 62.43 C ATOM 0 H LEU A 73 16.692 12.846 -28.782 1.00 41.44 H new ATOM 0 HA LEU A 73 19.448 12.299 -28.061 1.00 50.41 H new ATOM 0 HB2 LEU A 73 17.576 11.682 -30.192 1.00 35.20 H new ATOM 0 HB3 LEU A 73 19.065 12.311 -30.870 1.00 35.20 H new ATOM 0 HG LEU A 73 19.092 10.074 -28.844 1.00 72.11 H new ATOM 0 HD11 LEU A 73 19.153 8.488 -30.727 1.00 44.23 H new ATOM 0 HD12 LEU A 73 17.610 9.372 -30.658 1.00 44.23 H new ATOM 0 HD13 LEU A 73 18.843 9.826 -31.859 1.00 44.23 H new ATOM 0 HD21 LEU A 73 21.236 9.549 -29.939 1.00 62.43 H new ATOM 0 HD22 LEU A 73 21.007 10.929 -31.039 1.00 62.43 H new ATOM 0 HD23 LEU A 73 21.213 11.207 -29.293 1.00 62.43 H new ATOM 1198 N ARG A 74 20.737 14.109 -29.311 1.00 55.52 N ATOM 1199 CA ARG A 74 21.453 15.309 -29.727 1.00 4.14 C ATOM 1200 C ARG A 74 22.178 15.079 -31.050 1.00 31.24 C ATOM 1201 O ARG A 74 23.149 14.326 -31.115 1.00 33.14 O ATOM 1202 CB ARG A 74 22.456 15.728 -28.650 1.00 1.30 C ATOM 1203 CG ARG A 74 21.804 16.216 -27.367 1.00 34.54 C ATOM 1204 CD ARG A 74 22.766 16.147 -26.191 1.00 43.14 C ATOM 1205 NE ARG A 74 22.743 14.840 -25.540 1.00 43.04 N ATOM 1206 CZ ARG A 74 21.719 14.396 -24.820 1.00 64.43 C ATOM 1207 NH1 ARG A 74 20.640 15.149 -24.660 1.00 45.32 N ATOM 1208 NH2 ARG A 74 21.773 13.194 -24.259 1.00 3.40 N ATOM 0 H ARG A 74 21.338 13.317 -29.083 1.00 55.52 H new ATOM 0 HA ARG A 74 20.724 16.107 -29.866 1.00 4.14 H new ATOM 0 HB2 ARG A 74 23.103 14.882 -28.419 1.00 1.30 H new ATOM 0 HB3 ARG A 74 23.093 16.518 -29.047 1.00 1.30 H new ATOM 0 HG2 ARG A 74 21.462 17.243 -27.499 1.00 34.54 H new ATOM 0 HG3 ARG A 74 20.922 15.612 -27.153 1.00 34.54 H new ATOM 0 HD2 ARG A 74 23.777 16.362 -26.537 1.00 43.14 H new ATOM 0 HD3 ARG A 74 22.507 16.918 -25.465 1.00 43.14 H new ATOM 0 HE ARG A 74 23.558 14.235 -25.644 1.00 43.04 H new ATOM 0 HH11 ARG A 74 20.594 16.073 -25.090 1.00 45.32 H new ATOM 0 HH12 ARG A 74 19.855 14.805 -24.106 1.00 45.32 H new ATOM 0 HH21 ARG A 74 22.601 12.611 -24.381 1.00 3.40 H new ATOM 0 HH22 ARG A 74 20.986 12.853 -23.706 1.00 3.40 H new ATOM 1222 N GLY A 75 21.698 15.733 -32.103 1.00 70.22 N ATOM 1223 CA GLY A 75 22.311 15.586 -33.410 1.00 63.42 C ATOM 1224 C GLY A 75 21.340 15.065 -34.451 1.00 62.20 C ATOM 1225 O GLY A 75 20.927 13.907 -34.401 1.00 2.15 O ATOM 0 H GLY A 75 20.896 16.362 -32.074 1.00 70.22 H new ATOM 0 HA2 GLY A 75 22.704 16.550 -33.734 1.00 63.42 H new ATOM 0 HA3 GLY A 75 23.159 14.905 -33.336 1.00 63.42 H new ATOM 1229 N GLY A 76 20.973 15.923 -35.398 1.00 10.12 N ATOM 1230 CA GLY A 76 20.045 15.525 -36.440 1.00 42.34 C ATOM 1231 C GLY A 76 19.530 16.706 -37.240 1.00 25.21 C ATOM 1232 O GLY A 76 18.757 16.504 -38.175 1.00 12.34 O ATOM 0 H GLY A 76 21.302 16.886 -35.462 1.00 10.12 H new ATOM 0 HA2 GLY A 76 20.538 14.822 -37.112 1.00 42.34 H new ATOM 0 HA3 GLY A 76 19.202 14.999 -35.991 1.00 42.34 H new