USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 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 51 TYR OH : rot 180:sc= -0.717 USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= -0.169 USER MOD Set 2.1: A 20 THR OG1 : rot 94:sc= 0.199 USER MOD Set 2.2: A 23 CYS SG : rot -68:sc= 1.43 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.217 (180deg=-0.308) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.4) USER MOD Single : A 9 SER OG : rot -82:sc= 1.19 USER MOD Single : A 22 MET CE :methyl -162:sc= -0.0146 (180deg=-0.471) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 31 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.5!) USER MOD Single : A 33 SER OG : rot -20:sc= 1.17 USER MOD Single : A 34 CYS SG : rot 31:sc= 0.14 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0834 USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= 0.619 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 50 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.021) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.39) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2 K(o=-2,f=-2.6) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -160:sc= -0.204 USER MOD Single : A 75 HIS :FLIP no HE2:sc= 0.0289 F(o=-0.54,f=0.029) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.198 7.396 -6.658 1.00 0.00 N ATOM 2 CA MET A 1 -4.717 6.185 -5.944 1.00 0.00 C ATOM 3 C MET A 1 -4.873 6.337 -4.435 1.00 0.00 C ATOM 4 O MET A 1 -4.752 7.438 -3.895 1.00 0.00 O ATOM 5 CB MET A 1 -3.247 5.960 -6.303 1.00 0.00 C ATOM 6 CG MET A 1 -2.849 4.493 -6.346 1.00 0.00 C ATOM 7 SD MET A 1 -3.382 3.673 -7.861 1.00 0.00 S ATOM 8 CE MET A 1 -3.725 2.025 -7.250 1.00 0.00 C ATOM 0 H1 MET A 1 -5.080 7.265 -7.683 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.204 7.550 -6.442 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.648 8.223 -6.349 1.00 0.00 H new ATOM 0 HA MET A 1 -5.315 5.327 -6.251 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.046 6.411 -7.275 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.621 6.477 -5.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.766 4.412 -6.255 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.280 3.978 -5.488 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.585 1.613 -7.778 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.857 1.387 -7.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.942 2.070 -6.183 1.00 0.00 H new ATOM 20 N ARG A 2 -5.141 5.225 -3.759 1.00 0.00 N ATOM 21 CA ARG A 2 -5.315 5.234 -2.311 1.00 0.00 C ATOM 22 C ARG A 2 -4.662 4.011 -1.676 1.00 0.00 C ATOM 23 O ARG A 2 -4.613 2.940 -2.278 1.00 0.00 O ATOM 24 CB ARG A 2 -6.803 5.272 -1.955 1.00 0.00 C ATOM 25 CG ARG A 2 -7.598 6.283 -2.764 1.00 0.00 C ATOM 26 CD ARG A 2 -9.090 5.998 -2.700 1.00 0.00 C ATOM 27 NE ARG A 2 -9.777 6.395 -3.927 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.080 6.220 -4.136 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.840 5.659 -3.205 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.625 6.609 -5.281 1.00 0.00 N ATOM 0 H ARG A 2 -5.242 4.306 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.830 6.128 -1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.230 4.281 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.908 5.504 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.402 7.287 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.267 6.261 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.248 4.934 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.524 6.529 -1.853 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.226 6.832 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.427 5.359 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.838 5.528 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.046 7.042 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.623 6.475 -5.442 1.00 0.00 H new ATOM 44 N ILE A 3 -4.163 4.179 -0.454 1.00 0.00 N ATOM 45 CA ILE A 3 -3.512 3.092 0.272 1.00 0.00 C ATOM 46 C ILE A 3 -4.368 1.829 0.269 1.00 0.00 C ATOM 47 O ILE A 3 -3.848 0.718 0.366 1.00 0.00 O ATOM 48 CB ILE A 3 -3.207 3.503 1.725 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.471 2.374 2.464 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.489 3.900 2.447 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.381 1.381 3.162 1.00 0.00 C ATOM 0 H ILE A 3 -4.197 5.062 0.056 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.575 2.880 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.549 4.372 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.847 1.836 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.802 2.816 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.255 4.187 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.952 4.741 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.178 3.056 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.778 0.620 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.987 1.902 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.033 0.907 2.428 1.00 0.00 H new ATOM 63 N ASP A 4 -5.679 2.004 0.155 1.00 0.00 N ATOM 64 CA ASP A 4 -6.592 0.871 0.136 1.00 0.00 C ATOM 65 C ASP A 4 -6.428 0.068 -1.152 1.00 0.00 C ATOM 66 O ASP A 4 -6.260 -1.146 -1.116 1.00 0.00 O ATOM 67 CB ASP A 4 -8.040 1.346 0.280 1.00 0.00 C ATOM 68 CG ASP A 4 -8.372 2.492 -0.656 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.751 2.221 -1.814 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.254 3.660 -0.229 1.00 0.00 O ATOM 0 H ASP A 4 -6.131 2.915 0.075 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.350 0.226 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.714 0.512 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.215 1.659 1.309 1.00 0.00 H new ATOM 75 N LYS A 5 -6.486 0.753 -2.288 1.00 0.00 N ATOM 76 CA LYS A 5 -6.348 0.100 -3.587 1.00 0.00 C ATOM 77 C LYS A 5 -4.891 0.061 -4.062 1.00 0.00 C ATOM 78 O LYS A 5 -4.595 -0.511 -5.111 1.00 0.00 O ATOM 79 CB LYS A 5 -7.207 0.820 -4.625 1.00 0.00 C ATOM 80 CG LYS A 5 -8.654 0.355 -4.647 1.00 0.00 C ATOM 81 CD LYS A 5 -9.601 1.500 -4.967 1.00 0.00 C ATOM 82 CE LYS A 5 -10.996 1.240 -4.420 1.00 0.00 C ATOM 83 NZ LYS A 5 -11.823 0.438 -5.364 1.00 0.00 N ATOM 0 H LYS A 5 -6.628 1.762 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.687 -0.930 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.182 1.891 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.771 0.669 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.772 -0.435 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.914 -0.075 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.210 2.426 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.653 1.640 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.920 0.715 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.491 2.191 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.766 0.283 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.917 0.950 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.364 -0.480 -5.534 1.00 0.00 H new ATOM 97 N PHE A 6 -3.991 0.689 -3.310 1.00 0.00 N ATOM 98 CA PHE A 6 -2.581 0.739 -3.692 1.00 0.00 C ATOM 99 C PHE A 6 -1.830 -0.545 -3.341 1.00 0.00 C ATOM 100 O PHE A 6 -1.428 -1.297 -4.230 1.00 0.00 O ATOM 101 CB PHE A 6 -1.895 1.934 -3.025 1.00 0.00 C ATOM 102 CG PHE A 6 -0.591 2.312 -3.669 1.00 0.00 C ATOM 103 CD1 PHE A 6 0.497 1.455 -3.621 1.00 0.00 C ATOM 104 CD2 PHE A 6 -0.455 3.526 -4.323 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.696 1.800 -4.215 1.00 0.00 C ATOM 106 CE2 PHE A 6 0.742 3.878 -4.918 1.00 0.00 C ATOM 107 CZ PHE A 6 1.819 3.014 -4.864 1.00 0.00 C ATOM 0 H PHE A 6 -4.210 1.168 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.552 0.849 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.567 2.791 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.719 1.702 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.407 0.506 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.294 4.205 -4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.536 1.122 -4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.835 4.827 -5.425 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.755 3.287 -5.328 1.00 0.00 H new ATOM 117 N LEU A 7 -1.622 -0.782 -2.050 1.00 0.00 N ATOM 118 CA LEU A 7 -0.894 -1.964 -1.599 1.00 0.00 C ATOM 119 C LEU A 7 -1.742 -3.226 -1.709 1.00 0.00 C ATOM 120 O LEU A 7 -1.231 -4.340 -1.595 1.00 0.00 O ATOM 121 CB LEU A 7 -0.412 -1.773 -0.159 1.00 0.00 C ATOM 122 CG LEU A 7 -1.514 -1.536 0.875 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.207 -2.843 1.227 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.937 -0.887 2.124 1.00 0.00 C ATOM 0 H LEU A 7 -1.946 -0.173 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.030 -2.089 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.156 -2.655 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.275 -0.928 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.253 -0.861 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.988 -2.654 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.652 -3.272 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.479 -3.541 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.733 -0.725 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.179 -1.540 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.485 0.069 1.861 1.00 0.00 H new ATOM 136 N GLN A 8 -3.037 -3.049 -1.932 1.00 0.00 N ATOM 137 CA GLN A 8 -3.949 -4.175 -2.058 1.00 0.00 C ATOM 138 C GLN A 8 -4.059 -4.634 -3.512 1.00 0.00 C ATOM 139 O GLN A 8 -4.460 -5.765 -3.786 1.00 0.00 O ATOM 140 CB GLN A 8 -5.323 -3.787 -1.521 1.00 0.00 C ATOM 141 CG GLN A 8 -5.302 -3.371 -0.059 1.00 0.00 C ATOM 142 CD GLN A 8 -6.691 -3.273 0.541 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.682 -3.627 -0.098 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.770 -2.788 1.774 1.00 0.00 N ATOM 0 H GLN A 8 -3.479 -2.135 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.555 -5.006 -1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.721 -2.967 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.004 -4.630 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.714 -4.091 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.802 -2.407 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.922 -2.507 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.678 -2.697 2.229 1.00 0.00 H new ATOM 153 N SER A 9 -3.704 -3.749 -4.441 1.00 0.00 N ATOM 154 CA SER A 9 -3.764 -4.064 -5.864 1.00 0.00 C ATOM 155 C SER A 9 -2.461 -4.699 -6.340 1.00 0.00 C ATOM 156 O SER A 9 -2.473 -5.654 -7.117 1.00 0.00 O ATOM 157 CB SER A 9 -4.050 -2.800 -6.676 1.00 0.00 C ATOM 158 OG SER A 9 -3.023 -1.839 -6.503 1.00 0.00 O ATOM 0 H SER A 9 -3.372 -2.808 -4.232 1.00 0.00 H new ATOM 0 HA SER A 9 -4.573 -4.779 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.140 -3.055 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.005 -2.375 -6.369 1.00 0.00 H new ATOM 0 HG SER A 9 -3.177 -1.342 -5.672 1.00 0.00 H new ATOM 164 N VAL A 10 -1.340 -4.162 -5.869 1.00 0.00 N ATOM 165 CA VAL A 10 -0.026 -4.674 -6.247 1.00 0.00 C ATOM 166 C VAL A 10 0.071 -6.180 -6.022 1.00 0.00 C ATOM 167 O VAL A 10 0.847 -6.867 -6.686 1.00 0.00 O ATOM 168 CB VAL A 10 1.096 -3.977 -5.456 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.252 -2.532 -5.908 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.822 -4.049 -3.961 1.00 0.00 C ATOM 0 H VAL A 10 -1.315 -3.372 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 10 0.098 -4.462 -7.309 1.00 0.00 H new ATOM 0 HB VAL A 10 2.032 -4.499 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.050 -2.056 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.501 -2.507 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.318 -1.996 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.626 -3.551 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.124 -3.555 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.768 -5.093 -3.651 1.00 0.00 H new ATOM 180 N GLY A 11 -0.720 -6.687 -5.082 1.00 0.00 N ATOM 181 CA GLY A 11 -0.705 -8.108 -4.787 1.00 0.00 C ATOM 182 C GLY A 11 -0.155 -8.418 -3.407 1.00 0.00 C ATOM 183 O GLY A 11 -0.061 -9.583 -3.020 1.00 0.00 O ATOM 0 H GLY A 11 -1.371 -6.139 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.719 -8.501 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.104 -8.623 -5.536 1.00 0.00 H new ATOM 187 N LEU A 12 0.210 -7.379 -2.661 1.00 0.00 N ATOM 188 CA LEU A 12 0.752 -7.556 -1.319 1.00 0.00 C ATOM 189 C LEU A 12 -0.246 -8.283 -0.421 1.00 0.00 C ATOM 190 O LEU A 12 0.109 -9.235 0.274 1.00 0.00 O ATOM 191 CB LEU A 12 1.116 -6.199 -0.710 1.00 0.00 C ATOM 192 CG LEU A 12 2.615 -5.958 -0.519 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.925 -4.470 -0.552 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.090 -6.574 0.789 1.00 0.00 C ATOM 0 H LEU A 12 0.140 -6.407 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 12 1.653 -8.164 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.715 -5.412 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.622 -6.107 0.257 1.00 0.00 H new ATOM 0 HG LEU A 12 3.149 -6.437 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.996 -4.318 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.620 -4.056 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.382 -3.967 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.158 -6.394 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.550 -6.123 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.903 -7.648 0.775 1.00 0.00 H new ATOM 206 N VAL A 13 -1.495 -7.828 -0.443 1.00 0.00 N ATOM 207 CA VAL A 13 -2.543 -8.436 0.367 1.00 0.00 C ATOM 208 C VAL A 13 -3.711 -8.896 -0.498 1.00 0.00 C ATOM 209 O VAL A 13 -4.009 -8.292 -1.529 1.00 0.00 O ATOM 210 CB VAL A 13 -3.067 -7.457 1.436 1.00 0.00 C ATOM 211 CG1 VAL A 13 -2.110 -7.390 2.616 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.282 -6.074 0.837 1.00 0.00 C ATOM 0 H VAL A 13 -1.805 -7.041 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.098 -9.299 0.861 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.027 -7.825 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.498 -6.694 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.012 -8.380 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.133 -7.048 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.652 -5.397 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.338 -5.696 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.011 -6.137 0.029 1.00 0.00 H new ATOM 337 N THR A 20 -13.240 -2.151 4.553 1.00 0.00 N ATOM 338 CA THR A 20 -11.849 -1.840 4.861 1.00 0.00 C ATOM 339 C THR A 20 -11.582 -1.964 6.358 1.00 0.00 C ATOM 340 O THR A 20 -11.980 -1.103 7.143 1.00 0.00 O ATOM 341 CB THR A 20 -11.504 -0.428 4.385 1.00 0.00 C ATOM 342 OG1 THR A 20 -12.408 0.519 4.926 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.532 -0.279 2.879 1.00 0.00 C ATOM 0 HA THR A 20 -11.217 -2.558 4.337 1.00 0.00 H new ATOM 0 HB THR A 20 -10.487 -0.248 4.733 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.035 0.892 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.278 0.746 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.809 -0.961 2.432 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.530 -0.515 2.509 1.00 0.00 H new ATOM 351 N ASP A 21 -10.907 -3.042 6.748 1.00 0.00 N ATOM 352 CA ASP A 21 -10.589 -3.278 8.151 1.00 0.00 C ATOM 353 C ASP A 21 -9.173 -2.812 8.476 1.00 0.00 C ATOM 354 O ASP A 21 -8.885 -2.406 9.601 1.00 0.00 O ATOM 355 CB ASP A 21 -10.740 -4.763 8.487 1.00 0.00 C ATOM 356 CG ASP A 21 -11.118 -4.993 9.937 1.00 0.00 C ATOM 357 OD1 ASP A 21 -10.203 -5.107 10.779 1.00 0.00 O ATOM 358 OD2 ASP A 21 -12.331 -5.059 10.230 1.00 0.00 O ATOM 0 H ASP A 21 -10.570 -3.765 6.112 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.288 -2.702 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.501 -5.203 7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.804 -5.278 8.273 1.00 0.00 H new ATOM 363 N MET A 22 -8.292 -2.876 7.481 1.00 0.00 N ATOM 364 CA MET A 22 -6.904 -2.461 7.658 1.00 0.00 C ATOM 365 C MET A 22 -6.819 -1.020 8.157 1.00 0.00 C ATOM 366 O MET A 22 -5.830 -0.624 8.774 1.00 0.00 O ATOM 367 CB MET A 22 -6.138 -2.602 6.342 1.00 0.00 C ATOM 368 CG MET A 22 -4.629 -2.673 6.519 1.00 0.00 C ATOM 369 SD MET A 22 -3.762 -2.965 4.966 1.00 0.00 S ATOM 370 CE MET A 22 -3.018 -4.562 5.288 1.00 0.00 C ATOM 0 H MET A 22 -8.515 -3.211 6.544 1.00 0.00 H new ATOM 0 HA MET A 22 -6.452 -3.110 8.408 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.478 -3.501 5.828 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.380 -1.757 5.698 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.274 -1.741 6.959 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.386 -3.470 7.222 1.00 0.00 H new ATOM 0 HE1 MET A 22 -2.209 -4.736 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.622 -4.581 6.303 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.771 -5.343 5.178 1.00 0.00 H new ATOM 380 N CYS A 23 -7.860 -0.240 7.883 1.00 0.00 N ATOM 381 CA CYS A 23 -7.901 1.157 8.301 1.00 0.00 C ATOM 382 C CYS A 23 -8.234 1.285 9.787 1.00 0.00 C ATOM 383 O CYS A 23 -7.979 2.323 10.399 1.00 0.00 O ATOM 384 CB CYS A 23 -8.929 1.926 7.467 1.00 0.00 C ATOM 385 SG CYS A 23 -10.642 1.423 7.757 1.00 0.00 S ATOM 0 H CYS A 23 -8.687 -0.552 7.373 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.911 1.584 8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.833 2.990 7.683 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.697 1.793 6.410 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.822 0.216 7.308 1.00 0.00 H new ATOM 391 N ASN A 24 -8.808 0.232 10.363 1.00 0.00 N ATOM 392 CA ASN A 24 -9.175 0.243 11.775 1.00 0.00 C ATOM 393 C ASN A 24 -8.136 -0.486 12.623 1.00 0.00 C ATOM 394 O ASN A 24 -7.753 -0.012 13.693 1.00 0.00 O ATOM 395 CB ASN A 24 -10.549 -0.400 11.970 1.00 0.00 C ATOM 396 CG ASN A 24 -11.360 0.288 13.051 1.00 0.00 C ATOM 397 OD1 ASN A 24 -10.809 0.820 14.014 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.679 0.281 12.895 1.00 0.00 N ATOM 0 H ASN A 24 -9.028 -0.636 9.875 