USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 680 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 64 HIS : no HD1:sc=-0.00662 X(o=-0.27,f=-0.55) USER MOD Set 1.2: A 90 MET CE :methyl 149:sc= -0.262 (180deg=-1.19) USER MOD Single : A 1 ILE N :NH3+ -110:sc= 0.0297 (180deg=0) USER MOD Single : A 2 SER OG : rot 3:sc= 0.125 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 111:sc= 0.754 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00268) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 43 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.442 (180deg=-1.58) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.2 K(o=-2.2,f=-8.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0636 X(o=-0.064,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.032) USER MOD Single : A 81 HIS :FLIP no HE2:sc= -0.962 F(o=-1.9,f=-0.96) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 114:sc= -0.8 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.193 K(o=-0.19,f=-3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -18.022 15.200 3.438 1.00 0.00 N ATOM 2 CA ILE A 1 -16.918 15.021 2.511 1.00 0.00 C ATOM 3 C ILE A 1 -16.505 16.382 1.947 1.00 0.00 C ATOM 4 O ILE A 1 -17.355 17.228 1.673 1.00 0.00 O ATOM 5 CB ILE A 1 -17.282 13.994 1.437 1.00 0.00 C ATOM 6 CG1 ILE A 1 -16.026 13.434 0.766 1.00 0.00 C ATOM 7 CG2 ILE A 1 -18.259 14.587 0.420 1.00 0.00 C ATOM 8 CD1 ILE A 1 -16.124 11.917 0.598 1.00 0.00 C ATOM 0 H1 ILE A 1 -17.694 15.018 4.408 1.00 0.00 H new ATOM 0 H2 ILE A 1 -18.378 16.175 3.370 1.00 0.00 H new ATOM 0 H3 ILE A 1 -18.786 14.536 3.200 1.00 0.00 H new ATOM 0 HA ILE A 1 -16.049 14.613 3.027 1.00 0.00 H new ATOM 0 HB ILE A 1 -17.788 13.159 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -15.890 13.903 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -15.149 13.681 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -18.501 13.836 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -19.171 14.897 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -17.802 15.450 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -15.219 11.545 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -16.235 11.449 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -16.988 11.675 -0.021 1.00 0.00 H new ATOM 20 N SER A 2 -15.201 16.550 1.788 1.00 0.00 N ATOM 21 CA SER A 2 -14.665 17.794 1.261 1.00 0.00 C ATOM 22 C SER A 2 -13.352 17.527 0.523 1.00 0.00 C ATOM 23 O SER A 2 -12.743 16.471 0.694 1.00 0.00 O ATOM 24 CB SER A 2 -14.449 18.817 2.377 1.00 0.00 C ATOM 25 OG SER A 2 -15.680 19.261 2.941 1.00 0.00 O ATOM 0 H SER A 2 -14.499 15.845 2.015 1.00 0.00 H new ATOM 0 HA SER A 2 -15.390 18.209 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.831 18.375 3.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.901 19.673 1.983 1.00 0.00 H new ATOM 0 HG SER A 2 -16.424 18.783 2.519 1.00 0.00 H new ATOM 31 N GLU A 3 -12.953 18.501 -0.281 1.00 0.00 N ATOM 32 CA GLU A 3 -11.723 18.385 -1.045 1.00 0.00 C ATOM 33 C GLU A 3 -10.783 19.548 -0.720 1.00 0.00 C ATOM 34 O GLU A 3 -10.800 20.573 -1.399 1.00 0.00 O ATOM 35 CB GLU A 3 -12.014 18.318 -2.546 1.00 0.00 C ATOM 36 CG GLU A 3 -12.361 16.891 -2.974 1.00 0.00 C ATOM 37 CD GLU A 3 -13.104 16.886 -4.311 1.00 0.00 C ATOM 38 OE1 GLU A 3 -12.510 17.381 -5.293 1.00 0.00 O ATOM 39 OE2 GLU A 3 -14.250 16.387 -4.321 1.00 0.00 O ATOM 0 H GLU A 3 -13.460 19.375 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.229 17.455 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.840 18.986 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.146 18.668 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.449 16.301 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.977 16.418 -2.210 1.00 0.00 H new ATOM 46 N PHE A 4 -9.986 19.350 0.320 1.00 0.00 N ATOM 47 CA PHE A 4 -9.042 20.370 0.744 1.00 0.00 C ATOM 48 C PHE A 4 -8.180 19.870 1.905 1.00 0.00 C ATOM 49 O PHE A 4 -6.953 19.944 1.848 1.00 0.00 O ATOM 50 CB PHE A 4 -9.863 21.572 1.215 1.00 0.00 C ATOM 51 CG PHE A 4 -9.387 22.911 0.648 1.00 0.00 C ATOM 52 CD1 PHE A 4 -8.118 23.338 0.886 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.233 23.674 -0.095 1.00 0.00 C ATOM 54 CE1 PHE A 4 -7.677 24.581 0.360 1.00 0.00 C ATOM 55 CE2 PHE A 4 -9.792 24.917 -0.621 1.00 0.00 C ATOM 56 CZ PHE A 4 -8.523 25.344 -0.383 1.00 0.00 C ATOM 0 H PHE A 4 -9.975 18.498 0.881 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.379 20.629 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.905 21.420 0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.830 21.618 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.446 22.732 1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.240 23.334 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.670 24.921 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.464 25.523 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.187 26.289 -0.784 1.00 0.00 H new ATOM 66 N ALA A 5 -8.855 19.372 2.930 1.00 0.00 N ATOM 67 CA ALA A 5 -8.166 18.861 4.103 1.00 0.00 C ATOM 68 C ALA A 5 -7.003 17.972 3.658 1.00 0.00 C ATOM 69 O ALA A 5 -6.919 17.591 2.491 1.00 0.00 O ATOM 70 CB ALA A 5 -9.161 18.116 4.995 1.00 0.00 C ATOM 0 H ALA A 5 -9.872 19.311 2.973 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.750 19.679 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.644 17.733 5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.952 18.798 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.597 17.286 4.439 1.00 0.00 H new ATOM 76 N PRO A 6 -6.112 17.659 4.636 1.00 0.00 N ATOM 77 CA PRO A 6 -4.958 16.822 4.358 1.00 0.00 C ATOM 78 C PRO A 6 -5.366 15.355 4.213 1.00 0.00 C ATOM 79 O PRO A 6 -5.955 14.777 5.125 1.00 0.00 O ATOM 80 CB PRO A 6 -4.008 17.062 5.520 1.00 0.00 C ATOM 81 CG PRO A 6 -4.853 17.660 6.632 1.00 0.00 C ATOM 82 CD PRO A 6 -6.180 18.092 6.029 1.00 0.00 C ATOM 0 HA PRO A 6 -4.478 17.069 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.541 16.131 5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.204 17.739 5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.014 16.929 7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.343 18.512 7.083 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.020 17.629 6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.316 19.171 6.102 1.00 0.00 H new ATOM 90 N VAL A 7 -5.038 14.793 3.058 1.00 0.00 N ATOM 91 CA VAL A 7 -5.363 13.404 2.782 1.00 0.00 C ATOM 92 C VAL A 7 -4.382 12.497 3.527 1.00 0.00 C ATOM 93 O VAL A 7 -3.320 12.945 3.956 1.00 0.00 O ATOM 94 CB VAL A 7 -5.374 13.160 1.272 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.573 11.675 0.958 1.00 0.00 C ATOM 96 CG2 VAL A 7 -6.443 14.013 0.586 1.00 0.00 C ATOM 0 H VAL A 7 -4.550 15.275 2.303 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.363 13.167 3.144 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.403 13.459 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.577 11.529 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.761 11.098 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.523 11.340 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.429 13.820 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.424 13.759 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.238 15.068 0.768 1.00 0.00 H new ATOM 106 N ASP A 8 -4.774 11.238 3.660 1.00 0.00 N ATOM 107 CA ASP A 8 -3.942 10.264 4.346 1.00 0.00 C ATOM 108 C ASP A 8 -4.005 8.930 3.599 1.00 0.00 C ATOM 109 O ASP A 8 -5.022 8.602 2.991 1.00 0.00 O ATOM 110 CB ASP A 8 -4.434 10.029 5.775 1.00 0.00 C ATOM 111 CG ASP A 8 -5.924 9.707 5.901 1.00 0.00 C ATOM 112 OD1 ASP A 8 -6.727 10.537 5.423 1.00 0.00 O ATOM 113 OD2 ASP A 8 -6.227 8.637 6.473 1.00 0.00 O ATOM 0 H ASP A 8 -5.656 10.870 3.304 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.923 10.651 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.862 9.209 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.218 10.918 6.368 1.00 0.00 H new ATOM 118 N CYS A 9 -2.903 8.197 3.669 1.00 0.00 N ATOM 119 CA CYS A 9 -2.820 6.906 3.008 1.00 0.00 C ATOM 120 C CYS A 9 -3.070 5.815 4.050 1.00 0.00 C ATOM 121 O CYS A 9 -3.745 6.050 5.051 1.00 0.00 O ATOM 122 CB CYS A 9 -1.478 6.720 2.297 1.00 0.00 C ATOM 123 SG CYS A 9 -0.894 8.183 1.366 1.00 0.00 S ATOM 0 H CYS A 9 -2.060 8.473 4.173 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.581 6.844 2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.724 6.454 3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.561 5.878 1.609 1.00 0.00 H new ATOM 128 N LYS A 10 -2.512 4.644 3.780 1.00 0.00 N ATOM 129 CA LYS A 10 -2.666 3.515 4.682 1.00 0.00 C ATOM 130 C LYS A 10 -4.147 3.141 4.777 1.00 0.00 C ATOM 131 O LYS A 10 -4.601 2.216 4.106 1.00 0.00 O ATOM 132 CB LYS A 10 -2.022 3.820 6.036 1.00 0.00 C ATOM 133 CG LYS A 10 -2.242 2.669 7.020 1.00 0.00 C ATOM 134 CD LYS A 10 -1.259 2.752 8.190 1.00 0.00 C ATOM 135 CE LYS A 10 -1.968 2.491 9.520 1.00 0.00 C ATOM 136 NZ LYS A 10 -1.589 3.515 10.519 1.00 0.00 N ATOM 0 H LYS A 10 -1.952 4.452 2.949 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.141 2.643 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.954 3.991 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.444 4.738 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.264 2.698 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.119 1.717 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.460 2.024 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.793 3.737 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.048 2.501 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.707 1.499 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.079 3.323 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.561 3.486 10.