USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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 TYR OH : rot 180:sc= 0.0278 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 157:sc= 0.845 (180deg=0.297) USER MOD Single : A 31 THR OG1 : rot 28:sc= 0.346 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00926 USER MOD Single : A 42 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.14) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 1.29 K(o=1.3,f=-0.018) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 1.05 (180deg=0.691) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 164:sc= -0.439 (180deg=-0.997) USER MOD Single : A 51 ASN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0.839) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 180:sc= -0.042 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 0.387 K(o=0.39,f=-3!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl 144:sc= -1.43 (180deg=-2.01) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot -176:sc= 1.09 USER MOD Single : B 62 LYS NZ :NH3+ -154:sc= 1.07 (180deg=0.61) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -9.224 12.130 -13.824 1.00 0.00 N ATOM 2 CA THR A 31 -8.070 11.234 -13.711 1.00 0.00 C ATOM 3 C THR A 31 -7.350 11.383 -12.364 1.00 0.00 C ATOM 4 O THR A 31 -7.244 12.483 -11.815 1.00 0.00 O ATOM 5 CB THR A 31 -7.043 11.486 -14.829 1.00 0.00 C ATOM 6 OG1 THR A 31 -7.668 11.825 -16.053 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.149 10.278 -15.106 1.00 0.00 C ATOM 0 HA THR A 31 -8.474 10.225 -13.797 1.00 0.00 H new ATOM 0 HB THR A 31 -6.437 12.313 -14.459 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.531 12.254 -15.872 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.447 10.520 -15.904 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.596 10.020 -14.203 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.765 9.431 -15.409 1.00 0.00 H new ATOM 15 N ARG A 32 -6.801 10.277 -11.851 1.00 0.00 N ATOM 16 CA ARG A 32 -6.161 10.163 -10.529 1.00 0.00 C ATOM 17 C ARG A 32 -4.682 9.784 -10.629 1.00 0.00 C ATOM 18 O ARG A 32 -4.334 8.609 -10.747 1.00 0.00 O ATOM 19 CB ARG A 32 -6.959 9.177 -9.658 1.00 0.00 C ATOM 20 CG ARG A 32 -8.438 9.557 -9.487 1.00 0.00 C ATOM 21 CD ARG A 32 -8.632 10.926 -8.825 1.00 0.00 C ATOM 22 NE ARG A 32 -10.056 11.180 -8.565 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.601 12.261 -8.043 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.903 13.311 -7.711 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.882 12.287 -7.838 1.00 0.00 N ATOM 0 H ARG A 32 -6.788 9.396 -12.365 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.177 11.142 -10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.898 8.183 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.493 9.116 -8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.922 9.560 -10.464 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.936 8.795 -8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.074 10.966 -7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.230 11.708 -9.470 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.700 10.430 -8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.893 13.317 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.367 14.126 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.454 11.478 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.317 13.117 -7.435 1.00 0.00 H new ATOM 39 N ALA A 33 -3.819 10.799 -10.589 1.00 0.00 N ATOM 40 CA ALA A 33 -2.368 10.655 -10.470 1.00 0.00 C ATOM 41 C ALA A 33 -1.973 9.959 -9.148 1.00 0.00 C ATOM 42 O ALA A 33 -2.459 10.335 -8.077 1.00 0.00 O ATOM 43 CB ALA A 33 -1.734 12.047 -10.580 1.00 0.00 C ATOM 0 H ALA A 33 -4.119 11.773 -10.640 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.998 10.019 -11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.651 11.961 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.987 12.487 -11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.113 12.683 -9.780 1.00 0.00 H new ATOM 49 N VAL A 34 -1.085 8.960 -9.212 1.00 0.00 N ATOM 50 CA VAL A 34 -0.614 8.134 -8.089 1.00 0.00 C ATOM 51 C VAL A 34 0.865 7.825 -8.274 1.00 0.00 C ATOM 52 O VAL A 34 1.239 6.997 -9.101 1.00 0.00 O ATOM 53 CB VAL A 34 -1.423 6.834 -7.935 