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.214 1.282 12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.100 -0.367 11.030 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.422 -1.451 12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.277 0.729 13.589 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.094 -0.172 12.081 1.00 0.00 H new ATOM 405 N VAL A 25 -7.687 -1.642 12.144 1.00 0.00 N ATOM 406 CA VAL A 25 -6.697 -2.437 12.864 1.00 0.00 C ATOM 407 C VAL A 25 -5.457 -1.612 13.199 1.00 0.00 C ATOM 408 O VAL A 25 -4.813 -1.828 14.225 1.00 0.00 O ATOM 409 CB VAL A 25 -6.270 -3.675 12.052 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.457 -4.597 11.820 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.643 -3.258 10.729 1.00 0.00 C ATOM 0 H VAL A 25 -7.993 -2.049 11.260 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.172 -2.762 13.789 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.521 -4.221 12.626 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.136 -5.466 11.245 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.856 -4.925 12.780 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.231 -4.063 11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.348 -4.146 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.367 -2.687 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.765 -2.642 10.921 1.00 0.00 H new ATOM 421 N GLY A 26 -5.128 -0.666 12.325 1.00 0.00 N ATOM 422 CA GLY A 26 -3.967 0.176 12.545 1.00 0.00 C ATOM 423 C GLY A 26 -2.847 -0.109 11.564 1.00 0.00 C ATOM 424 O GLY A 26 -1.684 0.190 11.836 1.00 0.00 O ATOM 0 H GLY A 26 -5.645 -0.468 11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.261 1.222 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.602 0.027 13.561 1.00 0.00 H new ATOM 428 N ALA A 27 -3.196 -0.686 10.418 1.00 0.00 N ATOM 429 CA ALA A 27 -2.211 -1.009 9.393 1.00 0.00 C ATOM 430 C ALA A 27 -2.084 0.126 8.384 1.00 0.00 C ATOM 431 O ALA A 27 -1.016 0.346 7.812 1.00 0.00 O ATOM 432 CB ALA A 27 -2.588 -2.305 8.691 1.00 0.00 C ATOM 0 H ALA A 27 -4.154 -0.939 10.176 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.243 -1.141 9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.844 -2.535 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.624 -3.116 9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.566 -2.194 8.223 1.00 0.00 H new ATOM 438 N VAL A 28 -3.182 0.844 8.168 1.00 0.00 N ATOM 439 CA VAL A 28 -3.195 1.957 7.229 1.00 0.00 C ATOM 440 C VAL A 28 -2.591 3.209 7.856 1.00 0.00 C ATOM 441 O VAL A 28 -3.214 3.856 8.699 1.00 0.00 O ATOM 442 CB VAL A 28 -4.627 2.270 6.754 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.616 3.359 5.692 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.302 1.011 6.231 1.00 0.00 C ATOM 0 H VAL A 28 -4.074 0.673 8.632 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.593 1.659 6.371 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.200 2.636 7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.637 3.564 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.176 4.266 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.026 3.028 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.312 1.251 5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.730 0.613 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.348 0.266 7.025 1.00 0.00 H new ATOM 454 N TRP A 29 -1.376 3.547 7.438 1.00 0.00 N ATOM 455 CA TRP A 29 -0.686 4.721 7.958 1.00 0.00 C ATOM 456 C TRP A 29 0.134 5.396 6.863 1.00 0.00 C ATOM 457 O TRP A 29 1.068 4.806 6.319 1.00 0.00 O ATOM 458 CB TRP A 29 0.224 4.329 9.124 1.00 0.00 C ATOM 459 CG TRP A 29 -0.475 4.318 10.448 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.498 3.496 10.830 1.00 0.00 C ATOM 461 CD2 TRP A 29 -0.204 5.168 11.568 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.879 3.786 12.118 1.00 0.00 N ATOM 463 CE2 TRP A 29 -1.099 4.808 12.593 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.710 6.200 11.804 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -1.107 5.442 13.832 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.701 6.829 13.035 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.202 6.447 14.036 1.00 0.00 C ATOM 0 H TRP A 29 -0.848 3.023 6.740 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.437 5.426 8.314 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.640 3.340 8.933 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.062 5.024 9.170 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.942 2.731 10.210 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.622 3.317 12.636 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.410 6.500 11.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.803 5.151 14.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.401 7.628 13.228 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.183 6.957 14.988 1.00 0.00 H new ATOM 478 N LEU A 30 -0.224 6.636 6.541 1.00 0.00 N ATOM 479 CA LEU A 30 0.478 7.390 5.509 1.00 0.00 C ATOM 480 C LEU A 30 1.351 8.479 6.124 1.00 0.00 C ATOM 481 O LEU A 30 0.903 9.235 6.987 1.00 0.00 O ATOM 482 CB LEU A 30 -0.523 8.013 4.534 1.00 0.00 C ATOM 483 CG LEU A 30 -0.037 8.119 3.087 1.00 0.00 C ATOM 484 CD1 LEU A 30 -0.115 6.767 2.397 1.00 0.00 C ATOM 485 CD2 LEU A 30 -0.851 9.156 2.328 1.00 0.00 C ATOM 0 H LEU A 30 -0.995 7.139 6.980 1.00 0.00 H new ATOM 0 HA LEU A 30 1.123 6.698 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.439 7.423 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.780 9.011 4.889 1.00 0.00 H new ATOM 0 HG LEU A 30 1.005 8.438 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.235 6.862 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.512 6.051 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.147 6.417 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.493 9.219 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.902 8.866 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.743 10.128 2.810 1.00 0.00 H new ATOM 497 N ASN A 31 2.599 8.554 5.673 1.00 0.00 N ATOM 498 CA ASN A 31 3.537 9.552 6.177 1.00 0.00 C ATOM 499 C ASN A 31 3.717 9.420 7.686 1.00 0.00 C ATOM 500 O ASN A 31 3.837 10.417 8.397 1.00 0.00 O ATOM 501 CB ASN A 31 3.050 10.960 5.829 1.00 0.00 C ATOM 502 CG ASN A 31 3.231 11.287 4.360 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.020 10.650 3.663 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.500 12.288 3.883 1.00 0.00 N ATOM 0 H ASN A 31 2.985 7.936 4.959 1.00 0.00 H new ATOM 0 HA ASN A 31 4.502 9.380 5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.996 11.052 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.594 11.689 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.580 12.556 2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.858 12.789 4.498 1.00 0.00 H new ATOM 511 N GLY A 32 3.733 8.182 8.169 1.00 0.00 N ATOM 512 CA GLY A 32 3.899 7.943 9.590 1.00 0.00 C ATOM 513 C GLY A 32 2.754 8.506 10.409 1.00 0.00 C ATOM 514 O GLY A 32 2.932 8.867 11.573 1.00 0.00 O ATOM 0 H GLY A 32 3.634 7.340 7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.977 6.871 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.835 8.390 9.924 1.00 0.00 H new ATOM 518 N SER A 33 1.574 8.579 9.801 1.00 0.00 N ATOM 519 CA SER A 33 0.395 9.101 10.480 1.00 0.00 C ATOM 520 C SER A 33 -0.822 8.223 10.208 1.00 0.00 C ATOM 521 O SER A 33 -0.973 7.675 9.116 1.00 0.00 O ATOM 522 CB SER A 33 0.113 10.536 10.030 1.00 0.00 C ATOM 523 OG SER A 33 -0.339 10.569 8.687 1.00 0.00 O ATOM 0 H SER A 33 1.410 8.283 8.839 1.00 0.00 H new ATOM 0 HA SER A 33 0.593 9.097 11.552 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.638 10.984 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.018 11.136 10.127 1.00 0.00 H new ATOM 0 HG SER A 33 -0.084 9.737 8.236 1.00 0.00 H new ATOM 529 N CYS A 34 -1.689 8.095 11.208 1.00 0.00 N ATOM 530 CA CYS A 34 -2.893 7.283 11.075 1.00 0.00 C ATOM 531 C CYS A 34 -3.766 7.787 9.930 1.00 0.00 C ATOM 532 O CYS A 34 -4.016 8.987 9.808 1.00 0.00 O ATOM 533 CB CYS A 34 -3.689 7.296 12.382 1.00 0.00 C ATOM 534 SG CYS A 34 -4.275 8.934 12.872 1.00 0.00 S ATOM 0 H CYS A 34 -1.580 8.543 12.118 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.588 6.260 10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.546 6.631 12.280 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.065 6.892 13.179 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.504 9.649 11.810 1.00 0.00 H new ATOM 540 N ALA A 35 -4.228 6.864 9.094 1.00 0.00 N ATOM 541 CA ALA A 35 -5.072 7.213 7.959 1.00 0.00 C ATOM 542 C ALA A 35 -6.255 6.258 7.840 1.00 0.00 C ATOM 543 O ALA A 35 -6.284 5.208 8.482 1.00 0.00 O ATOM 544 CB ALA A 35 -4.257 7.209 6.674 1.00 0.00 C ATOM 0 H ALA A 35 -4.031 5.867 9.182 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.464 8.216 8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.900 7.471 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.449 7.936 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.837 6.216 6.513 1.00 0.00 H new ATOM 550 N LYS A 36 -7.226 6.629 7.013 1.00 0.00 N ATOM 551 CA LYS A 36 -8.412 5.805 6.810 1.00 