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.860 4.457 10.171 1.00 0.00 H new ATOM 150 N GLY A 11 -4.859 3.880 5.615 1.00 0.00 N ATOM 151 CA GLY A 11 -6.279 3.638 5.806 1.00 0.00 C ATOM 152 C GLY A 11 -7.049 3.835 4.498 1.00 0.00 C ATOM 153 O GLY A 11 -8.109 3.243 4.303 1.00 0.00 O ATOM 0 H GLY A 11 -4.479 4.647 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.433 2.623 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.668 4.315 6.567 1.00 0.00 H new ATOM 157 N GLN A 12 -6.485 4.669 3.637 1.00 0.00 N ATOM 158 CA GLN A 12 -7.106 4.952 2.354 1.00 0.00 C ATOM 159 C GLN A 12 -6.556 4.011 1.280 1.00 0.00 C ATOM 160 O GLN A 12 -6.081 4.462 0.238 1.00 0.00 O ATOM 161 CB GLN A 12 -6.903 6.415 1.957 1.00 0.00 C ATOM 162 CG GLN A 12 -7.763 6.780 0.745 1.00 0.00 C ATOM 163 CD GLN A 12 -9.094 7.396 1.183 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.110 6.731 1.291 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.030 8.702 1.428 1.00 0.00 N ATOM 0 H GLN A 12 -5.605 5.158 3.802 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.179 4.781 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.158 7.062 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.852 6.591 1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.224 7.483 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.950 5.889 0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.146 9.199 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.865 9.206 1.726 1.00 0.00 H new ATOM 174 N CYS A 13 -6.639 2.721 1.569 1.00 0.00 N ATOM 175 CA CYS A 13 -6.155 1.713 0.641 1.00 0.00 C ATOM 176 C CYS A 13 -6.841 0.386 0.973 1.00 0.00 C ATOM 177 O CYS A 13 -6.177 -0.593 1.309 1.00 0.00 O ATOM 178 CB CYS A 13 -4.631 1.593 0.680 1.00 0.00 C ATOM 179 SG CYS A 13 -3.732 2.964 -0.132 1.00 0.00 S ATOM 0 H CYS A 13 -7.034 2.350 2.433 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.404 2.005 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.312 1.534 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.342 0.656 0.204 1.00 0.00 H new ATOM 184 N THR A 14 -8.162 0.397 0.867 1.00 0.00 N ATOM 185 CA THR A 14 -8.945 -0.794 1.152 1.00 0.00 C ATOM 186 C THR A 14 -9.324 -1.506 -0.148 1.00 0.00 C ATOM 187 O THR A 14 -9.156 -2.719 -0.267 1.00 0.00 O ATOM 188 CB THR A 14 -10.154 -0.375 1.990 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.630 -0.228 3.307 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.190 -1.494 2.124 1.00 0.00 C ATOM 0 H THR A 14 -8.710 1.211 0.588 1.00 0.00 H new ATOM 0 HA THR A 14 -8.368 -1.519 1.727 1.00 0.00 H new ATOM 0 HB THR A 14 -10.621 0.501 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.348 0.044 3.916 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.027 -1.144 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.549 -1.777 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.732 -2.358 2.605 1.00 0.00 H new ATOM 198 N THR A 15 -9.827 -0.722 -1.090 1.00 0.00 N ATOM 199 CA THR A 15 -10.231 -1.263 -2.377 1.00 0.00 C ATOM 200 C THR A 15 -9.048 -1.951 -3.062 1.00 0.00 C ATOM 201 O THR A 15 -9.180 -3.065 -3.565 1.00 0.00 O ATOM 202 CB THR A 15 -10.832 -0.123 -3.201 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.238 -0.346 -3.131 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.509 -0.245 -4.692 1.00 0.00 C ATOM 0 H THR A 15 -9.964 0.284 -0.988 1.00 0.00 H new ATOM 0 HA THR A 15 -10.992 -2.035 -2.261 1.00 0.00 H new ATOM 0 HB THR A 15 -10.460 0.830 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.705 0.350 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.959 0.589 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.428 -0.227 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.909 -1.183 -5.075 1.00 0.00 H new ATOM 212 N PRO A 16 -7.890 -1.239 -3.058 1.00 0.00 N ATOM 213 CA PRO A 16 -6.684 -1.768 -3.673 1.00 0.00 C ATOM 214 C PRO A 16 -6.058 -2.858 -2.801 1.00 0.00 C ATOM 215 O PRO A 16 -5.149 -3.563 -3.239 1.00 0.00 O ATOM 216 CB PRO A 16 -5.777 -0.563 -3.861 1.00 0.00 C ATOM 217 CG PRO A 16 -6.312 0.511 -2.929 1.00 0.00 C ATOM 218 CD PRO A 16 -7.697 0.084 -2.472 1.00 0.00 C ATOM 0 HA PRO A 16 -6.878 -2.256 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.743 -0.811 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.789 -0.223 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.650 0.638 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.358 1.472 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.762 0.048 -1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.460 0.784 -2.814 1.00 0.00 H new ATOM 226 N CYS A 17 -6.567 -2.962 -1.583 1.00 0.00 N ATOM 227 CA CYS A 17 -6.069 -3.954 -0.645 1.00 0.00 C ATOM 228 C CYS A 17 -7.245 -4.824 -0.196 1.00 0.00 C ATOM 229 O CYS A 17 -7.223 -5.387 0.897 1.00 0.00 O ATOM 230 CB CYS A 17 -5.355 -3.304 0.541 1.00 0.00 C ATOM 231 SG CYS A 17 -4.020 -2.137 0.087 1.00 0.00 S ATOM 0 H CYS A 17 -7.320 -2.375 -1.223 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.322 -4.579 -1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.092 -2.774 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.934 -4.089 1.169 1.00 0.00 H new ATOM 236 N GLU A 18 -8.243 -4.907 -1.063 1.00 0.00 N ATOM 237 CA GLU A 18 -9.425 -5.699 -0.770 1.00 0.00 C ATOM 238 C GLU A 18 -9.118 -7.190 -0.924 1.00 0.00 C ATOM 239 O GLU A 18 -9.288 -7.964 0.017 1.00 0.00 O ATOM 240 CB GLU A 18 -10.598 -5.286 -1.662 1.00 0.00 C ATOM 241 CG GLU A 18 -11.740 -4.700 -0.829 1.00 0.00 C ATOM 242 CD GLU A 18 -13.029 -4.617 -1.649 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.708 -5.662 -1.746 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.306 -3.510 -2.161 1.00 0.00 O ATOM 0 H GLU A 18 -8.257 -4.439 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.715 -5.513 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.262 -4.551 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.957 -6.150 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.905 -5.318 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.465 -3.706 -0.476 1.00 0.00 H new ATOM 251 N PRO A 19 -8.658 -7.558 -2.150 1.00 0.00 N ATOM 252 CA PRO A 19 -8.324 -8.942 -2.440 1.00 0.00 C ATOM 253 C PRO A 19 -6.998 -9.336 -1.786 1.00 0.00 C ATOM 254 O PRO A 19 -6.786 -10.502 -1.457 1.00 0.00 O ATOM 255 CB PRO A 19 -8.287 -9.028 -3.957 1.00 0.00 C ATOM 256 CG PRO A 19 -8.141 -7.598 -4.452 1.00 0.00 C ATOM 257 CD PRO A 19 -8.443 -6.669 -3.288 1.00 0.00 C ATOM 0 HA PRO A 19 -9.051 -9.644 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.453 -9.645 -4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.198 -9.484 -4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.132 -7.425 -4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.825 -7.409 -5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.616 -5.983 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.325 -6.059 -3.486 1.00 0.00 H new ATOM 265 N LEU A 20 -6.140 -8.340 -1.618 1.00 0.00 N ATOM 266 CA LEU A 20 -4.841 -8.568 -1.009 1.00 0.00 C ATOM 267 C LEU A 20 -5.029 -8.924 0.467 1.00 0.00 C ATOM 268 O LEU A 20 -4.578 -9.976 0.917 1.00 0.00 O ATOM 269 CB LEU A 20 -3.923 -7.365 -1.239 1.00 0.00 C ATOM 270 CG LEU A 20 -2.749 -7.222 -0.269 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.151 -6.408 0.962 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.180 -8.591 0.109 1.00 0.00 C ATOM 0 H LEU A 20 -6.319 -7.374 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.343 -9.415 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.526 -7.425 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.525 -6.458 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.955 -6.672 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.298 -6.321 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.471 -5.413 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.971 -6.908 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.347 -8.461 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.957 -9.189 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.831 -9.100 -0.789 1.00 0.00 H new ATOM 284 N THR A 21 -5.695 -8.027 1.179 1.00 0.00 N ATOM 285 CA THR A 21 -5.948 -8.233 2.595 1.00 0.00 C ATOM 286 C THR A 21 -6.626 -9.586 2.823 1.00 0.00 C ATOM 287 O THR A 21 -6.186 -10.371 3.662 1.00 0.00 O ATOM 288 CB THR A 21 -6.769 -7.048 3.106 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.845 -5.963 3.113 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.172 -7.204 4.574 1.00 0.00 C ATOM 0 H THR A 21 -6.067 -7.156 0.802 1.00 0.00 H new ATOM 0 HA THR A 21 -5.018 -8.270 3.162 1.00 0.00 H new ATOM 0 HB THR A 21 -7.664 -6.936 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.089 -5.321 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.753 -6.336 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.774 -8.105 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.277 -7.282 5.191 1.00 0.00 H new ATOM 298 N ALA A 22 -7.686 -9.816 2.063 1.00 0.00 N ATOM 299 CA ALA A 22 -8.429 -11.060 2.172 1.00 0.00 C ATOM 300 C ALA A 22 -7.459 -12.239 2.075 1.00 0.00 C ATOM 301 O ALA A 22 -7.554 -13.191 2.849 1.00 0.00 O ATOM 302 CB ALA A 22 -9.511 -11.105 1.091 1.00 0.00 C ATOM 0 H ALA A 22 -8.048 -9.162 1.369 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.930 -11.124 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.068 -12.038 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.191 -10.263 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.045 -11.046 0.107 1.00 0.00 H new ATOM 308 N CYS A 23 -6.548 -12.137 1.119 1.00 0.00 N ATOM 309 CA CYS A 23 -5.561 -13.183 0.911 1.00 0.00 C ATOM 310 C CYS A 23 -4.799 -13.392 2.221 1.00 0.00 C ATOM 311 O CYS A 23 -4.593 -14.526 2.650 1.00 0.00 O ATOM 312 CB CYS A 23 -4.621 -12.852 -0.250 1.00 0.00 C ATOM 313 SG CYS A 23 -3.971 -14.306 -1.150 1.00 0.00 S ATOM 0 H CYS A 23 -6.472 -11.346 0.480 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.063 -14.109 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.150 -12.212 -0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.780 -12.275 0.135 1.00 0.00 H new ATOM 318 N LYS A 24 -4.400 -12.279 2.820 1.00 0.00 N ATOM 319 CA LYS A 24 -3.665 -12.326 4.072 1.00 0.00 C ATOM 320 C LYS A 24 -4.547 -12.952 5.154 1.00 0.00 C ATOM 321 O LYS A 24 -4.109 -13.845 5.878 1.00 0.00 O ATOM 322 CB LYS A 24 -3.138 -10.936 4.436 1.00 0.00 C ATOM 323 CG LYS A 24 -1.656 -10.800 4.080 1.00 0.00 C ATOM 324 CD LYS A 24 -1.366 -9.436 3.453 1.00 0.00 C ATOM 325 CE LYS A 24 -0.725 -8.490 4.470 1.00 0.00 C ATOM 326 NZ LYS A 24 -1.752 -7.933 5.379 1.00 0.00 N ATOM 0 H LYS A 24 -4.572 -11.340 2.461 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.784 -12.960 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.714 -10.175 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.277 -10.758 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.050 -10.928 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.371 -11.591 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.703 -9.559 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.292 -9.000 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.029 -9.025 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.213 -7.680 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.300 -7.293 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.457 -7.406 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.222 -8.708 5.889 1.00 0.00 H new ATOM 340 N GLU A 25 -5.775 -12.459 5.230 1.00 0.00 N ATOM 341 CA GLU A 25 -6.723 -12.958 6.211 1.00 0.00 C ATOM 342 C GLU A 25 -6.844 -14.480 6.104 1.00 0.00 C ATOM 343 O GLU A 25 -6.457 -15.203 7.021 1.00 0.00 O ATOM 344 CB GLU A 25 -8.087 -12.287 6.047 1.00 0.00 C ATOM 345 CG GLU A 25 -8.475 -11.517 7.310 1.00 0.00 C ATOM 346 CD GLU A 25 -9.386 -12.358 8.207 1.00 0.00 C ATOM 347 OE1 GLU A 25 -9.046 -13.543 8.408 1.00 0.00 O ATOM 348 OE2 GLU A 25 -10.402 -11.795 8.671 1.00 0.00 O ATOM 0 H GLU A 25 -6.135 -11.719 4.628 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.351 -12.711 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.062 -11.607 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.843 -13.041 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.576 -11.236 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.983 -10.592 7.035 1.00 0.00 H new ATOM 355 N LYS A 26 -7.383 -14.921 4.977 1.00 0.00 N ATOM 356 CA LYS A 26 -7.560 -16.344 4.739 1.00 0.00 C ATOM 357 C LYS A 26 -6.341 -17.101 5.269 1.00 0.00 C ATOM 358 O LYS A 26 -6.482 -18.145 5.904 1.00 0.00 O ATOM 359 CB LYS A 26 -7.853 -16.607 3.261 1.00 0.00 C ATOM 360 CG LYS A 26 -8.714 -17.860 3.087 1.00 0.00 C ATOM 361 CD LYS A 26 -9.726 -17.677 1.954 1.00 0.00 C ATOM 362 CE LYS A 26 -9.466 -18.672 0.821 1.00 0.00 C ATOM 363 NZ LYS A 26 -9.424 -17.974 -0.483 1.00 0.00 N ATOM 0 H LYS A 26 -7.703 -14.319 4.219 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.428 -16.717 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.365 -15.747 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.916 -16.727 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.076 -18.718 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.239 -18.077 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.737 -17.814 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.667 -16.659 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.522 -19.190 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.248 -19.431 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.247 -18.664 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.334 -17.500 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.662 -17.267 -0.474 1.00 0.00 H new ATOM 377 N CYS A 27 -5.172 -16.545 4.989 1.00 0.00 N ATOM 378 CA CYS A 27 -3.929 -17.155 5.430 1.00 0.00 C ATOM 379 C CYS A 27 -3.912 -17.160 6.960 1.00 0.00 C ATOM 380 O CYS A 27 -3.833 -18.219 7.580 1.00 0.00 O ATOM 381 CB CYS A 27 -2.709 -16.437 4.848 1.00 0.00 C ATOM 382 SG CYS A 27 -2.604 -16.461 3.021 1.00 0.00 S ATOM 0 H CYS A 27 -5.059 -15.679 4.462 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.874 -18.180 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.721 -15.400 5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.807 -16.894 5.256 1.00 0.00 H new ATOM 387 N ALA A 28 -3.987 -15.964 7.525 1.00 0.00 N ATOM 388 CA ALA A 28 -3.982 -15.817 8.970 1.00 0.00 C ATOM 389 C ALA A 28 -4.860 -16.904 9.592 1.00 0.00 C ATOM 390 O ALA A 28 -4.401 -17.669 10.439 1.00 0.00 O ATOM 391 CB ALA A 28 -4.448 -14.408 9.342 1.00 0.00 C ATOM 0 H ALA A 28 -4.052 -15.087 7.008 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.974 -15.942 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.444 -14.298 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.774 -13.674 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.458 -14.247 8.965 1.00 0.00 H new ATOM 397 N GLU A 29 -6.108 -16.938 9.148 1.00 0.00 N ATOM 398 CA GLU A 29 -7.055 -17.919 9.651 1.00 0.00 C ATOM 399 C GLU A 29 -6.474 -19.329 9.528 1.00 0.00 C ATOM 400 O GLU A 29 -6.661 -20.161 10.415 1.00 0.00 O ATOM 401 CB GLU A 29 -8.395 -17.812 8.920 1.00 0.00 C ATOM 402 CG GLU A 29 -9.210 -16.626 9.439 1.00 0.00 C ATOM 403 CD GLU A 29 -10.090 -17.041 10.621 1.00 0.00 C ATOM 404 OE1 GLU A 29 -11.045 -17.809 10.375 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.787 -16.580 11.743 1.00 0.00 O ATOM 0 H GLU A 29 -6.485 -16.302 8.445 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.237 -17.713 10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.221 -17.698 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.961 -18.734 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.538 -15.824 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.834 -16.230 8.638 1.00 0.00 H new ATOM 412 N SER A 30 -5.780 -19.554 8.422 1.00 0.00 N ATOM 413 CA SER A 30 -5.171 -20.849 8.172 1.00 0.00 C ATOM 414 C SER A 30 -3.750 -20.877 8.738 1.00 0.00 C ATOM 415 O SER A 30 -2.932 -21.701 8.332 1.00 0.00 O ATOM 416 CB SER A 30 -5.152 -21.169 6.676 1.00 0.00 C ATOM 417 OG SER A 30 -5.950 -22.308 6.363 1.00 0.00 O ATOM 0 H SER A 30 -5.626 -18.861 7.689 1.00 0.00 H new ATOM 0 HA SER A 30 -5.770 -21.610 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.515 -20.307 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.125 -21.347 6.356 1.00 0.00 H new ATOM 0 HG SER A 30 -5.913 -22.478 5.399 1.00 0.00 H new ATOM 423 N CYS A 31 -3.499 -19.966 9.667 1.00 0.00 N ATOM 424 CA CYS A 31 -2.191 -19.876 10.293 1.00 0.00 C ATOM 425 C CYS A 31 -2.381 -19.397 11.734 1.00 0.00 C ATOM 426 O CYS A 31 -1.596 -18.590 12.232 1.00 0.00 O ATOM 427 CB CYS A 31 -1.250 -18.962 9.507 1.00 0.00 C ATOM 428 SG CYS A 31 -1.202 -19.276 7.705 1.00 0.00 S ATOM 0 H CYS A 31 -4.180 -19.284 10.001 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.718 -20.858 10.297 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.549 -17.927 9.673 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.242 -19.071 9.907 1.00 0.00 H new ATOM 433 N GLU A 32 -3.425 -19.914 12.363 1.00 0.00 N ATOM 434 CA GLU A 32 -3.727 -19.549 13.737 1.00 0.00 C ATOM 435 C GLU A 32 -3.345 -20.688 14.685 1.00 0.00 C ATOM 436 O GLU A 32 -3.923 -21.772 14.623 1.00 0.00 O ATOM 437 CB GLU A 32 -5.203 -19.177 13.893 1.00 0.00 C ATOM 438 CG GLU A 32 -5.465 -17.752 13.402 1.00 0.00 C ATOM 439 CD GLU A 32 -6.481 -17.040 14.298 1.00 0.00 C ATOM 440 OE1 GLU A 32 -6.032 -16.437 15.297 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.683 -17.116 13.964 1.00 0.00 O ATOM 0 H GLU A 32 -4.073 -20.583 11.947 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.135 -18.672 13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.820 -19.878 13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.495 -19.264 14.940 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.531 -17.191 13.389 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.835 -17.779 12.377 1.00 0.00 H new ATOM 448 N THR A 33 -2.375 -20.402 15.540 1.00 0.00 N ATOM 449 CA THR A 33 -1.909 -21.389 16.500 1.00 0.00 C ATOM 450 C THR A 33 -0.827 -22.271 15.875 1.00 0.00 C ATOM 451 O THR A 33 -0.021 -22.870 16.586 1.00 0.00 O ATOM 452 CB THR A 33 -3.123 -22.176 16.996 1.00 0.00 C ATOM 453 OG1 THR A 33 -2.834 -22.434 18.367 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.216 -23.568 16.367 1.00 0.00 C ATOM 0 H THR A 33 -1.899 -19.501 15.589 1.00 0.00 H new ATOM 0 HA THR A 33 -1.439 -20.913 17.360 1.00 0.00 H new ATOM 0 HB THR A 33 -4.032 -21.616 16.776 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.572 -22.940 18.767 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.095 -24.084 16.753 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.297 -23.473 15.284 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.322 -24.140 16.615 1.00 0.00 H new ATOM 462 N SER A 34 -0.843 -22.323 14.551 1.00 0.00 N ATOM 463 CA SER A 34 0.128 -23.123 13.822 1.00 0.00 C ATOM 464 C SER A 34 1.538 -22.836 14.341 1.00 0.00 C ATOM 465 O SER A 34 1.819 -21.733 14.806 1.00 0.00 O ATOM 466 CB SER A 34 0.049 -22.848 12.318 1.00 0.00 C ATOM 467 OG SER A 34 -0.249 -24.027 11.575 1.00 0.00 O ATOM 0 H SER A 34 -1.512 -21.825 13.964 1.00 0.00 H new ATOM 0 HA SER A 34 -0.104 -24.175 13.985 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.716 -22.096 12.127 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.997 -22.433 11.975 1.00 0.00 H new ATOM 0 HG SER A 34 -0.293 -23.810 10.620 1.00 0.00 H new ATOM 473 N ALA A 35 2.387 -23.848 14.243 1.00 0.00 N ATOM 474 CA ALA A 35 3.762 -23.718 14.697 1.00 0.00 C ATOM 475 C ALA A 35 4.305 -22.351 14.278 1.00 0.00 C ATOM 476 O ALA A 35 4.642 -21.526 15.126 1.00 0.00 O ATOM 477 CB ALA A 35 4.595 -24.873 14.138 1.00 0.00 C ATOM 0 H ALA A 35 2.150 -24.762 13.856 1.00 0.00 H new ATOM 0 HA ALA A 35 3.815 -23.774 15.784 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.626 -24.776 14.478 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.185 -25.820 14.488 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.568 -24.847 13.049 1.00 0.00 H new ATOM 483 N ASP A 36 4.374 -22.152 12.970 1.00 0.00 N ATOM 484 CA ASP A 36 4.871 -20.899 12.428 1.00 0.00 C ATOM 485 C ASP A 36 3.714 -20.131 11.785 1.00 0.00 C ATOM 486 O ASP A 36 3.401 -20.339 10.614 1.00 0.00 O ATOM 487 CB ASP A 36 5.930 -21.145 11.352 1.00 0.00 C ATOM 488 CG ASP A 36 6.805 -22.381 11.577 1.00 0.00 C ATOM 489 OD1 ASP A 36 6.981 -22.744 12.760 1.00 0.00 O ATOM 490 OD2 ASP A 36 7.278 -22.934 10.560 1.00 0.00 O ATOM 0 H ASP A 36 4.094 -22.838 12.269 1.00 0.00 H new ATOM 0 HA ASP A 36 5.313 -20.331 13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.431 -21.242 10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.575 -20.268 11.291 1.00 0.00 H new ATOM 495 N LYS A 37 3.111 -19.260 12.580 1.00 0.00 N ATOM 496 CA LYS A 37 1.995 -18.460 12.103 1.00 0.00 C ATOM 497 C LYS A 37 2.517 -17.377 11.157 1.00 0.00 C ATOM 498 O LYS A 37 2.072 -17.279 10.014 1.00 0.00 O ATOM 499 CB LYS A 37 1.188 -17.910 13.281 1.00 0.00 C ATOM 500 CG LYS A 37 0.633 -19.046 14.143 1.00 0.00 C ATOM 501 CD LYS A 37 1.134 -18.935 15.585 1.00 0.00 C ATOM 502 CE LYS A 37 0.532 -17.713 16.281 1.00 0.00 C ATOM 503 NZ LYS A 37 0.381 -17.965 17.732 1.00 0.00 N ATOM 0 H LYS A 37 3.374 -19.090 13.551 1.00 0.00 H new ATOM 0 HA LYS A 37 1.302 -19.077 11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.820 -17.263 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.367 -17.296 12.909 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.457 -19.019 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.933 -20.006 13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.871 -19.838 16.136 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.222 -18.863 15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.171 -16.845 16.121 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.439 -17.479 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.029 -17.126 18.