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.840 5.915 -6.855 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.866 7.144 -7.518 1.00 0.00 C ATOM 0 H VAL A 34 -0.651 8.690 -10.095 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.761 8.703 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.384 6.339 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.444 5.010 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.183 5.648 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.845 6.432 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.423 6.213 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.864 7.674 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.339 7.766 -8.278 1.00 0.00 H new ATOM 65 N SER A 35 1.707 8.512 -7.512 1.00 0.00 N ATOM 66 CA SER A 35 3.168 8.444 -7.597 1.00 0.00 C ATOM 67 C SER A 35 3.771 7.597 -6.472 1.00 0.00 C ATOM 68 O SER A 35 3.467 7.802 -5.293 1.00 0.00 O ATOM 69 CB SER A 35 3.730 9.863 -7.585 1.00 0.00 C ATOM 70 OG SER A 35 5.128 9.862 -7.827 1.00 0.00 O ATOM 0 H SER A 35 1.384 9.156 -6.790 1.00 0.00 H new ATOM 0 HA SER A 35 3.442 7.951 -8.530 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.227 10.463 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.525 10.330 -6.622 1.00 0.00 H new ATOM 0 HG SER A 35 5.463 10.783 -7.816 1.00 0.00 H new ATOM 76 N LEU A 36 4.601 6.621 -6.848 1.00 0.00 N ATOM 77 CA LEU A 36 5.125 5.539 -6.013 1.00 0.00 C ATOM 78 C LEU A 36 6.658 5.438 -6.121 1.00 0.00 C ATOM 79 O LEU A 36 7.279 5.965 -7.050 1.00 0.00 O ATOM 80 CB LEU A 36 4.468 4.207 -6.440 1.00 0.00 C ATOM 81 CG LEU A 36 2.929 4.192 -6.496 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.444 2.848 -7.034 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.303 4.386 -5.118 1.00 0.00 C ATOM 0 H LEU A 36 4.947 6.562 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 36 4.884 5.753 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.849 3.938 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.793 3.429 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 36 2.629 5.014 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.355 2.843 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.842 2.692 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.788 2.048 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.217 4.368 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.626 3.583 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.618 5.345 -4.707 1.00 0.00 H new ATOM 95 N TYR A 37 7.255 4.713 -5.171 1.00 0.00 N ATOM 96 CA TYR A 37 8.696 4.702 -4.893 1.00 0.00 C ATOM 97 C TYR A 37 9.206 3.257 -4.780 1.00 0.00 C ATOM 98 O TYR A 37 9.267 2.671 -3.694 1.00 0.00 O ATOM 99 CB TYR A 37 8.960 5.549 -3.636 1.00 0.00 C ATOM 100 CG TYR A 37 8.358 6.945 -3.710 1.00 0.00 C ATOM 101 CD1 TYR A 37 9.001 7.957 -4.448 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.114 7.209 -3.101 1.00 0.00 C ATOM 103 CE1 TYR A 37 8.416 9.234 -4.561 1.00 0.00 C ATOM 104 CE2 TYR A 37 6.517 8.477 -3.225 1.00 0.00 C ATOM 105 CZ TYR A 37 7.170 9.499 -3.950 1.00 0.00 C ATOM 106 OH TYR A 37 6.608 10.735 -4.063 1.00 0.00 O ATOM 0 H TYR A 37 6.731 4.095 -4.552 1.00 0.00 H new ATOM 0 HA TYR A 37 9.256 5.150 -5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.554 5.032 -2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.036 5.633 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.946 7.754 -4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.617 6.434 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.921 10.011 -5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.559 8.669 -2.766 1.00 0.00 H new ATOM 0 HH TYR A 37 5.752 10.750 -3.586 1.00 0.00 H new ATOM 116 N PHE A 38 9.466 2.643 -5.934 1.00 0.00 N ATOM 117 CA PHE A 38 9.870 1.250 -6.104 1.00 0.00 C ATOM 118 C PHE A 38 11.377 1.049 -5.886 1.00 0.00 C ATOM 119 O PHE A 38 12.146 2.008 -5.794 1.00 0.00 O ATOM 120 CB PHE A 38 9.483 0.849 -7.535 1.00 0.00 C ATOM 121 CG PHE A 38 8.050 0.374 -7.697 1.00 0.00 C ATOM 122 CD1 PHE A 38 6.971 1.257 -7.498 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.791 -0.965 -8.047 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.649 0.805 -7.654 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.467 -1.416 -8.189 1.00 0.00 C ATOM 126 CZ PHE A 38 5.394 -0.533 -7.995 1.00 