0.00 C ATOM 552 C LYS A 36 -8.318 5.033 5.496 1.00 0.00 C ATOM 553 O LYS A 36 -7.250 4.952 4.889 1.00 0.00 O ATOM 554 CB LYS A 36 -9.671 6.675 6.818 1.00 0.00 C ATOM 555 CG LYS A 36 -10.843 6.042 7.552 1.00 0.00 C ATOM 556 CD LYS A 36 -11.010 6.627 8.945 1.00 0.00 C ATOM 557 CE LYS A 36 -12.429 6.444 9.459 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.265 7.652 9.221 1.00 0.00 N ATOM 0 H LYS A 36 -7.215 7.494 6.473 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.472 5.087 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.437 7.633 7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.966 6.882 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.758 6.196 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.689 4.965 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.309 6.147 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.762 7.688 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.885 5.584 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.403 6.225 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.225 7.487 9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.844 8.467 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.311 7.847 8.200 1.00 0.00 H new ATOM 572 N ALA A 37 -9.441 4.468 5.064 1.00 0.00 N ATOM 573 CA ALA A 37 -9.482 3.705 3.823 1.00 0.00 C ATOM 574 C ALA A 37 -9.983 4.561 2.665 1.00 0.00 C ATOM 575 O ALA A 37 -10.556 4.048 1.704 1.00 0.00 O ATOM 576 CB ALA A 37 -10.360 2.475 3.991 1.00 0.00 C ATOM 0 H ALA A 37 -10.333 4.524 5.555 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.466 3.386 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.382 1.914 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.956 1.845 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.372 2.783 4.253 1.00 0.00 H new ATOM 582 N SER A 38 -9.761 5.869 2.762 1.00 0.00 N ATOM 583 CA SER A 38 -10.188 6.795 1.721 1.00 0.00 C ATOM 584 C SER A 38 -9.216 7.965 1.603 1.00 0.00 C ATOM 585 O SER A 38 -9.597 9.062 1.195 1.00 0.00 O ATOM 586 CB SER A 38 -11.594 7.318 2.019 1.00 0.00 C ATOM 587 OG SER A 38 -12.430 6.283 2.508 1.00 0.00 O ATOM 0 H SER A 38 -9.288 6.310 3.551 1.00 0.00 H new ATOM 0 HA SER A 38 -10.200 6.256 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.538 8.122 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.027 7.742 1.113 1.00 0.00 H new ATOM 0 HG SER A 38 -13.323 6.643 2.692 1.00 0.00 H new ATOM 593 N LYS A 39 -7.960 7.724 1.963 1.00 0.00 N ATOM 594 CA LYS A 39 -6.936 8.760 1.897 1.00 0.00 C ATOM 595 C LYS A 39 -6.087 8.604 0.639 1.00 0.00 C ATOM 596 O LYS A 39 -5.285 7.677 0.530 1.00 0.00 O ATOM 597 CB LYS A 39 -6.046 8.706 3.139 1.00 0.00 C ATOM 598 CG LYS A 39 -5.406 10.040 3.487 1.00 0.00 C ATOM 599 CD LYS A 39 -4.502 10.532 2.368 1.00 0.00 C ATOM 600 CE LYS A 39 -3.708 11.757 2.790 1.00 0.00 C ATOM 601 NZ LYS A 39 -2.799 12.230 1.709 1.00 0.00 N ATOM 0 H LYS A 39 -7.627 6.822 2.303 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.434 9.729 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.640 8.365 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.261 7.966 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.184 10.779 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.828 9.939 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.817 9.736 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.104 10.772 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.395 12.558 3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.123 11.522 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.811 12.122 2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.959 11.667 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.991 13.232 1.507 1.00 0.00 H new ATOM 615 N GLU A 40 -6.270 9.519 -0.308 1.00 0.00 N ATOM 616 CA GLU A 40 -5.522 9.485 -1.560 1.00 0.00 C ATOM 617 C GLU A 40 -4.021 9.568 -1.300 1.00 0.00 C ATOM 618 O GLU A 40 -3.557 10.430 -0.554 1.00 0.00 O ATOM 619 CB GLU A 40 -5.959 10.633 -2.471 1.00 0.00 C ATOM 620 CG GLU A 40 -7.000 10.227 -3.502 1.00 0.00 C ATOM 621 CD GLU A 40 -7.091 11.208 -4.655 1.00 0.00 C ATOM 622 OE1 GLU A 40 -6.327 11.050 -5.630 1.00 0.00 O ATOM 623 OE2 GLU A 40 -7.927 12.133 -4.582 1.00 0.00 O ATOM 0 H GLU A 40 -6.930 10.293 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.734 8.537 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.362 11.439 -1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.085 11.030 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.756 9.238 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.974 10.149 -3.019 1.00 0.00 H new ATOM 630 N VAL A 41 -3.267 8.667 -1.921 1.00 0.00 N ATOM 631 CA VAL A 41 -1.819 8.638 -1.759 1.00 0.00 C ATOM 632 C VAL A 41 -1.134 9.545 -2.775 1.00 0.00 C ATOM 633 O VAL A 41 -1.767 10.036 -3.710 1.00 0.00 O ATOM 634 CB VAL A 41 -1.264 7.210 -1.908 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.768 6.320 -0.783 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.637 6.631 -3.264 1.00 0.00 C ATOM 0 H VAL A 41 -3.636 7.947 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.607 8.998 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.177 7.254 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.365 5.315 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.444 6.726 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.857 6.280 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.236 5.621 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.722 6.600 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.220 7.256 -4.054 1.00 0.00 H new ATOM 646 N LYS A 42 0.162 9.765 -2.586 1.00 0.00 N ATOM 647 CA LYS A 42 0.935 10.613 -3.487 1.00 0.00 C ATOM 648 C LYS A 42 2.308 10.009 -3.758 1.00 0.00 C ATOM 649 O LYS A 42 2.830 9.240 -2.952 1.00 0.00 O ATOM 650 CB LYS A 42 1.091 12.014 -2.892 1.00 0.00 C ATOM 651 CG LYS A 42 -0.225 12.760 -2.737 1.00 0.00 C ATOM 652 CD LYS A 42 -0.035 14.261 -2.882 1.00 0.00 C ATOM 653 CE LYS A 42 0.315 14.643 -4.311 1.00 0.00 C ATOM 654 NZ LYS A 42 1.279 15.777 -4.364 1.00 0.00 N ATOM 0 H LYS A 42 0.700 9.368 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 42 0.396 10.684 -4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.571 11.934 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.757 12.597 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.934 12.408 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.657 12.539 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.947 14.775 -2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.756 14.595 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.741 13.780 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.594 14.915 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.491 16.006 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.863 16.608 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.157 15.509 -3.875 1.00 0.00 H new ATOM 668 N ALA A 43 2.890 10.363 -4.899 1.00 0.00 N ATOM 669 CA ALA A 43 4.204 9.856 -5.274 1.00 0.00 C ATOM 670 C ALA A 43 5.272 10.322 -4.291 1.00 0.00 C ATOM 671 O ALA A 43 5.323 11.496 -3.926 1.00 0.00 O ATOM 672 CB ALA A 43 4.557 10.297 -6.687 1.00 0.00 C ATOM 0 H ALA A 43 2.473 10.998 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 43 4.168 8.767 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.541 9.911 -6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.814 9.910 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.569 11.386 -6.736 1.00 0.00 H new ATOM 678 N GLY A 44 6.120 9.394 -3.863 1.00 0.00 N ATOM 679 CA GLY A 44 7.173 9.728 -2.923 1.00 0.00 C ATOM 680 C GLY A 44 6.675 9.783 -1.492 1.00 0.00 C ATOM 681 O GLY A 44 7.177 10.562 -0.682 1.00 0.00 O ATOM 0 H GLY A 44 6.097 8.416 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.971 8.990 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.604 10.692 -3.192 1.00 0.00 H new ATOM 685 N ASP A 45 5.685 8.953 -1.182 1.00 0.00 N ATOM 686 CA ASP A 45 5.116 8.909 0.162 1.00 0.00 C ATOM 687 C ASP A 45 5.469 7.600 0.859 1.00 0.00 C ATOM 688 O ASP A 45 5.830 6.618 0.210 1.00 0.00 O ATOM 689 CB ASP A 45 3.597 9.076 0.102 1.00 0.00 C ATOM 690 CG ASP A 45 3.170 10.528 0.196 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.614 11.333 -0.649 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.391 10.859 1.115 1.00 0.00 O ATOM 0 H ASP A 45 5.260 8.302 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 45 5.541 9.732 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.224 8.650 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.140 8.513 0.915 1.00 0.00 H new ATOM 697 N THR A 46 5.361 7.592 2.183 1.00 0.00 N ATOM 698 CA THR A 46 5.668 6.403 2.968 1.00 0.00 C ATOM 699 C THR A 46 4.397 5.632 3.310 1.00 0.00 C ATOM 700 O THR A 46 3.483 6.168 3.936 1.00 0.00 O ATOM 701 CB THR A 46 6.404 6.790 4.251 1.00 0.00 C ATOM 702 OG1 THR A 46 7.580 7.523 3.954 1.00 0.00 O ATOM 703 CG2 THR A 46 6.808 5.598 5.092 1.00 0.00 C ATOM 0 H THR A 46 5.063 8.396 2.735 1.00 0.00 H new ATOM 0 HA THR A 46 6.311 5.759 2.368 1.00 0.00 H new ATOM 0 HB THR A 46 5.695 7.393 4.819 