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.247 -18.781 17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.313 -18.166 18.148 1.00 0.00 H new ATOM 517 N LYS A 38 3.454 -16.591 11.667 1.00 0.00 N ATOM 518 CA LYS A 38 4.041 -15.519 10.882 1.00 0.00 C ATOM 519 C LYS A 38 4.544 -16.084 9.551 1.00 0.00 C ATOM 520 O LYS A 38 4.068 -15.691 8.487 1.00 0.00 O ATOM 521 CB LYS A 38 5.120 -14.794 11.688 1.00 0.00 C ATOM 522 CG LYS A 38 4.672 -13.377 12.053 1.00 0.00 C ATOM 523 CD LYS A 38 3.525 -13.407 13.065 1.00 0.00 C ATOM 524 CE LYS A 38 2.269 -12.750 12.491 1.00 0.00 C ATOM 525 NZ LYS A 38 1.074 -13.575 12.779 1.00 0.00 N ATOM 0 H LYS A 38 3.821 -16.676 12.615 1.00 0.00 H new ATOM 0 HA LYS A 38 3.290 -14.765 10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.339 -15.355 12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.043 -14.750 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.513 -12.822 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.354 -12.849 11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.306 -14.438 13.341 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.826 -12.890 13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.143 -11.756 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.378 -12.622 11.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.226 -13.098 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.174 -14.503 12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.981 -13.704 13.807 1.00 0.00 H new ATOM 539 N THR A 39 5.498 -16.996 9.655 1.00 0.00 N ATOM 540 CA THR A 39 6.070 -17.619 8.473 1.00 0.00 C ATOM 541 C THR A 39 4.962 -18.085 7.527 1.00 0.00 C ATOM 542 O THR A 39 4.984 -17.771 6.338 1.00 0.00 O ATOM 543 CB THR A 39 6.992 -18.750 8.934 1.00 0.00 C ATOM 544 OG1 THR A 39 7.870 -18.125 9.866 1.00 0.00 O ATOM 545 CG2 THR A 39 7.919 -19.240 7.820 1.00 0.00 C ATOM 0 H THR A 39 5.890 -17.319 10.539 1.00 0.00 H new ATOM 0 HA THR A 39 6.665 -16.908 7.900 1.00 0.00 H new ATOM 0 HB THR A 39 6.390 -19.583 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.501 -18.788 10.216 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.552 -20.042 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.322 -19.612 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.545 -18.415 7.478 1.00 0.00 H new ATOM 553 N CYS A 40 4.020 -18.827 8.090 1.00 0.00 N ATOM 554 CA CYS A 40 2.905 -19.339 7.311 1.00 0.00 C ATOM 555 C CYS A 40 2.398 -18.217 6.404 1.00 0.00 C ATOM 556 O CYS A 40 2.519 -18.299 5.182 1.00 0.00 O ATOM 557 CB CYS A 40 1.797 -19.894 8.208 1.00 0.00 C ATOM 558 SG CYS A 40 0.321 -20.505 7.315 1.00 0.00 S ATOM 0 H CYS A 40 4.006 -19.086 9.076 1.00 0.00 H new ATOM 0 HA CYS A 40 3.239 -20.176 6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.206 -20.709 8.805 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.487 -19.114 8.903 1.00 0.00 H new ATOM 563 N ARG A 41 1.839 -17.195 7.036 1.00 0.00 N ATOM 564 CA ARG A 41 1.313 -16.058 6.300 1.00 0.00 C ATOM 565 C ARG A 41 2.340 -15.563 5.281 1.00 0.00 C ATOM 566 O ARG A 41 2.029 -15.420 4.099 1.00 0.00 O ATOM 567 CB ARG A 41 0.949 -14.911 7.246 1.00 0.00 C ATOM 568 CG ARG A 41 -0.421 -15.143 7.887 1.00 0.00 C ATOM 569 CD ARG A 41 -0.736 -14.054 8.915 1.00 0.00 C ATOM 570 NE ARG A 41 -0.836 -12.739 8.245 1.00 0.00 N ATOM 571 CZ ARG A 41 -0.826 -11.564 8.890 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.721 -11.534 10.225 1.00 0.00 N ATOM 573 NH2 ARG A 41 -0.921 -10.420 8.199 1.00 0.00 N ATOM 0 H ARG A 41 1.739 -17.131 8.049 1.00 0.00 H new ATOM 0 HA ARG A 41 0.412 -16.387 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.708 -14.821 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.943 -13.970 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.191 -15.153 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.440 -16.120 8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.672 -14.284 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.043 -14.025 9.677 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.918 -12.726 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.649 -12.405 10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.713 -10.640 10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.001 -10.443 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.913 -9.526 8.690 1.00 0.00 H new ATOM 587 N ARG A 42 3.544 -15.314 5.775 1.00 0.00 N ATOM 588 CA ARG A 42 4.620 -14.838 4.922 1.00 0.00 C ATOM 589 C ARG A 42 4.674 -15.656 3.630 1.00 0.00 C ATOM 590 O ARG A 42 4.475 -15.118 2.542 1.00 0.00 O ATOM 591 CB ARG A 42 5.971 -14.933 5.634 1.00 0.00 C ATOM 592 CG ARG A 42 6.316 -13.616 6.332 1.00 0.00 C ATOM 593 CD ARG A 42 5.588 -13.498 7.672 1.00 0.00 C ATOM 594 NE ARG A 42 5.993 -12.252 8.361 1.00 0.00 N ATOM 595 CZ ARG A 42 5.499 -11.040 8.073 1.00 0.00 C ATOM 596 NH1 ARG A 42 4.578 -10.903 7.109 1.00 0.00 N ATOM 597 NH2 ARG A 42 5.925 -9.965 8.750 1.00 0.00 N ATOM 0 H ARG A 42 3.798 -15.433 6.756 1.00 0.00 H new ATOM 0 HA ARG A 42 4.419 -13.793 4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.945 -15.741 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.750 -15.181 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.392 -13.557 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.043 -12.778 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.510 -13.500 7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.818 -14.360 8.297 1.00 0.00 H new ATOM 0 HE ARG A 42 6.692 -12.320 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.253 -11.721 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.202 -9.980 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.625 -10.069 9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.549 -9.042 8.531 1.00 0.00 H new ATOM 611 N ASN A 43 4.944 -16.943 3.792 1.00 0.00 N ATOM 612 CA ASN A 43 5.027 -17.840 2.652 1.00 0.00 C ATOM 613 C ASN A 43 3.669 -17.892 1.950 1.00 0.00 C ATOM 614 O ASN A 43 3.590 -18.217 0.766 1.00 0.00 O ATOM 615 CB ASN A 43 5.386 -19.260 3.094 1.00 0.00 C ATOM 616 CG ASN A 43 6.351 -19.915 2.103 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.331 -19.653 0.912 1.00 0.00 O ATOM 618 ND2 ASN A 43 7.194 -20.779 2.661 1.00 0.00 N ATOM 0 H ASN A 43 5.108 -17.386 4.696 1.00 0.00 H new ATOM 0 HA ASN A 43 5.801 -17.464 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.840 -19.233 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.479 -19.860 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.878 -21.269 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.157 -20.952 3.666 1.00 0.00 H new ATOM 625 N CYS A 44 2.633 -17.566 2.709 1.00 0.00 N ATOM 626 CA CYS A 44 1.282 -17.571 2.175 1.00 0.00 C ATOM 627 C CYS A 44 1.129 -16.366 1.244 1.00 0.00 C ATOM 628 O CYS A 44 0.292 -16.376 0.343 1.00 0.00 O ATOM 629 CB CYS A 44 0.233 -17.570 3.288 1.00 0.00 C ATOM 630 SG CYS A 44 -1.418 -18.181 2.789 1.00 0.00 S ATOM 0 H CYS A 44 2.702 -17.296 3.690 1.00 0.00 H new ATOM 0 HA CYS A 44 1.115 -18.488 1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.598 -18.183 4.112 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.129 -16.554 3.669 1.00 0.00 H new ATOM 635 N LYS A 45 1.949 -15.357 1.495 1.00 0.00 N ATOM 636 CA LYS A 45 1.915 -14.147 0.692 1.00 0.00 C ATOM 637 C LYS A 45 2.413 -14.463 -0.720 1.00 0.00 C ATOM 638 O LYS A 45 1.991 -13.832 -1.687 1.00 0.00 O ATOM 639 CB LYS A 45 2.693 -13.024 1.381 1.00 0.00 C ATOM 640 CG LYS A 45 2.059 -11.661 1.093 1.00 0.00 C ATOM 641 CD LYS A 45 1.909 -10.844 2.378 1.00 0.00 C ATOM 642 CE LYS A 45 3.263 -10.311 2.850 1.00 0.00 C ATOM 643 NZ LYS A 45 3.974 -11.335 3.649 1.00 0.00 N ATOM 0 H LYS A 45 2.642 -15.352 2.244 1.00 0.00 H new ATOM 0 HA LYS A 45 0.892 -13.782 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.715 -13.199 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.727 -13.028 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.674 -11.113 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.082 -11.801 0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.226 -10.012 2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.466 -11.464 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.869 -10.028 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.118 -9.411 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.606 -10.867 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.282 -11.917 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.535 -11.941 3.017 1.00 0.00 H new ATOM 657 N LYS A 46 3.305 -15.441 -0.793 1.00 0.00 N ATOM 658 CA LYS A 46 3.865 -15.849 -2.070 1.00 0.00 C ATOM 659 C LYS A 46 3.018 -16.982 -2.655 1.00 0.00 C ATOM 660 O LYS A 46 3.051 -17.227 -3.860 1.00 0.00 O ATOM 661 CB LYS A 46 5.345 -16.204 -1.917 1.00 0.00 C ATOM 662 CG LYS A 46 6.188 -14.949 -1.684 1.00 0.00 C ATOM 663 CD LYS A 46 6.745 -14.408 -3.003 1.00 0.00 C ATOM 664 CE LYS A 46 6.952 -12.894 -2.931 1.00 0.00 C ATOM 665 NZ LYS A 46 8.372 -12.579 -2.659 1.00 0.00 N ATOM 0 H LYS A 46 3.653 -15.962 0.012 1.00 0.00 H new ATOM 0 HA LYS A 46 3.831 -15.024 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.473 -16.893 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.693 -16.720 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.581 -14.184 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.010 -15.179 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.692 -14.898 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.060 -14.647 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.644 -12.434 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.323 -12.472 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.496 -11.547 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.654 -13.002 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.965 -12.966 -3.421 1.00 0.00 H new ATOM 679 N ALA A 47 2.280 -17.641 -1.775 1.00 0.00 N ATOM 680 CA ALA A 47 1.427 -18.742 -2.188 1.00 0.00 C ATOM 681 C ALA A 47 0.536 -18.284 -3.345 1.00 0.00 C ATOM 682 O ALA A 47 0.559 -18.877 -4.423 1.00 0.00 O ATOM 683 CB ALA A 47 0.616 -19.238 -0.989 1.00 0.00 C ATOM 0 H ALA A 47 2.255 -17.434 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 47 2.027 -19.579 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.024 -20.064 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.294 -19.578 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.001 -18.425 -0.606 1.00 0.00 H new ATOM 689 N ASP A 48 -0.226 -17.233 -3.083 1.00 0.00 N ATOM 690 CA ASP A 48 -1.123 -16.689 -4.088 1.00 0.00 C ATOM 691 C ASP A 48 -1.545 -15.276 -3.679 1.00 0.00 C ATOM 692 O ASP A 48 -2.734 -14.966 -3.642 1.00 0.00 O ATOM 693 CB ASP A 48 -2.387 -17.541 -4.218 1.00 0.00 C ATOM 694 CG ASP A 48 -2.983 -17.602 -5.626 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.186 -17.513 -6.585 1.00 0.00 O ATOM 696 OD2 ASP A 48 -4.223 -17.737 -5.712 1.00 0.00 O ATOM 0 H ASP A 48 -0.241 -16.743 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.595 -16.680 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.158 -18.556 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.142 -17.150 -3.536 1.00 0.00 H new ATOM 701 N CYS A 49 -0.546 -14.458 -3.381 1.00 0.00 N ATOM 702 CA CYS A 49 -0.799 -13.086 -2.975 1.00 0.00 C ATOM 703 C CYS A 49 0.439 -12.251 -3.308 1.00 0.00 C ATOM 704 O CYS A 49 0.761 -11.301 -2.596 1.00 0.00 O ATOM 705 CB CYS A 49 -1.168 -12.993 -1.493 1.00 0.00 C ATOM 706 SG CYS A 49 -2.022 -14.466 -0.821 1.00 0.00 S ATOM 0 H CYS A 49 0.440 -14.719 -3.413 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.658 -12.695 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.259 -12.823 -0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.806 -12.122 -1.346 1.00 0.00 H new ATOM 711 N GLU A 50 1.100 -12.636 -4.390 1.00 0.00 N ATOM 712 CA GLU A 50 2.296 -11.935 -4.825 1.00 0.00 C ATOM 713 C GLU A 50 1.918 -10.632 -5.534 1.00 0.00 C ATOM 714 O GLU A 50 2.467 -9.574 -5.230 1.00 0.00 O ATOM 715 CB GLU A 50 3.153 -12.822 -5.730 1.00 0.00 C ATOM 716 CG GLU A 50 4.345 -13.398 -4.962 1.00 0.00 C ATOM 717 CD GLU A 50 5.601 -13.421 -5.836 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.181 -12.330 -6.025 1.00 0.00 O ATOM 719 OE2 GLU A 50 5.951 -14.529 -6.297 1.00 0.00 O ATOM 0 H GLU A 50 0.830 -13.424 -4.978 1.00 0.00 H new ATOM 0 HA GLU A 50 2.890 -11.689 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.546 -13.634 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.510 -12.242 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.530 -12.801 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.112 -14.409 -4.627 1.00 0.00 H new ATOM 726 N PRO A 51 0.959 -10.755 -6.490 1.00 0.00 N ATOM 727 CA PRO A 51 0.502 -9.600 -7.245 1.00 0.00 C ATOM 728 C PRO A 51 -0.411 -8.716 -6.393 1.00 0.00 C ATOM 729 O PRO A 51 -0.440 -7.498 -6.567 1.00 0.00 O ATOM 730 CB PRO A 51 -0.199 -10.179 -8.463 1.00 0.00 C ATOM 731 CG PRO A 51 -0.516 -11.624 -8.115 1.00 0.00 C ATOM 732 CD PRO A 51 0.287 -11.992 -6.877 1.00 0.00 C ATOM 0 HA PRO A 51 1.318 -8.944 -7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.109 -9.624 -8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.439 -10.121 -9.345 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.583 -11.747 -7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.260 -12.282 -8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.360 -12.357 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.006 -12.783 -7.092 1.00 0.00 H new ATOM 740 N GLN A 52 -1.135 -9.362 -5.491 1.00 0.00 N ATOM 741 CA GLN A 52 -2.046 -8.649 -4.613 1.00 0.00 C ATOM 742 C GLN A 52 -1.263 -7.779 -3.628 1.00 0.00 C ATOM 743 O GLN A 52 -1.499 -6.576 -3.533 1.00 0.00 O ATOM 744 CB GLN A 52 -2.967 -9.622 -3.873 1.00 0.00 C ATOM 745 CG GLN A 52 -3.596 -10.626 -4.841 1.00 0.00 C ATOM 746 CD GLN A 52 -4.635 -11.496 -4.130 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.124 -11.175 -3.060 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.942 -12.613 -4.783 1.00 0.00 N ATOM 0 H GLN A 52 -1.109 -10.372 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.673 -7.998 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.401 -10.154 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.752 -9.066 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.066 -10.094 -5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.819 -11.259 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.495 -12.821 -5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.625 -13.262 -4.391 1.00 0.00 H new ATOM 757 N ASP A 53 -0.346 -8.422 -2.919 1.00 0.00 N ATOM 758 CA ASP A 53 0.473 -7.722 -1.945 1.00 0.00 C ATOM 759 C ASP A 53 1.133 -6.514 -2.613 1.00 0.00 C ATOM 760 O ASP A 53 1.403 -5.509 -1.959 1.00 0.00 O ATOM 761 CB ASP A 53 1.582 -8.628 -1.406 1.00 0.00 C ATOM 762 CG ASP A 53 2.222 -8.158 -0.098 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.504 -7.489 0.677 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.414 -8.478 0.098 1.00 0.00 O ATOM 0 H ASP A 53 -0.153 -9.420 -3.000 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.172 -7.412 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.173 -9.627 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.361 -8.714 -2.164 1.00 0.00 H new ATOM 769 N LYS A 54 1.372 -6.653 -3.909 1.00 0.00 N ATOM 770 CA LYS A 54 1.995 -5.586 -4.673 1.00 0.00 C ATOM 771 C LYS A 54 0.978 -4.464 -4.896 1.00 0.00 C ATOM 772 O LYS A 54 1.190 -3.334 -4.457 1.00 0.00 O ATOM 773 CB LYS A 54 2.597 -6.135 -5.968 1.00 0.00 C ATOM 774 CG LYS A 54 3.951 -6.798 -5.705 1.00 0.00 C ATOM 775 CD LYS A 54 4.733 -6.984 -7.007 1.00 0.00 C ATOM 776 CE LYS A 54 6.116 -6.336 -6.912 1.00 0.00 C ATOM 777 NZ LYS A 54 7.067 -7.010 -7.824 1.00 0.00 N ATOM 0 H LYS A 54 1.145 -7.488 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 54 2.829 -5.157 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.914 -6.859 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.718 -5.326 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.531 -6.187 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.799 -7.765 -5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.839 -8.047 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.177 -6.544 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.047 -5.278 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.482 -6.395 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.001 -6.558 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.146 -8.014 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.724 -6.932 -8.803 1.00 0.00 H new ATOM 791 N VAL A 55 -0.102 -4.814 -5.577 1.00 0.00 N ATOM 792 CA VAL A 55 -1.152 -3.851 -5.863 1.00 0.00 C ATOM 793 C VAL A 55 -1.392 -2.983 -4.626 1.00 0.00 C ATOM 794 O VAL A 55 -1.515 -1.764 -4.733 1.00 0.00 O ATOM 795 CB VAL A 55 -2.413 -4.576 -6.338 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.523 -3.580 -6.679 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.106 -5.484 -7.531 1.00 0.00 C ATOM 0 H VAL A 55 -0.273 -5.752 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.851 -3.187 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.766 -5.204 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.408 -4.122 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.770 -2.993 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.183 -2.914 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.019 -5.988 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.717 -4.884 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.364 -6.228 -7.241 1.00 0.00 H new ATOM 807 N CYS A 56 -1.452 -3.645 -3.480 1.00 0.00 N ATOM 808 CA CYS A 56 -1.675 -2.949 -2.224 1.00 0.00 C ATOM 809 C CYS A 56 -0.569 -1.906 -2.050 1.00 0.00 C ATOM 810 O CYS A 56 -0.833 -0.705 -2.082 1.00 0.00 O ATOM 811 CB CYS A 56 -1.736 -3.919 -1.043 1.00 0.00 C ATOM 812 SG CYS A 56 -2.357 -3.191 0.517 1.00 0.00 S ATOM 0 H CYS A 56 -1.350 -4.656 -3.395 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.643 -2.449 -2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.374 -4.760 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.738 -4.320 -0.868 1.00 0.00 H new ATOM 817 N ASP A 57 0.646 -2.403 -1.869 1.00 0.00 N ATOM 818 CA ASP A 57 1.793 -1.530 -1.689 1.00 0.00 C ATOM 819 C ASP A 57 1.714 -0.379 -2.694 1.00 0.00 C ATOM 820 O ASP A 57 1.853 0.785 -2.323 1.00 0.00 O ATOM 821 CB ASP A 57 3.102 -2.282 -1.934 1.00 0.00 C ATOM 822 CG ASP A 57 4.342 -1.396 -2.067 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.542 -0.560 -1.159 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.062 -1.575 -3.072 1.00 0.00 O ATOM 0 H ASP A 57 0.861 -3.400 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 57 1.777 -1.159 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.260 -2.982 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.998 -2.875 -2.843 1.00 0.00 H new ATOM 829 N ALA A 58 1.492 -0.745 -3.948 1.00 0.00 N ATOM 830 CA ALA A 58 1.393 0.243 -5.010 1.00 0.00 C ATOM 831 C ALA A 58 0.528 1.411 -4.534 1.00 0.00 C ATOM 832 O ALA A 58 0.842 2.570 -4.802 1.00 0.00 O ATOM 833 CB ALA A 58 0.837 -0.419 -6.272 1.00 0.00 C ATOM 0 H ALA A 58 1.378 -1.712 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 58 2.377 0.641 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.763 0.321 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.503 -1.223 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.152 -0.828 -6.063 1.00 0.00 H new ATOM 839 N CYS A 59 -0.545 1.067 -3.837 1.00 0.00 N ATOM 840 CA CYS A 59 -1.458 2.073 -3.322 1.00 0.00 C ATOM 841 C CYS A 59 -0.661 3.039 -2.442 1.00 0.00 C ATOM 842 O CYS A 59 -0.571 4.228 -2.743 1.00 0.00 O ATOM 843 CB CYS A 59 -2.626 1.441 -2.563 1.00 0.00 C ATOM 844 SG CYS A 59 -3.955 2.608 -2.090 1.00 0.00 S ATOM 0 H CYS A 59 -0.803 0.105 -3.617 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.904 2.622 -4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.057 0.652 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.240 0.966 -1.661 1.00 0.00 H new ATOM 849 N ARG A 60 -0.104 2.491 -1.372 1.00 0.00 N ATOM 850 CA ARG A 60 0.682 3.289 -0.446 1.00 0.00 C ATOM 851 C ARG A 60 1.766 4.063 -1.200 1.00 0.00 C ATOM 852 O ARG A 60 2.253 5.084 -0.718 1.00 0.00 O ATOM 853 CB ARG A 60 1.340 2.410 0.619 1.00 0.00 C ATOM 854 CG ARG A 60 0.287 1.668 1.444 1.00 0.00 C ATOM 855 CD ARG A 60 0.916 1.017 2.678 1.00 0.00 C ATOM 856 NE ARG A 60 -0.114 0.277 3.440 1.00 0.00 N ATOM 857 CZ ARG A 60 0.145 -0.475 4.519 1.00 0.00 C ATOM 858 NH1 ARG A 60 1.402 -0.591 4.968 1.00 0.00 N ATOM 859 NH2 ARG A 60 -0.853 -1.111 5.148 1.00 0.00 N ATOM 0 H ARG A 60 -0.181 1.504 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 60 0.006 3.989 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.006 1.691 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.954 3.026 1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.494 2.363 