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.035 7.763 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.326 5.943 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.918 5.038 5.380 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.471 4.954 4.515 1.00 0.00 H new ATOM 711 N ILE A 47 4.346 4.373 2.890 1.00 0.00 N ATOM 712 CA ILE A 47 3.189 3.525 3.149 1.00 0.00 C ATOM 713 C ILE A 47 3.459 2.564 4.302 1.00 0.00 C ATOM 714 O ILE A 47 4.114 1.536 4.125 1.00 0.00 O ATOM 715 CB ILE A 47 2.799 2.716 1.898 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.692 3.640 0.684 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.488 1.978 2.129 1.00 0.00 C ATOM 718 CD1 ILE A 47 2.270 2.929 -0.584 1.00 0.00 C ATOM 0 H ILE A 47 5.094 3.917 2.368 1.00 0.00 H new ATOM 0 HA ILE A 47 2.364 4.185 3.418 1.00 0.00 H new ATOM 0 HB ILE A 47 3.576 1.977 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.975 4.431 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.656 4.120 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.227 1.411 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.598 1.296 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.699 2.698 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.215 3.647 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.999 2.156 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.292 2.472 -0.436 1.00 0.00 H new ATOM 730 N SER A 48 2.953 2.903 5.483 1.00 0.00 N ATOM 731 CA SER A 48 3.144 2.068 6.663 1.00 0.00 C ATOM 732 C SER A 48 2.121 0.937 6.703 1.00 0.00 C ATOM 733 O SER A 48 0.944 1.140 6.408 1.00 0.00 O ATOM 734 CB SER A 48 3.040 2.914 7.934 1.00 0.00 C ATOM 735 OG SER A 48 2.789 2.104 9.070 1.00 0.00 O ATOM 0 H SER A 48 2.408 3.749 5.648 1.00 0.00 H new ATOM 0 HA SER A 48 4.140 1.628 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.965 3.472 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.240 3.646 7.822 1.00 0.00 H new ATOM 0 HG SER A 48 2.729 2.669 9.868 1.00 0.00 H new ATOM 741 N LEU A 49 2.581 -0.256 7.069 1.00 0.00 N ATOM 742 CA LEU A 49 1.708 -1.421 7.147 1.00 0.00 C ATOM 743 C LEU A 49 1.974 -2.217 8.420 1.00 0.00 C ATOM 744 O LEU A 49 3.118 -2.346 8.855 1.00 0.00 O ATOM 745 CB LEU A 49 1.909 -2.317 5.923 1.00 0.00 C ATOM 746 CG LEU A 49 1.122 -1.901 4.679 1.00 0.00 C ATOM 747 CD1 LEU A 49 -0.366 -1.807 4.993 1.00 0.00 C ATOM 748 CD2 LEU A 49 1.641 -0.577 4.137 1.00 0.00 C ATOM 0 H LEU A 49 3.553 -0.440 7.316 1.00 0.00 H new ATOM 0 HA LEU A 49 0.677 -1.069 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.970 -2.333 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.628 -3.336 6.188 1.00 0.00 H new ATOM 0 HG LEU A 49 1.262 -2.663 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.909 -1.510 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.728 -2.778 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.526 -1.066 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.069 -0.297 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.533 0.195 4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.693 -0.680 3.872 1.00 0.00 H new ATOM 760 N HIS A 50 0.912 -2.751 9.012 1.00 0.00 N ATOM 761 CA HIS A 50 1.033 -3.536 10.235 1.00 0.00 C ATOM 762 C HIS A 50 1.023 -5.030 9.928 1.00 0.00 C ATOM 763 O HIS A 50 0.068 -5.548 9.351 1.00 0.00 O ATOM 764 CB HIS A 50 -0.103 -3.196 11.201 1.00 0.00 C ATOM 765 CG HIS A 50 0.121 -3.712 12.590 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.171 -2.893 13.698 1.00 0.00 N ATOM 767 CD2 HIS A 50 0.307 -4.973 13.047 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.381 -3.626 14.776 1.00 0.00 C ATOM 769 NE2 HIS A 50 0.466 -4.891 14.409 1.00 0.00 N ATOM 0 H HIS A 50 -0.042 -2.655 8.665 1.00 0.00 H new ATOM 0 HA HIS A 50 1.985 -3.286 10.702 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.226 -2.114 11.239 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.035 -3.609 10.814 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.327 -5.874 12.452 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.468 -3.254 15.786 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.624 -5.680 15.036 1.00 0.00 H new ATOM 778 N TYR A 51 2.093 -5.716 10.318 1.00 0.00 N ATOM 779 CA TYR A 51 2.207 -7.152 10.085 1.00 0.00 C ATOM 780 C TYR A 51 2.386 -7.904 11.399 1.00 0.00 C ATOM 781 O TYR A 51 2.381 -7.306 12.475 1.00 0.00 O ATOM 782 CB TYR A 51 3.381 -7.445 9.151 1.00 0.00 C ATOM 783 CG TYR A 51 3.029 -7.339 7.684 1.00 0.00 C ATOM 784 CD1 TYR A 51 2.488 -6.170 7.164 1.00 0.00 C ATOM 785 CD2 TYR A 51 3.235 -8.408 6.821 1.00 0.00 C ATOM 786 CE1 TYR A 51 2.163 -6.068 5.824 1.00 0.00 C ATOM 787 CE2 TYR A 51 2.913 -8.314 5.480 1.00 0.00 C ATOM 788 CZ TYR A 51 2.377 -7.143 4.987 1.00 0.00 C ATOM 789 OH TYR A 51 2.055 -7.046 3.652 1.00 0.00 O ATOM 0 H TYR A 51 2.893 -5.301 10.796 1.00 0.00 H new ATOM 0 HA TYR A 51 1.284 -7.494 9.616 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.192 -6.752 9.372 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.755 -8.448 9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.318 -5.327 7.817 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.653 -9.327 7.204 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.744 -5.152 5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.080 -9.154 4.822 1.00 0.00 H new ATOM 0 HH TYR A 51 2.269 -7.890 3.202 1.00 0.00 H new ATOM 799 N LEU A 52 2.544 -9.220 11.303 1.00 0.00 N ATOM 800 CA LEU A 52 2.724 -10.057 12.484 1.00 0.00 C ATOM 801 C LEU A 52 4.122 -9.880 13.071 1.00 0.00 C ATOM 802 O LEU A 52 4.313 -9.973 14.283 1.00 0.00 O ATOM 803 CB LEU A 52 2.488 -11.527 12.134 1.00 0.00 C ATOM 804 CG LEU A 52 1.282 -11.791 11.228 1.00 0.00 C ATOM 805 CD1 LEU A 52 1.655 -12.743 10.101 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.119 -12.349 12.035 1.00 0.00 C ATOM 0 H LEU A 52 2.551 -9.730 10.420 1.00 0.00 H new ATOM 0 HA LEU A 52 1.994 -9.747 13.232 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.382 -11.917 11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.358 -12.089 13.059 1.00 0.00 H new ATOM 0 HG LEU A 52 0.972 -10.844 10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.784 -12.917 9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.455 -12.305 9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.994 -13.690 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.729 -12.530 11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.419 -13.285 12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.167 -11.632 12.804 1.00 0.00 H new ATOM 818 N LYS A 53 5.096 -9.627 12.202 1.00 0.00 N ATOM 819 CA LYS A 53 6.475 -9.439 12.636 1.00 0.00 C ATOM 820 C LYS A 53 6.801 -7.959 12.838 1.00 0.00 C ATOM 821 O LYS A 53 7.957 -7.595 13.050 1.00 0.00 O ATOM 822 CB LYS A 53 7.438 -10.046 11.615 1.00 0.00 C ATOM 823 CG LYS A 53 7.194 -9.573 10.192 1.00 0.00 C ATOM 824 CD LYS A 53 8.483 -9.531 9.386 1.00 0.00 C ATOM 825 CE LYS A 53 8.334 -10.249 8.054 1.00 0.00 C ATOM 826 NZ LYS A 53 7.534 -9.455 7.081 1.00 0.00 N ATOM 0 H LYS A 53 4.956 -9.548 11.195 1.00 0.00 H new ATOM 0 HA LYS A 53 6.593 -9.947 13.593 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.460 -9.799 11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.352 -11.132 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.481 -10.238 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.743 -8.581 10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.770 -8.494 9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.287 -9.991 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.321 -10.447 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.856 -11.215 8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.456 -9.979 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.583 -9.287 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.003 -8.543 6.908 1.00 0.00 H new ATOM 840 N GLY A 54 5.778 -7.108 12.774 1.00 0.00 N ATOM 841 CA GLY A 54 5.989 -5.683 12.955 1.00 0.00 C ATOM 842 C GLY A 54 5.526 -4.870 11.762 1.00 0.00 C ATOM 843 O GLY A 54 4.653 -5.303 11.009 1.00 0.00 O ATOM 0 H GLY A 54 4.810 -7.380 12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.456 -5.351 13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.049 -5.495 13.129 1.00 0.00 H new ATOM 847 N ILE A 55 6.110 -3.689 11.591 1.00 0.00 N ATOM 848 CA ILE A 55 5.753 -2.811 10.484 1.00 0.00 C ATOM 849 C ILE A 55 6.792 -2.880 9.370 1.00 0.00 C ATOM 850 O ILE A 55 7.995 -2.864 9.627 1.00 0.00 O ATOM 851 CB ILE A 55 5.611 -1.349 10.950 1.00 0.00 C ATOM 852 CG1 ILE A 55 4.702 -1.269 12.179 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.068 -0.481 9.825 1.00 0.00 C ATOM 854 CD1 ILE A 55 5.389 -1.677 13.465 1.00 0.00 C ATOM 0 H ILE A 55 6.834 -3.318 12.206 1.00 0.00 H new ATOM 0 HA ILE A 55 4.793 -3.158 10.102 1.00 0.00 H new ATOM 0 HB ILE A 55 6.597 -0.975 11.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.332 -0.249 12.282 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.834 -1.909 12.021 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.974 0.548 10.172 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.751 -0.517 8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.089 -0.851 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.686 -1.596 14.294 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.735 -2.707 13.382 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.241 -1.022 13.646 1.00 0.00 H new ATOM 866 N GLU A 56 6.318 -2.955 8.130 1.00 0.00 N ATOM 867 CA GLU A 56 7.205 -3.025 6.975 1.00 0.00 C ATOM 868 C GLU A 56 7.630 -1.628 6.533 1.00 0.00 C ATOM 869 O GLU A 56 8.812 -1.369 6.306 1.00 0.00 O ATOM 870 CB GLU A 56 6.517 -3.753 5.818 1.00 0.00 C ATOM 871 CG GLU A 56 6.959 -5.200 5.662 1.00 0.00 C ATOM 872 CD GLU A 56 8.247 -5.334 4.874 1.00 0.00 C ATOM 873 OE1 GLU A 56 9.166 -4.519 5.096 1.00 0.00 O ATOM 874 OE2 GLU A 56 8.336 -6.255 4.034 1.00 0.00 O ATOM 0 H GLU A 56 5.324 -2.969 7.900 1.00 0.00 H new ATOM 0 HA GLU A 56 8.096 -3.583 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.438 -3.726 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.720 -3.218 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.093 -5.643 6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.172 -5.765 5.163 1.00 0.00 H new ATOM 881 N GLU A 57 6.656 -0.730 6.415 1.00 0.00 N ATOM 882 CA GLU A 57 6.925 0.643 6.003 1.00 0.00 C ATOM 883 C GLU A 57 7.477 0.691 4.581 1.00 0.00 C ATOM 884 O GLU A 57 8.671 0.495 4.361 1.00 0.00 O ATOM 885 CB GLU A 57 7.912 1.307 6.967 1.00 0.00 C ATOM 886 CG GLU A 57 7.739 2.814 7.072 1.00 0.00 C ATOM 887 CD GLU A 57 8.984 3.508 7.591 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.779 2.852 8.297 1.00 0.00 O ATOM 889 OE2 GLU A 57 9.164 4.706 7.291 1.00 0.00 O ATOM 0 H GLU A 57 5.673 -0.929 6.599 1.00 0.00 H new ATOM 0 HA GLU A 57 5.982 1.189 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.793 0.866 7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.929 1.088 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.485 3.216 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.901 3.035 7.734 1.00 0.00 H new ATOM 896 N TYR A 58 6.597 0.955 3.620 1.00 0.00 N ATOM 897 CA TYR A 58 6.994 1.034 2.221 1.00 0.00 C ATOM 898 C TYR A 58 7.074 2.488 1.764 1.00 0.00 C ATOM 899 O TYR A 58 6.828 3.407 2.545 1.00 0.00 O ATOM 900 CB TYR A 58 6.010 0.260 1.341 1.00 0.00 C ATOM 901 CG TYR A 58 5.776 -1.161 1.803 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.039 -1.427 2.950 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.294 -2.236 1.090 1.00 0.00 C ATOM 904 CE1 TYR A 58 4.826 -2.725 3.375 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.083 -3.536 1.509 1.00 0.00 C ATOM 906 CZ TYR A 58 5.348 -3.775 2.651 1.00 0.00 C ATOM 907 OH TYR A 58 5.138 -5.068 3.072 1.00 0.00 O ATOM 0 H TYR A 58 5.604 1.118 3.786 1.00 0.00 H new ATOM 0 HA TYR A 58 7.982 0.585 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.057 0.789 1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.385 0.244 0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.626 -0.607 3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.870 -2.053 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.253 -2.915 4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.492 -4.361 0.945 1.00 0.00 H new ATOM 0 HH TYR A 58 5.571 -5.689 2.450 1.00 0.00 H new ATOM 917 N THR A 59 7.424 2.689 0.499 1.00 0.00 N ATOM 918 CA THR A 59 7.541 4.033 -0.056 1.00 0.00 C ATOM 919 C THR A 59 7.083 4.066 -1.511 1.00 0.00 C ATOM 920 O THR A 59 7.564 3.295 -2.341 1.00 0.00 O ATOM 921 CB THR A 59 8.988 4.521 0.046 1.00 0.00 C ATOM 922 OG1 THR A 59 9.409 4.558 1.399 1.00 0.00 O ATOM 923 CG2 THR A 59 9.201 5.902 -0.537 1.00 0.00 C ATOM 0 H THR A 59 7.632 1.940 -0.161 1.00 0.00 H new ATOM 0 HA THR A 59 6.896 4.695 0.522 1.00 0.00 H new ATOM 0 HB THR A 59 9.573 3.807 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.337 4.871 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.248 6.184 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.932 5.896 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.576 6.621 -0.007 1.00 0.00 H new ATOM 931 N ILE A 60 6.152 4.965 -1.813 1.00 0.00 N ATOM 932 CA ILE A 60 5.633 5.102 -3.167 1.00 0.00 C ATOM 933 C ILE A 60 6.625 5.837 -4.062 1.00 0.00 C ATOM 934 O ILE A 60 7.011 6.970 -3.776 1.00 0.00 O ATOM 935 CB ILE A 60 4.289 5.855 -3.183 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.324 5.244 -2.166 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.683 5.828 -4.578 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.132 6.124 -1.859 1.00 0.00 C ATOM 0 H ILE A 60 5.742 5.609 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 60 5.478 4.093 -3.549 1.00 0.00 H new ATOM 0 HB ILE A 60 4.469 6.894 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.970 4.285 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.864 5.042 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.734 6.364 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.366 6.306 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.514 4.795 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.491 5.627 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.477 7.074 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.568 6.306 -2.774 1.00 0.00 H new ATOM 950 N LEU A 61 7.034 5.184 -5.143 1.00 0.00 N ATOM 951 CA LEU A 61 7.983 5.775 -6.081 1.00 0.00 C ATOM 952 C LEU A 61 7.268 6.599 -7.150 1.00 0.00 C ATOM 953 O LEU A 61 7.891 7.408 -7.838 1.00 0.00 O ATOM 954 CB LEU A 61 8.823 4.680 -6.741 1.00 0.00 C ATOM 955 CG LEU A 61 9.703 3.874 -5.783 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.560 2.882 -6.555 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.578 4.801 -4.952 1.00 0.00 C ATOM 0 H LEU A 61 6.724 4.245 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 61 8.637 6.443 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.154 3.994 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.460 5.138 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 61 9.055 3.317 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.180 2.317 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.916 2.196 -7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.199 3.421 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.196 4.209 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.218 5.386 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.947 5.473 -4.371 1.00 0.00 H new ATOM 969 N GLN A 62 5.960 6.391 -7.288 1.00 0.00 N ATOM 970 CA GLN A 62 5.173 7.121 -8.278 1.00 0.00 C ATOM 971 C GLN A 62 3.700 6.726 -8.204 1.00 0.00 C ATOM 972 O GLN A 62 3.342 5.747 -7.550 1.00 0.00 O ATOM 973 CB GLN A 62 5.712 6.856 -9.685 1.00 0.00 C ATOM 974 CG GLN A 62 5.735 8.093 -10.570 1.00 0.00 C ATOM 975 CD GLN A 62 4.587 8.119 -11.561 1.00 0.00 C ATOM 976 OE1 GLN A 62 4.316 7.130 -12.241 1.00 0.00 O ATOM 977 NE2 GLN A 62 3.905 9.255 -11.646 1.00 0.00 N ATOM 0 H GLN A 62 5.425 5.726 -6.729 1.00 0.00 H new ATOM 0 HA GLN A 62 5.257 8.185 -8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.723 6.455 -9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.100 6.090 -10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.691 8.984 -9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.680 8.130 -11.112 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.165 10.051 -11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.121 9.332 -12.295 1.00 0.00 H new ATOM 986 N ILE A 63 2.852 7.496 -8.879 1.00 0.00 N ATOM 987 CA ILE A 63 1.420 7.227 -8.891 1.00 0.00 C ATOM 988 C ILE A 63 0.880 7.177 -10.318 1.00 0.00 C ATOM 989 O ILE A 63 0.360 8.169 -10.829 1.00 0.00 O ATOM 990 CB ILE A 63 0.640 8.293 -8.097 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.252 8.475 -6.707 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.831 7.909 -7.994 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.094 7.266 -5.811 1.00 0.00 C ATOM 0 H ILE A 63 3.133 8.311 -9.424 1.00 0.00 H new ATOM 0 HA ILE A 63 1.278 6.256 -8.417 1.00 0.00 H new ATOM 0 HB ILE A 63 0.708 9.243 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.313 8.701 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.789 9.336 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.368 8.672 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.257 7.830 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.922 6.950 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.552 7.468 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.034 7.051 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.582 6.406 -6.270 1.00 0.00 H new ATOM 1005 N PRO A 64 0.995 6.015 -10.983 1.00 0.00 N ATOM 1006 CA PRO A 64 0.513 5.839 -12.356 1.00 0.00 C ATOM 1007 C PRO A 64 -1.011 5.845 -12.446 1.00 0.00 C ATOM 1008 O PRO A 64 -1.576 5.888 -13.539 1.00 0.00 O ATOM 1009 CB PRO A 64 1.061 4.466 -12.751 1.00 0.00 C ATOM 1010 CG PRO A 64 1.213 3.740 -11.461 1.00 0.00 C ATOM 1011 CD PRO A 64 1.599 4.780 -10.447 1.00 0.00 C ATOM 0 HA PRO A 64 0.840 6.651 -13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.379 3.944 -13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.015 4.554 -13.