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.190 0.905 0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.713 0.338 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.370 1.780 3.310 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.082 0.343 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.161 -0.107 4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.600 -1.163 5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.810 -1.023 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.656 -1.683 5.969 1.00 0.00 H new ATOM 873 N MET A 61 2.112 3.545 -2.370 1.00 0.00 N ATOM 874 CA MET A 61 3.129 4.174 -3.195 1.00 0.00 C ATOM 875 C MET A 61 2.520 5.263 -4.081 1.00 0.00 C ATOM 876 O MET A 61 3.158 6.280 -4.348 1.00 0.00 O ATOM 877 CB MET A 61 3.801 3.117 -4.072 1.00 0.00 C ATOM 878 CG MET A 61 4.541 3.766 -5.244 1.00 0.00 C ATOM 879 SD MET A 61 6.148 3.013 -5.443 1.00 0.00 S ATOM 880 CE MET A 61 5.790 1.862 -6.759 1.00 0.00 C ATOM 0 H MET A 61 1.706 2.697 -2.766 1.00 0.00 H new ATOM 0 HA MET A 61 3.867 4.636 -2.540 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.501 2.534 -3.473 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.051 2.423 -4.451 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.961 3.652 -6.160 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.651 4.836 -5.068 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.692 1.304 -7.010 1.00 0.00 H new ATOM 0 HE2 MET A 61 5.013 1.169 -6.435 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.445 2.409 -7.637 1.00 0.00 H new ATOM 890 N LYS A 62 1.293 5.011 -4.514 1.00 0.00 N ATOM 891 CA LYS A 62 0.591 5.957 -5.365 1.00 0.00 C ATOM 892 C LYS A 62 0.061 7.110 -4.510 1.00 0.00 C ATOM 893 O LYS A 62 0.337 8.275 -4.793 1.00 0.00 O ATOM 894 CB LYS A 62 -0.493 5.244 -6.176 1.00 0.00 C ATOM 895 CG LYS A 62 -0.151 5.246 -7.668 1.00 0.00 C ATOM 896 CD LYS A 62 0.711 4.037 -8.034 1.00 0.00 C ATOM 897 CE LYS A 62 1.622 4.352 -9.223 1.00 0.00 C ATOM 898 NZ LYS A 62 1.164 3.633 -10.432 1.00 0.00 N ATOM 0 H LYS A 62 0.767 4.166 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 62 1.272 6.390 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.599 4.218 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.453 5.736 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.069 5.234 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.378 6.165 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.316 3.744 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.070 3.189 -8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.626 5.426 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.647 4.065 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.793 3.858 -11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.183 2.608 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.193 3.926 -10.664 1.00 0.00 H new ATOM 912 N CYS A 63 -0.690 6.745 -3.481 1.00 0.00 N ATOM 913 CA CYS A 63 -1.260 7.735 -2.584 1.00 0.00 C ATOM 914 C CYS A 63 -0.205 8.810 -2.320 1.00 0.00 C ATOM 915 O CYS A 63 -0.527 9.994 -2.233 1.00 0.00 O ATOM 916 CB CYS A 63 -1.763 7.099 -1.286 1.00 0.00 C ATOM 917 SG CYS A 63 -2.444 8.280 -0.065 1.00 0.00 S ATOM 0 H CYS A 63 -0.917 5.778 -3.249 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.133 8.191 -3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.533 6.367 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.941 6.553 -0.823 1.00 0.00 H new ATOM 922 N HIS A 64 1.036 8.360 -2.200 1.00 0.00 N ATOM 923 CA HIS A 64 2.141 9.269 -1.948 1.00 0.00 C ATOM 924 C HIS A 64 2.215 10.309 -3.067 1.00 0.00 C ATOM 925 O HIS A 64 2.112 11.508 -2.812 1.00 0.00 O ATOM 926 CB HIS A 64 3.450 8.496 -1.770 1.00 0.00 C ATOM 927 CG HIS A 64 4.672 9.376 -1.663 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.361 9.840 -2.771 1.00 0.00 N ATOM 929 CD2 HIS A 64 5.321 9.872 -0.571 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.377 10.580 -2.351 1.00 0.00 C ATOM 931 NE2 HIS A 64 6.351 10.598 -0.988 1.00 0.00 N ATOM 0 H HIS A 64 1.300 7.378 -2.273 1.00 0.00 H new ATOM 0 HA HIS A 64 1.971 9.803 -1.013 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.378 7.881 -0.873 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.577 7.817 -2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.044 9.703 0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.099 11.081 -2.979 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.014 11.089 -0.388 1.00 0.00 H new ATOM 939 N LYS A 65 2.392 9.813 -4.283 1.00 0.00 N ATOM 940 CA LYS A 65 2.481 10.685 -5.442 1.00 0.00 C ATOM 941 C LYS A 65 1.141 11.396 -5.643 1.00 0.00 C ATOM 942 O LYS A 65 1.095 12.619 -5.763 1.00 0.00 O ATOM 943 CB LYS A 65 2.951 9.900 -6.668 1.00 0.00 C ATOM 944 CG LYS A 65 4.427 10.175 -6.962 1.00 0.00 C ATOM 945 CD LYS A 65 4.761 9.873 -8.424 1.00 0.00 C ATOM 946 CE LYS A 65 6.084 9.113 -8.539 1.00 0.00 C ATOM 947 NZ LYS A 65 6.436 8.897 -9.960 1.00 0.00 N ATOM 0 H LYS A 65 2.476 8.818 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 65 3.232 11.458 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.803 8.833 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.347 10.174 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.657 11.217 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.051 9.565 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.959 9.284 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.823 10.805 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.876 9.674 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.005 8.153 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.336 8.380 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.687 8.343 -10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.532 9.816 -10.437 1.00 0.00 H new ATOM 961 N ALA A 66 0.083 10.598 -5.675 1.00 0.00 N ATOM 962 CA ALA A 66 -1.254 11.136 -5.860 1.00 0.00 C ATOM 963 C ALA A 66 -1.490 12.263 -4.852 1.00 0.00 C ATOM 964 O ALA A 66 -1.755 13.400 -5.238 1.00 0.00 O ATOM 965 CB ALA A 66 -2.280 10.010 -5.726 1.00 0.00 C ATOM 0 H ALA A 66 0.125 9.584 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.363 11.559 -6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.283 10.413 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.087 9.250 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.203 9.563 -4.735 1.00 0.00 H new ATOM 971 N CYS A 67 -1.385 11.907 -3.580 1.00 0.00 N ATOM 972 CA CYS A 67 -1.584 12.874 -2.514 1.00 0.00 C ATOM 973 C CYS A 67 -0.661 14.067 -2.770 1.00 0.00 C ATOM 974 O CYS A 67 -1.082 15.218 -2.658 1.00 0.00 O ATOM 975 CB CYS A 67 -1.347 12.254 -1.136 1.00 0.00 C ATOM 976 SG CYS A 67 -1.882 13.289 0.274 1.00 0.00 S ATOM 0 H CYS A 67 -1.165 10.963 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.621 13.211 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.872 11.300 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.284 12.039 -1.028 1.00 0.00 H new ATOM 981 N ARG A 68 0.581 13.752 -3.107 1.00 0.00 N ATOM 982 CA ARG A 68 1.567 14.784 -3.379 1.00 0.00 C ATOM 983 C ARG A 68 1.078 15.704 -4.500 1.00 0.00 C ATOM 984 O ARG A 68 1.180 16.925 -4.394 1.00 0.00 O ATOM 985 CB ARG A 68 2.910 14.170 -3.782 1.00 0.00 C ATOM 986 CG ARG A 68 3.919 15.257 -4.156 1.00 0.00 C ATOM 987 CD ARG A 68 4.627 14.919 -5.469 1.00 0.00 C ATOM 988 NE ARG A 68 6.031 14.532 -5.203 1.00 0.00 N ATOM 989 CZ ARG A 68 6.955 14.355 -6.156 1.00 0.00 C ATOM 990 NH1 ARG A 68 6.631 14.530 -7.445 1.00 0.00 N ATOM 991 NH2 ARG A 68 8.204 14.004 -5.822 1.00 0.00 N ATOM 0 H ARG A 68 0.927 12.797 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 68 1.704 15.361 -2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.302 13.572 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.767 13.495 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.408 16.215 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.655 15.365 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.106 14.105 -5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.599 15.779 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 68 6.312 14.391 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.680 14.798 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.335 14.395 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.452 13.871 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.907 13.869 -6.548 1.00 0.00 H new ATOM 1005 N ALA A 69 0.558 15.082 -5.548 1.00 0.00 N ATOM 1006 CA ALA A 69 0.052 15.829 -6.687 1.00 0.00 C ATOM 1007 C ALA A 69 -1.310 16.428 -6.334 1.00 0.00 C ATOM 1008 O ALA A 69 -1.813 17.298 -7.045 1.00 0.00 O ATOM 1009 CB ALA A 69 -0.012 14.913 -7.910 1.00 0.00 C ATOM 0 H ALA A 69 0.476 14.069 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 69 0.720 16.654 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.392 15.473 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.986 14.538 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.676 14.074 -7.702 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.870 15.939 -5.237 1.00 0.00 N ATOM 1016 CA ALA A 70 -3.165 16.416 -4.782 1.00 0.00 C ATOM 1017 C ALA A 70 -3.004 17.805 -4.162 1.00 0.00 C ATOM 1018 O ALA A 70 -3.499 18.792 -4.703 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.765 15.406 -3.802 1.00 0.00 C ATOM 0 H ALA A 70 -1.451 15.218 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.856 16.508 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.736 15.763 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.887 14.444 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.100 15.290 -2.946 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.308 17.837 -3.035 1.00 0.00 N ATOM 1026 CA ASN A 71 -2.075 19.089 -2.335 1.00 0.00 C ATOM 1027 C ASN A 71 -0.805 19.744 -2.880 1.00 0.00 C ATOM 1028 O ASN A 71 -0.869 20.788 -3.528 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.879 18.854 -0.836 1.00 0.00 C ATOM 1030 CG ASN A 71 -3.201 18.475 -0.163 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.849 19.279 0.486 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.561 17.209 -0.354 1.00 0.00 N ATOM 0 H ASN A 71 -1.898 17.016 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.944 19.728 -2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.147 18.061 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.476 19.754 -0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.427 16.858 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.971 16.589 -0.909 1.00 0.00 H new ATOM 1039 N