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.283 3.245 -11.179 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.976 2.965 -11.536 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.212 4.540 -9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.681 4.869 -10.354 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.672 5.799 -11.292 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.130 5.796 -11.247 1.00 0.00 C ATOM 1021 C ALA A 65 -3.698 4.561 -11.939 1.00 0.00 C ATOM 1022 O ALA A 65 -4.517 4.668 -12.852 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.682 7.065 -11.882 1.00 0.00 C ATOM 0 H ALA A 65 -1.221 5.763 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.437 5.766 -10.202 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.771 7.048 -11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.312 7.934 -11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.359 7.122 -12.921 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.256 3.387 -11.499 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.720 2.131 -12.079 1.00 0.00 C ATOM 1031 C LEU A 66 -4.733 1.446 -11.164 1.00 0.00 C ATOM 1032 O LEU A 66 -5.167 2.017 -10.164 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.533 1.197 -12.354 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.985 0.439 -11.140 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.552 -0.963 -11.539 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -0.823 1.195 -10.518 1.00 0.00 C ATOM 0 H LEU A 66 -2.578 3.279 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.214 2.358 -13.024 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.835 0.469 -13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.724 1.786 -12.786 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.780 0.358 -10.399 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.165 -1.487 -10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.407 -1.508 -11.940 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.773 -0.901 -12.299 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.447 0.641 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.026 1.307 -11.253 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.161 2.180 -10.196 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.100 0.217 -11.515 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.059 -0.550 -10.727 1.00 0.00 C ATOM 1050 C LYS A 67 -5.431 -1.844 -10.216 1.00 0.00 C ATOM 1051 O LYS A 67 -5.682 -2.263 -9.087 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.300 -0.868 -11.563 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.353 0.226 -11.528 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.153 0.187 -10.236 1.00 0.00 C ATOM 1055 CE LYS A 67 -10.133 1.347 -10.151 1.00 0.00 C ATOM 1056 NZ LYS A 67 -11.160 1.131 -9.096 1.00 0.00 N ATOM 0 H LYS A 67 -4.748 -0.269 -12.340 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.353 0.055 -9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.998 -1.037 -12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.742 -1.798 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.872 1.199 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.026 0.112 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.697 -0.755 -10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.473 0.221 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.588 2.268 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.625 1.478 -11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.808 1.944 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.698 0.266 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.693 1.032 -8.172 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.613 -2.470 -11.057 1.00 0.00 N ATOM 1071 CA ASN A 68 -3.944 -3.715 -10.694 1.00 0.00 C ATOM 1072 C ASN A 68 -2.685 -3.911 -11.531 1.00 0.00 C ATOM 1073 O ASN A 68 -2.748 -3.972 -12.760 1.00 0.00 O ATOM 1074 CB ASN A 68 -4.889 -4.902 -10.888 1.00 0.00 C ATOM 1075 CG ASN A 68 -6.133 -4.798 -10.027 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -7.148 -4.243 -10.448 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -6.060 -5.334 -8.815 1.00 0.00 N ATOM 0 H ASN A 68 -4.397 -2.135 -11.996 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.659 -3.657 -9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.180 -4.963 -11.937 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.362 -5.826 -10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.866 -5.296 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.198 -5.784 -8.508 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.540 -4.006 -10.863 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.268 -4.191 -11.552 1.00 0.00 C ATOM 1086 C VAL A 69 0.189 -5.649 -11.493 1.00 0.00 C ATOM 1087 O VAL A 69 0.114 -6.287 -10.443 1.00 0.00 O ATOM 1088 CB VAL A 69 0.830 -3.292 -10.951 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.036 -3.609 -9.477 1.00 0.00 C ATOM 1090 CG2 VAL A 69 2.132 -3.442 -11.725 1.00 0.00 C ATOM 0 H VAL A 69 -1.467 -3.958 -9.847 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.429 -3.910 -12.593 1.00 0.00 H new ATOM 0 HB VAL A 69 0.506 -2.255 -11.033 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.815 -2.964 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.106 -3.439 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.335 -4.651 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.894 -2.799 -11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.464 -4.479 -11.682 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.972 -3.155 -12.764 1.00 0.00 H new ATOM 1100 N PRO A 70 0.675 -6.199 -12.623 1.00 0.00 N ATOM 1101 CA PRO A 70 1.147 -7.587 -12.683 1.00 0.00 C ATOM 1102 C PRO A 70 2.324 -7.832 -11.743 1.00 0.00 C ATOM 1103 O PRO A 70 2.511 -7.106 -10.766 1.00 0.00 O ATOM 1104 CB PRO A 70 1.584 -7.765 -14.144 1.00 0.00 C ATOM 1105 CG PRO A 70 0.916 -6.661 -14.890 1.00 0.00 C ATOM 1106 CD PRO A 70 0.805 -5.519 -13.923 1.00 0.00 C ATOM 0 HA PRO A 70 0.375 -8.291 -12.373 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.668 -7.706 -14.241 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.282 -8.739 -14.529 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.497 -6.375 -15.767 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.067 -6.969 -15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.684 -4.875 -13.956 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.059 -4.890 -14.138 1.00 0.00 H new ATOM 1114 N ARG A 71 3.119 -8.855 -12.045 1.00 0.00 N ATOM 1115 CA ARG A 71 4.278 -9.190 -11.227 1.00 0.00 C ATOM 1116 C ARG A 71 5.575 -8.892 -11.975 1.00 0.00 C ATOM 1117 O ARG A 71 6.434 -9.762 -12.123 1.00 0.00 O ATOM 1118 CB ARG A 71 4.232 -10.664 -10.820 1.00 0.00 C ATOM 1119 CG ARG A 71 4.703 -10.918 -9.397 1.00 0.00 C ATOM 1120 CD ARG A 71 5.431 -12.247 -9.276 1.00 0.00 C ATOM 1121 NE ARG A 71 4.835 -13.107 -8.255 1.00 0.00 N ATOM 1122 CZ ARG A 71 4.885 -12.853 -6.950 1.00 0.00 C ATOM 1123 NH1 ARG A 71 5.504 -11.768 -6.500 1.00 0.00 N ATOM 1124 NH2 ARG A 71 4.315 -13.687 -6.090 1.00 0.00 N ATOM 0 H ARG A 71 2.981 -9.465 -12.850 1.00 0.00 H new ATOM 0 HA ARG A 71 4.250 -8.574 -10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.211 -11.030 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.851 -11.241 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.364 -10.111 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.847 -10.909 -8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.412 -12.760 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.478 -12.066 -9.032 1.00 0.00 H new ATOM 0 HE ARG A 71 4.352 -13.952 -8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.945 -11.123 -7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.539 -11.579 -5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.839 -14.523 -6.429 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.353 -13.493 -5.089 1.00 0.00 H new ATOM 1138 N LYS A 72 5.711 -7.655 -12.444 1.00 0.00 N ATOM 1139 CA LYS A 72 6.902 -7.242 -13.177 1.00 0.00 C ATOM 1140 C LYS A 72 7.208 -5.768 -12.936 1.00 0.00 C ATOM 1141 O LYS A 72 8.341 -5.401 -12.623 1.00 0.00 O ATOM 1142 CB LYS A 72 6.721 -7.498 -14.674 1.00 0.00 C ATOM 1143 CG LYS A 72 8.021 -7.464 -15.458 1.00 0.00 C ATOM 1144 CD LYS A 72 7.789 -7.725 -16.937 1.00 0.00 C ATOM 1145 CE LYS A 72 8.992 -8.395 -17.580 1.00 0.00 C ATOM 1146 NZ LYS A 72 8.599 -9.266 -18.722 1.00 0.00 N ATOM 0 H LYS A 72 5.011 -6.922 -12.329 1.00 0.00 H new ATOM 0 HA LYS A 72 7.743 -7.833 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.248 -8.470 -14.813 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.041 -6.751 -15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.499 -6.493 -15.330 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.707 -8.211 -15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.909 -8.356 -17.062 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.581 -6.784 -17.445 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.689 -7.633 -17.928 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.518 -8.990 -16.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.448 -9.704 -19.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.954 -10.009 -18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.120 -8.694 -19.446 1.00 0.00 H new ATOM 1160 N ASP A 73 6.190 -4.926 -13.082 1.00 0.00 N ATOM 1161 CA ASP A 73 6.350 -3.489 -12.880 1.00 0.00 C ATOM 1162 C ASP A 73 5.892 -3.073 -11.482 1.00 0.00 C ATOM 1163 O ASP A 73 6.161 -1.956 -11.041 1.00 0.00 O ATOM 1164 CB ASP A 73 5.561 -2.715 -13.937 1.00 0.00 C ATOM 1165 CG ASP A 73 6.155 -2.862 -15.324 1.00 0.00 C ATOM 1166 OD1 ASP A 73 6.790 -3.904 -15.590 1.00 0.00 O ATOM 1167 OD2 ASP A 73 5.987 -1.934 -16.143 1.00 0.00 O ATOM 0 H ASP A 73 5.246 -5.213 -13.339 1.00 0.00 H new ATOM 0 HA ASP A 73 7.410 -3.253 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.530 -3.068 -13.947 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.534 -1.660 -13.666 1.00 0.00 H new ATOM 1172 N THR A 74 5.199 -3.974 -10.790 1.00 0.00 N ATOM 1173 CA THR A 74 4.707 -3.695 -9.446 1.00 0.00 C ATOM 1174 C THR A 74 5.851 -3.335 -8.500 1.00 0.00 C ATOM 1175 O THR A 74 5.633 -2.720 -7.456 1.00 0.00 O ATOM 1176 CB THR A 74 3.941 -4.901 -8.902 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.473 -4.647 -7.589 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.770 -6.166 -8.856 1.00 0.00 C ATOM 0 H THR A 74 4.966 -4.904 -11.139 1.00 0.00 H new ATOM 0 HA THR A 74 4.034 -2.839 -9.507 1.00 0.00 H new ATOM 0 HB THR A 74 3.113 -5.053 -9.595 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.275 -5.496 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.166 -6.983 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.106 -6.418 -9.862 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.636 -6.010 -8.213 1.00 0.00 H new ATOM 1186 N HIS A 75 7.070 -3.722 -8.868 1.00 0.00 N ATOM 1187 CA HIS A 75 8.241 -3.437 -8.044 1.00 0.00 C ATOM 1188 C HIS A 75 8.922 -2.141 -8.481 1.00 0.00 C ATOM 1189 O HIS A 75 10.118 -1.954 -8.256 1.00 0.00 O ATOM 1190 CB HIS A 75 9.235 -4.597 -8.118 1.00 0.00 C ATOM 1191 CG HIS A 75 10.076 -4.743 -6.888 1.00 0.00 C ATOM 1192 ND1 HIS A 75 11.078 -3.973 -6.402 1.00 0.00 N flip ATOM 1193 CD2 HIS A 75 9.928 -5.783 -5.994 1.00 0.00 C flip ATOM 1194 CE1 HIS A 75 11.513 -4.556 -5.238 1.00 0.00 C flip ATOM 1195 NE2 HIS A 75 10.802 -5.647 -5.013 1.00 0.00 N flip ATOM 0 H HIS A 75 7.272 -4.232 -9.728 1.00 0.00 H new ATOM 0 HA HIS A 75 7.905 -3.316 -7.014 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.687 -5.524 -8.286 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.887 -4.452 -8.979 1.00 0.00 H new ATOM 0 HD1 HIS A 75 11.442 -3.118 -6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.209 -6.584 -6.082 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.307 -4.184 -4.608 1.00 0.00 H new ATOM 1204 N LEU A 76 8.158 -1.249 -9.106 1.00 0.00 N ATOM 1205 CA LEU A 76 8.695 0.026 -9.568 1.00 0.00 C ATOM 1206 C LEU A 76 7.864 1.203 -9.053 1.00 0.00 C ATOM 1207 O LEU A 76 8.158 2.359 -9.359 1.00 0.00 O ATOM 1208 CB LEU A 76 8.742 0.055 -11.098 1.00 0.00 C ATOM 1209 CG LEU A 76 10.065 -0.407 -11.713 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.903 -0.656 -13.204 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.157 0.622 -11.457 1.00 0.00 C ATOM 0 H LEU A 76 7.167 -1.386 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 76 9.705 0.125 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.940 -0.575 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.538 1.072 -11.434 1.00 0.00 H new ATOM 0 HG LEU A 76 10.357 -1.345 -11.240 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.854 -0.984 -13.624 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.150 -1.428 -13.364 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.588 0.265 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.092 0.279 -11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.872 1.574 -11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.291 0.751 -10.383 1.00 0.00 H new ATOM 1223 N TYR A 77 6.827 0.908 -8.271 1.00 0.00 N ATOM 1224 CA TYR A 77 5.964 1.950 -7.723 1.00 0.00 C ATOM 1225 C TYR A 77 6.027 1.981 -6.197 1.00 0.00 C ATOM 1226 O TYR A 77 5.691 2.989 -5.576 1.00 0.00 O ATOM 1227 CB TYR A 77 4.521 1.734 -8.182 1.00 0.00 C ATOM 1228 CG TYR A 77 4.349 1.787 -9.684 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.629 2.948 -10.394 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.910 0.675 -10.391 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.473 2.999 -11.766 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.753 0.718 -11.763 1.00 0.00 C ATOM 1233 CZ TYR A 77 4.036 1.882 -12.446 1.00 0.00 C ATOM 1234 OH TYR A 77 3.881 1.930 -13.812 1.00 0.00 O ATOM 0 H TYR A 77 6.565 -0.041 -8.004 1.00 0.00 H new ATOM 0 HA TYR A 77 6.322 2.910 -8.095 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.174 0.767 -7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.886 2.493 -7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.974 3.824 -9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.688 -0.238 -9.859 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.692 3.910 -12.303 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.410 -0.156 -12.298 1.00 0.00 H new ATOM 0 HH TYR A 77 3.567 1.060 -14.136 1.00 0.00 H new ATOM 1244 N ILE A 78 6.455 0.872 -5.596 1.00 0.00 N ATOM 1245 CA ILE A 78 6.555 0.784 -4.144 1.00 0.00 C ATOM 1246 C ILE A 78 7.605 -0.242 -3.727 1.00 0.00 C ATOM 1247 O ILE A 78 7.825 -1.236 -4.420 1.00 0.00 O ATOM 1248 CB ILE A 78 5.200 0.412 -3.509 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.309 0.396 -1.982 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.722 -0.936 -4.027 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.979 0.223 -1.282 1.00 0.00 C ATOM 0 H ILE A 78 6.737 0.026 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 78 6.854 1.769 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 78 4.467 1.168 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.976 -0.412 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.767 1.327 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.764 -1.183 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.605 -0.889 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.454 -1.703 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.133 0.221 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.316 1.045 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.528 -0.722 -1.586 1.00 0.00 H new ATOM 1263 N ALA A 79 8.247 0.006 -2.591 1.00 0.00 N ATOM 1264 CA ALA A 79 9.273 -0.896 -2.080 1.00 0.00 C ATOM 1265 C ALA A 79 9.328 -0.856 -0.555 1.00 0.00 C ATOM 1266 O ALA A 79 9.063 0.179 0.057 1.00 0.00 O ATOM 1267 CB ALA A 79 10.630 -0.537 -2.666 1.00 0.00 C ATOM 0 H ALA A 79 8.075 0.824 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 79 9.014 -1.910 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.386 -1.218 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.591 -0.621 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.886 0.486 -2.390 1.00 0.00 H new ATOM 1273 N PRO A 80 9.674 -1.988 0.082 1.00 0.00 N ATOM 1274 CA PRO A 80 9.762 -2.075 1.543 1.00 0.00 C ATOM 1275 C PRO A 80 10.946 -1.289 2.097 1.00 0.00 C ATOM 1276 O PRO A 80 12.102 -1.653 1.882 1.00 0.00 O ATOM 1277 CB PRO A 80 9.948 -3.573 1.799 1.00 0.00 C ATOM 1278 CG PRO A 80 10.570 -4.096 0.551 1.00 0.00 C ATOM 1279 CD PRO A 80 10.007 -3.269 -0.571 1.00 0.00 C ATOM 0 HA PRO A 80 8.884 -1.652 2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.587 -3.750 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.995 -4.061 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.656 -4.011 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.338 -5.152 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.732 -3.134 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.126 -3.736 -1.012 1.00 0.00 H new ATOM 1287 N LYS A 81 10.649 -0.207 2.811 1.00 0.00 N ATOM 1288 CA LYS A 81 11.688 0.631 3.396 1.00 0.00 C ATOM 1289 C LYS A 81 12.558 -0.170 4.358 1.00 0.00 C ATOM 1290 O LYS A 81 12.155 -0.453 5.487 1.00 0.00 O ATOM 1291 CB LYS A 81 11.062 1.820 4.127 1.00 0.00 C ATOM 1292 CG LYS A 81 12.008 2.999 4.293 1.00 0.00 C ATOM 1293 CD LYS A 81 12.004 3.525 5.720 1.00 0.00 C ATOM 1294 CE LYS A 81 12.737 4.852 5.828 1.00 0.00 C ATOM 1295 NZ LYS A 81 13.568 4.929 7.061 1.00 0.00 N ATOM 0 H LYS A 81 9.697 0.109 2.998 1.00 0.00 H new ATOM 0 HA LYS A 81 12.318 1.000 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.178 2.148 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.725 1.494 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.019 2.696 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.718 3.797 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.976 3.648 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.473 2.795 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.373 4.988 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.014 5.667 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.051 5.849 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.959 4.825 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.275 4.167 7.051 1.00 0.00 H new