CYS A 72 0.321 19.104 -2.598 1.00 0.00 N ATOM 1040 CA CYS A 72 1.604 19.612 -3.053 1.00 0.00 C ATOM 1041 C CYS A 72 1.571 19.704 -4.580 1.00 0.00 C ATOM 1042 O CYS A 72 0.651 19.193 -5.216 1.00 0.00 O ATOM 1043 CB CYS A 72 2.763 18.743 -2.558 1.00 0.00 C ATOM 1044 SG CYS A 72 2.844 18.533 -0.742 1.00 0.00 S ATOM 0 H CYS A 72 0.371 18.239 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 72 1.775 20.604 -2.635 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.684 17.759 -3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.700 19.182 -2.901 1.00 0.00 H new ATOM 1049 N ALA A 73 2.586 20.359 -5.123 1.00 0.00 N ATOM 1050 CA ALA A 73 2.685 20.525 -6.563 1.00 0.00 C ATOM 1051 C ALA A 73 3.958 21.307 -6.896 1.00 0.00 C ATOM 1052 O ALA A 73 4.749 20.882 -7.737 1.00 0.00 O ATOM 1053 CB ALA A 73 1.423 21.215 -7.085 1.00 0.00 C ATOM 0 H ALA A 73 3.347 20.781 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 73 2.755 19.556 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.497 21.340 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.551 20.605 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.321 22.192 -6.613 1.00 0.00 H new ATOM 1059 N SER A 74 4.115 22.435 -6.219 1.00 0.00 N ATOM 1060 CA SER A 74 5.278 23.279 -6.433 1.00 0.00 C ATOM 1061 C SER A 74 6.467 22.746 -5.631 1.00 0.00 C ATOM 1062 O SER A 74 7.588 22.698 -6.134 1.00 0.00 O ATOM 1063 CB SER A 74 4.984 24.730 -6.045 1.00 0.00 C ATOM 1064 OG SER A 74 4.927 25.586 -7.183 1.00 0.00 O ATOM 0 H SER A 74 3.457 22.784 -5.522 1.00 0.00 H new ATOM 0 HA SER A 74 5.525 23.257 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.036 24.777 -5.508 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.755 25.086 -5.362 1.00 0.00 H new ATOM 0 HG SER A 74 4.736 26.503 -6.894 1.00 0.00 H new ATOM 1070 N GLU A 75 6.181 22.358 -4.397 1.00 0.00 N ATOM 1071 CA GLU A 75 7.212 21.830 -3.520 1.00 0.00 C ATOM 1072 C GLU A 75 7.806 20.550 -4.111 1.00 0.00 C ATOM 1073 O GLU A 75 8.922 20.163 -3.768 1.00 0.00 O ATOM 1074 CB GLU A 75 6.662 21.582 -2.114 1.00 0.00 C ATOM 1075 CG GLU A 75 6.582 22.886 -1.318 1.00 0.00 C ATOM 1076 CD GLU A 75 5.567 23.847 -1.941 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.380 23.742 -1.563 1.00 0.00 O ATOM 1078 OE2 GLU A 75 6.001 24.665 -2.781 1.00 0.00 O ATOM 0 H GLU A 75 5.249 22.399 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 75 8.007 22.572 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.672 21.132 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.301 20.871 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.299 22.671 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.564 23.358 -1.287 1.00 0.00 H new ATOM 1085 N CYS A 76 7.033 19.927 -4.989 1.00 0.00 N ATOM 1086 CA CYS A 76 7.469 18.698 -5.630 1.00 0.00 C ATOM 1087 C CYS A 76 7.385 18.891 -7.145 1.00 0.00 C ATOM 1088 O CYS A 76 6.304 18.803 -7.727 1.00 0.00 O ATOM 1089 CB CYS A 76 6.650 17.494 -5.162 1.00 0.00 C ATOM 1090 SG CYS A 76 6.054 17.596 -3.434 1.00 0.00 S ATOM 0 H CYS A 76 6.108 20.250 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 76 8.500 18.484 -5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.790 17.379 -5.822 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.257 16.595 -5.270 1.00 0.00 H new ATOM 1095 N PRO A 77 8.569 19.158 -7.758 1.00 0.00 N ATOM 1096 CA PRO A 77 8.639 19.365 -9.194 1.00 0.00 C ATOM 1097 C PRO A 77 8.511 18.038 -9.946 1.00 0.00 C ATOM 1098 O PRO A 77 8.194 17.011 -9.348 1.00 0.00 O ATOM 1099 CB PRO A 77 9.974 20.053 -9.428 1.00 0.00 C ATOM 1100 CG PRO A 77 10.803 19.789 -8.182 1.00 0.00 C ATOM 1101 CD PRO A 77 9.868 19.271 -7.101 1.00 0.00 C ATOM 0 HA PRO A 77 7.819 19.976 -9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.467 19.657 -10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.839 21.123 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.585 19.060 -8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.299 20.702 -7.853 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.202 18.307 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.825 19.955 -6.253 1.00 0.00 H new ATOM 1109 N LYS A 78 8.762 18.104 -11.245 1.00 0.00 N ATOM 1110 CA LYS A 78 8.678 16.921 -12.084 1.00 0.00 C ATOM 1111 C LYS A 78 9.724 15.902 -11.628 1.00 0.00 C ATOM 1112 O LYS A 78 9.381 14.786 -11.240 1.00 0.00 O ATOM 1113 CB LYS A 78 8.795 17.302 -13.561 1.00 0.00 C ATOM 1114 CG LYS A 78 8.670 16.069 -14.458 1.00 0.00 C ATOM 1115 CD LYS A 78 9.450 16.256 -15.760 1.00 0.00 C ATOM 1116 CE LYS A 78 10.298 15.022 -16.073 1.00 0.00 C ATOM 1117 NZ LYS A 78 9.655 14.204 -17.126 1.00 0.00 N ATOM 0 H LYS A 78 9.024 18.958 -11.737 1.00 0.00 H new ATOM 0 HA LYS A 78 7.702 16.447 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.018 18.022 -13.817 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.753 17.790 -13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.043 15.191 -13.930 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.620 15.884 -14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.757 16.443 -16.580 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.093 17.133 -15.680 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.292 15.330 -16.399 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.429 14.425 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.244 13.370 -17.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.717 13.895 -16.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.552 14.771 -17.992 1.00 0.00 H new ATOM 1131 N HIS A 79 10.979 16.322 -11.689 1.00 0.00 N ATOM 1132 CA HIS A 79 12.077 15.460 -11.286 1.00 0.00 C ATOM 1133 C HIS A 79 12.056 15.276 -9.768 1.00 0.00 C ATOM 1134 O HIS A 79 11.116 15.705 -9.100 1.00 0.00 O ATOM 1135 CB HIS A 79 13.412 16.005 -11.798 1.00 0.00 C ATOM 1136 CG HIS A 79 14.099 15.108 -12.800 1.00 0.00 C ATOM 1137 ND1 HIS A 79 14.750 15.594 -13.920 1.00 0.00 N ATOM 1138 CD2 HIS A 79 14.230 13.750 -12.837 1.00 0.00 C ATOM 1139 CE1 HIS A 79 15.246 14.567 -14.595 1.00 0.00 C ATOM 1140 NE2 HIS A 79 14.922 13.426 -13.922 1.00 0.00 N ATOM 0 H HIS A 79 11.260 17.248 -12.011 1.00 0.00 H new ATOM 0 HA HIS A 79 11.955 14.476 -11.738 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.243 16.980 -12.255 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.078 16.161 -10.949 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.837 13.057 -12.108 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.808 14.624 -15.516 1.00 0.00 H new ATOM 0 HE2 HIS A 79 15.171 12.479 -14.206 1.00 0.00 H new ATOM 1148 N GLU A 80 13.102 14.636 -9.266 1.00 0.00 N ATOM 1149 CA GLU A 80 13.215 14.390 -7.839 1.00 0.00 C ATOM 1150 C GLU A 80 12.164 13.372 -7.391 1.00 0.00 C ATOM 1151 O GLU A 80 11.069 13.318 -7.949 1.00 0.00 O ATOM 1152 CB GLU A 80 13.089 15.692 -7.046 1.00 0.00 C ATOM 1153 CG GLU A 80 14.448 16.138 -6.503 1.00 0.00 C ATOM 1154 CD GLU A 80 15.049 17.245 -7.371 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.689 18.417 -7.125 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.854 16.895 -8.260 1.00 0.00 O ATOM 0 H GLU A 80 13.879 14.280 -9.823 1.00 0.00 H new ATOM 0 HA GLU A 80 14.203 13.976 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.675 16.472 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.391 15.553 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.335 16.495 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.128 15.287 -6.471 1.00 0.00 H new ATOM 1163 N HIS A 81 12.534 12.589 -6.388 1.00 0.00 N ATOM 1164 CA HIS A 81 11.637 11.576 -5.859 1.00 0.00 C ATOM 1165 C HIS A 81 11.041 12.059 -4.536 1.00 0.00 C ATOM 1166 O HIS A 81 9.840 11.921 -4.305 1.00 0.00 O ATOM 1167 CB HIS A 81 12.354 10.230 -5.730 1.00 0.00 C ATOM 1168 CG HIS A 81 13.695 10.312 -5.041 1.00 0.00 C ATOM 1169 ND1 HIS A 81 14.862 10.900 -5.431 1.00 0.00 N flip ATOM 1170 CD2 HIS A 81 13.938 9.743 -3.803 1.00 0.00 C flip ATOM 1171 CE1 HIS A 81 15.769 10.702 -4.481 1.00 0.00 C flip ATOM 1172 NE2 HIS A 81 15.197 9.985 -3.472 1.00 0.00 N flip ATOM 0 H HIS A 81 13.443 12.636 -5.928 1.00 0.00 H new ATOM 0 HA HIS A 81 10.812 11.418 -6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.715 9.541 -5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.494 9.807 -6.725 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.013 11.406 -6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.222 9.195 -3.208 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.791 11.051 -4.504 1.00 0.00 H new ATOM 1180 N LYS A 82 11.906 12.615 -3.701 1.00 0.00 N ATOM 1181 CA LYS A 82 11.480 13.119 -2.407 1.00 0.00 C ATOM 1182 C LYS A 82 12.414 14.250 -1.972 1.00 0.00 C ATOM 1183 O LYS A 82 13.545 14.000 -1.555 1.00 0.00 O ATOM 1184 CB LYS A 82 11.382 11.978 -1.393 1.00 0.00 C ATOM 1185 CG LYS A 82 12.719 11.245 -1.261 1.00 0.00 C ATOM 1186 CD LYS A 82 13.355 11.506 0.106 1.00 0.00 C ATOM 1187 CE LYS A 82 14.834 11.117 0.106 1.00 0.00 C ATOM 1188 NZ LYS A 82 15.077 10.001 1.047 1.00 0.00 N ATOM 0 H LYS A 82 12.901 12.728 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 82 10.477 13.541 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.083 12.374 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.608 11.276 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.566 10.174 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.397 11.572 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.253 12.560 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.826 10.938 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.139 10.826 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.442 11.977 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.086 9.750 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.805 10.291 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.511 9.176 0.761 1.00 0.00 H new ATOM 1202 N SER A 83 11.908 15.469 -2.083 1.00 0.00 N ATOM 1203 CA SER A 83 12.683 16.639 -1.706 1.00 0.00 C ATOM 1204 C SER A 83 12.378 17.025 -0.257 1.00 0.00 C ATOM 1205 O SER A 83 11.411 16.539 0.328 1.00 0.00 O ATOM 1206 CB SER A 83 12.394 17.815 -2.640 1.00 0.00 C ATOM 1207 OG SER A 83 11.690 18.862 -1.979 1.00 0.00 O ATOM 0 H SER A 83 10.970 15.672 -2.429 1.00 0.00 H new ATOM 0 HA SER A 83 13.741 16.391 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.333 18.203 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.809 17.466 -3.491 1.00 0.00 H new ATOM 0 HG SER A 83 12.261 19.657 -1.924 1.00 0.00 H new ATOM 1213 N ASP A 84 13.221 17.894 0.280 1.00 0.00 N ATOM 1214 CA ASP A 84 13.053 18.351 1.649 1.00 0.00 C ATOM 1215 C ASP A 84 11.824 19.258 1.733 1.00 0.00 C ATOM 1216 O ASP A 84 11.058 19.184 2.693 1.00 0.00 O ATOM 1217 CB ASP A 84 14.268 19.156 2.114 1.00 0.00 C ATOM 1218 CG ASP A 84 14.029 20.037 3.342 1.00 0.00 C ATOM 1219 OD1 ASP A 84 13.931 19.458 4.445 1.00 0.00 O ATOM 1220 OD2 ASP A 84 13.949 21.269 3.150 1.00 0.00 O ATOM 0 H ASP A 84 14.022 18.294 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 84 12.937 17.474 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.081 18.464 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.602 19.788 1.292 1.00 0.00 H new ATOM 1225 N THR A 85 11.674 20.093 0.715 1.00 0.00 N ATOM 1226 CA THR A 85 10.551 21.013 0.662 1.00 0.00 C ATOM 1227 C THR A 85 9.261 20.263 0.324 1.00 0.00 C ATOM 1228 O THR A 85 8.165 20.764 0.567 1.00 0.00 O ATOM 1229 CB THR A 85 10.892 22.117 -0.342 1.00 0.00 C ATOM 1230 OG1 THR A 85 10.134 23.239 0.105 1.00 0.00 O ATOM 1231 CG2 THR A 85 10.341 21.829 -1.739 1.00 0.00 C ATOM 0 H THR A 85 12.311 20.151 -0.079 1.00 0.00 H new ATOM 0 HA THR A 85 10.375 21.477 1.632 1.00 0.00 H new ATOM 0 HB THR A 85 11.974 22.236 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.297 24.001 -0.489 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.611 22.643 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.763 20.895 -2.111 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.255 21.743 -1.691 1.00 0.00 H new ATOM 1239 N CYS A 86 9.436 19.072 -0.231 1.00 0.00 N ATOM 1240 CA CYS A 86 8.299 18.247 -0.604 1.00 0.00 C ATOM 1241 C CYS A 86 7.829 17.487 0.637 1.00 0.00 C ATOM 1242 O CYS A 86 6.756 17.765 1.170 1.00 0.00 O ATOM 1243 CB CYS A 86 8.642 17.301 -1.757 1.00 0.00 C ATOM 1244 SG CYS A 86 7.226 16.343 -2.410 1.00 0.00 S ATOM 0 H CYS A 86 10.347 18.659 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 86 7.490 18.880 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.074 17.884 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.410 16.604 -1.421 1.00 0.00 H new ATOM 1249 N ARG A 87 8.655 16.542 1.062 1.00 0.00 N ATOM 1250 CA ARG A 87 8.337 15.740 2.231 1.00 0.00 C ATOM 1251 C ARG A 87 7.776 16.626 3.346 1.00 0.00 C ATOM 1252 O ARG A 87 6.986 16.168 4.169 1.00 0.00 O ATOM 1253 CB ARG A 87 9.575 15.004 2.748 1.00 0.00 C ATOM 1254 CG ARG A 87 10.105 14.022 1.701 1.00 0.00 C ATOM 1255 CD ARG A 87 11.205 13.136 2.289 1.00 0.00 C ATOM 1256 NE ARG A 87 10.665 12.334 3.409 1.00 0.00 N ATOM 1257 CZ ARG A 87 10.636 12.747 4.683 1.00 0.00 C ATOM 1258 NH1 ARG A 87 11.115 13.955 5.007 1.00 0.00 N ATOM 1259 NH2 ARG A 87 10.126 11.951 5.634 1.00 0.00 N ATOM 0 H ARG A 87 9.544 16.314 0.617 1.00 0.00 H new ATOM 0 HA ARG A 87 7.589 15.005 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.352 15.725 3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.327 14.467 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.289 13.400 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.495 14.573 0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.603 12.477 1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.032 13.753 2.639 1.00 0.00 H new ATOM 0 HE ARG A 87 10.291 11.409 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.502 14.561 4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.093 14.269 5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.760 11.031 5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.104 12.265 6.604 1.00 0.00 H new ATOM 1273 N ALA A 88 8.208 17.878 3.337 1.00 0.00 N ATOM 1274 CA ALA A 88 7.759 18.832 4.337 1.00 0.00 C ATOM 1275 C ALA A 88 6.317 19.243 4.033 1.00 0.00 C ATOM 1276 O ALA A 88 5.471 19.258 4.925 1.00 0.00 O ATOM 1277 CB ALA A 88 8.713 20.029 4.366 1.00 0.00 C ATOM 0 H ALA A 88 8.864 18.254 2.653 1.00 0.00 H new ATOM 0 HA ALA A 88 7.771 18.381 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.376 20.745 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.718 19.688 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.725 20.508 3.387 1.00 0.00 H new ATOM 1283 N CYS A 89 6.082 19.566 2.769 1.00 0.00 N ATOM 1284 CA CYS A 89 4.756 19.976 2.336 1.00 0.00 C ATOM 1285 C CYS A 89 3.778 18.841 2.646 1.00 0.00 C ATOM 1286 O CYS A 89 2.834 19.022 3.413 1.00 0.00 O ATOM 1287 CB CYS A 89 4.738 20.357 0.855 1.00 0.00 C ATOM 1288 SG CYS A 89 3.082 20.336 0.077 1.00 0.00 S ATOM 0 H CYS A 89 6.787 19.552 2.032 1.00 0.00 H new ATOM 0 HA CYS A 89 4.454 20.872 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.162 21.355 0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.388 19.673 0.310 1.00 0.00 H new ATOM 1293 N MET A 90 4.037 17.695 2.032 1.00 0.00 N ATOM 1294 CA MET A 90 3.191 16.531 2.232 1.00 0.00 C ATOM 1295 C MET A 90 3.043 16.210 3.721 1.00 0.00 C ATOM 1296 O MET A 90 2.090 15.545 4.125 1.00 0.00 O ATOM 1297 CB MET A 90 3.798 15.328 1.508 1.00 0.00 C ATOM 1298 CG MET A 90 4.846 14.635 2.381 1.00 0.00 C ATOM 1299 SD MET A 90 4.143 13.182 3.143 1.00 0.00 S ATOM 1300 CE MET A 90 3.866 12.176 1.695 1.00 0.00 C ATOM 0 H MET A 90 4.821 17.548 1.396 1.00 0.00 H new ATOM 0 HA MET A 90 2.203 16.749 1.827 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.011 14.620 1.248 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.255 15.654 0.574 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.709 14.357 1.776 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.203 15.321 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.966 11.123 1.959 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.863 12.360 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.600 12.429 0.930 1.00 0.00 H new ATOM 1310 N LYS A 91 4.000 16.697 4.497 1.00 0.00 N ATOM 1311 CA LYS A 91 3.988 16.471 5.932 1.00 0.00 C ATOM 1312 C LYS A 91 2.637 16.907 6.502 1.00 0.00 C ATOM 1313 O LYS A 91 1.962 16.128 7.173 1.00 0.00 O ATOM 1314 CB LYS A 91 5.185 17.158 6.593 1.00 0.00 C ATOM 1315 CG LYS A 91 5.577 16.449 7.890 1.00 0.00 C ATOM 1316 CD LYS A 91 6.971 16.878 8.351 1.00 0.00 C ATOM 1317 CE LYS A 91 6.903 17.623 9.686 1.00 0.00 C ATOM 1318 NZ LYS A 91 8.169 17.461 10.434 1.00 0.00 N ATOM 0 H LYS A 91 4.789 17.248 4.159 1.00 0.00 H new ATOM 0 HA LYS A 91 4.099 15.409 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.031 17.162 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.941 18.199 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.847 16.676 8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.556 15.370 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.610 16.001 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.426 17.519 7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.711 18.681 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.072 17.243 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.106 17.972 11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.336 16.451 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.956 17.845 9.872 1.00 0.00 H new ATOM 1332 N THR A 92 2.283 18.150 6.213 1.00 0.00 N ATOM 1333 CA THR A 92 1.024 18.699 6.689 1.00 0.00 C ATOM 1334 C THR A 92 -0.042 18.615 5.595 1.00 0.00 C ATOM 1335 O THR A 92 -1.089 17.999 5.789 1.00 0.00 O ATOM 1336 CB THR A 92 1.284 20.127 7.175 1.00 0.00 C ATOM 1337 OG1 THR A 92 1.906 19.953 8.445 1.00 0.00 O ATOM 1338 CG2 THR A 92 -0.008 20.882 7.492 1.00 0.00 C ATOM 0 H THR A 92 2.845 18.793 5.655 1.00 0.00 H new ATOM 0 HA THR A 92 0.632 18.121 7.526 1.00 0.00 H new ATOM 0 HB THR A 92 1.845 20.672 6.416 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.111 20.830 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.233 21.889 7.832 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.625 20.940 6.595 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.554 20.356 8.275 1.00 0.00 H new ATOM 1346 N ASN A 93 0.262 19.242 4.467 1.00 0.00 N ATOM 1347 CA ASN A 93 -0.657 19.245 3.342 1.00 0.00 C ATOM 1348 C ASN A 93 -1.230 17.839 3.153 1.00 0.00 C ATOM 1349 O ASN A 93 -2.446 17.653 3.162 1.00 0.00 O ATOM 1350 CB ASN A 93 0.057 19.643 2.049 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.029 21.153 1.817 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.786 21.637 0.992 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.786 21.866 2.588 1.00 0.00 N ATOM 0 H ASN A 93 1.132 19.751 4.309 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.447 19.965 3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.102 19.338 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.390 19.116 1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.803 22.883 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.394 21.396 3.259 1.00 0.00 H new ATOM 1360 N CYS A 94 -0.326 16.884 2.985 1.00 0.00 N ATOM 1361 CA CYS A 94 -0.727 15.501 2.793 1.00 0.00 C ATOM 1362 C CYS A 94 -0.763 14.817 4.162 1.00 0.00 C ATOM 1363 O CYS A 94 -1.638 15.101 4.978 1.00 0.00 O ATOM 1364 CB CYS A 94 0.200 14.774 1.817 1.00 0.00 C ATOM 1365 SG CYS A 94 -0.212 13.013 1.533 1.00 0.00 S ATOM 0 H CYS A 94 0.682 17.041 2.978 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.720 15.466 2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.179 15.296 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.221 14.838 2.192 1.00 0.00 H new ATOM 1370 N LYS A 95 0.199 13.930 4.370 1.00 0.00 N ATOM 1371 CA LYS A 95 0.288 13.204 5.626 1.00 0.00 C ATOM 1372 C LYS A 95 1.675 13.419 6.236 1.00 0.00 C ATOM 1373 O LYS A 95 1.861 13.243 7.440 1.00 0.00 O ATOM 1374 CB LYS A 95 -0.072 11.732 5.420 1.00 0.00 C ATOM 1375 CG LYS A 95 1.074 10.976 4.744 1.00 0.00 C ATOM 1376 CD LYS A 95 1.468 9.738 5.553 1.00 0.00 C ATOM 1377 CE LYS A 95 2.172 8.707 4.669 1.00 0.00 C ATOM 1378 NZ LYS A 95 2.539 7.511 5.460 1.00 0.00 N ATOM 0 H LYS A 95 0.923 13.698 3.690 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.439 13.588 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.299 11.272 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.972 11.656 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.775 10.678 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.936 11.635 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.125 10.029 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.579 9.293 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.519 8.419 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.066 9.147 4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.016 6.821 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.179 7.788 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.680 7.082 5.860 1.00 0.00 H new TER 1392 LYS A 95