0.00 C ATOM 0 H PHE A 38 9.396 3.134 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 38 9.370 0.629 -5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.645 1.703 -8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.153 0.057 -7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.160 2.285 -7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.612 -1.648 -8.207 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.826 1.490 -7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.275 -2.447 -8.449 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.378 -0.881 -8.107 1.00 0.00 H new ATOM 136 N SER A 39 11.816 -0.215 -5.877 1.00 0.00 N ATOM 137 CA SER A 39 13.228 -0.548 -6.065 1.00 0.00 C ATOM 138 C SER A 39 13.542 -0.640 -7.546 1.00 0.00 C ATOM 139 O SER A 39 12.713 -1.105 -8.325 1.00 0.00 O ATOM 140 CB SER A 39 13.571 -1.863 -5.361 1.00 0.00 C ATOM 141 OG SER A 39 14.929 -2.214 -5.573 1.00 0.00 O ATOM 0 H SER A 39 11.210 -1.024 -5.741 1.00 0.00 H new ATOM 0 HA SER A 39 13.837 0.241 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.379 -1.768 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.924 -2.658 -5.732 1.00 0.00 H new ATOM 0 HG SER A 39 15.125 -3.056 -5.112 1.00 0.00 H new ATOM 147 N ASP A 40 14.753 -0.246 -7.936 1.00 0.00 N ATOM 148 CA ASP A 40 15.254 -0.449 -9.291 1.00 0.00 C ATOM 149 C ASP A 40 15.238 -1.940 -9.688 1.00 0.00 C ATOM 150 O ASP A 40 14.996 -2.262 -10.844 1.00 0.00 O ATOM 151 CB ASP A 40 16.650 0.176 -9.405 1.00 0.00 C ATOM 152 CG ASP A 40 17.079 0.361 -10.866 1.00 0.00 C ATOM 153 OD1 ASP A 40 16.372 1.092 -11.603 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.131 -0.190 -11.264 1.00 0.00 O ATOM 0 H ASP A 40 15.415 0.224 -7.318 1.00 0.00 H new ATOM 0 HA ASP A 40 14.593 0.049 -10.000 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.657 1.142 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.374 -0.457 -8.892 1.00 0.00 H new ATOM 159 N GLU A 41 15.383 -2.869 -8.736 1.00 0.00 N ATOM 160 CA GLU A 41 15.221 -4.313 -8.952 1.00 0.00 C ATOM 161 C GLU A 41 13.783 -4.674 -9.366 1.00 0.00 C ATOM 162 O GLU A 41 13.551 -5.262 -10.424 1.00 0.00 O ATOM 163 CB GLU A 41 15.597 -5.059 -7.663 1.00 0.00 C ATOM 164 CG GLU A 41 17.062 -4.863 -7.254 1.00 0.00 C ATOM 165 CD GLU A 41 17.967 -5.979 -7.811 1.00 0.00 C ATOM 166 OE1 GLU A 41 18.322 -5.936 -9.014 1.00 0.00 O ATOM 167 OE2 GLU A 41 18.335 -6.907 -7.047 1.00 0.00 O ATOM 0 H GLU A 41 15.621 -2.633 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 41 15.879 -4.612 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.952 -4.718 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.404 -6.123 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.414 -3.896 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.136 -4.844 -6.167 1.00 0.00 H new ATOM 174 N GLN A 42 12.808 -4.291 -8.534 1.00 0.00 N ATOM 175 CA GLN A 42 11.372 -4.497 -8.770 1.00 0.00 C ATOM 176 C GLN A 42 10.895 -3.792 -10.053 1.00 0.00 C ATOM 177 O GLN A 42 10.115 -4.361 -10.818 1.00 0.00 O ATOM 178 CB GLN A 42 10.565 -4.043 -7.540 1.00 0.00 C ATOM 179 CG GLN A 42 10.926 -4.812 -6.254 1.00 0.00 C ATOM 180 CD GLN A 42 10.789 -6.329 -6.384 1.00 0.00 C ATOM 181 OE1 GLN A 42 11.763 -7.064 -6.464 1.00 0.00 O ATOM 182 NE2 GLN A 42 9.587 -6.863 -6.416 1.00 0.00 N ATOM 0 H GLN A 42 13.000 -3.815 -7.652 1.00 0.00 H new ATOM 0 HA GLN A 42 11.201 -5.563 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.733 -2.978 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.502 -4.171 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.952 -4.572 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.285 -4.467 -5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.762 -6.267 -6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.480 -7.873 -6.506 1.00 0.00 H new ATOM 191 N TYR A 43 11.416 -2.590 -10.330 1.00 0.00 N ATOM 192 CA TYR A 43 11.187 -1.845 -11.574 1.00 0.00 C ATOM 193 C TYR A 43 11.617 -2.644 -12.798 1.00 0.00 C ATOM 194 O TYR A 43 10.843 -2.858 -13.727 1.00 0.00 O ATOM 195 CB TYR A 43 11.988 -0.542 -11.530 1.00 0.00 C ATOM 196 CG TYR A 43 11.642 0.455 -12.619 1.00 0.00 C ATOM 197 CD1 TYR A 43 10.599 1.380 -12.421 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.385 0.484 -13.815 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.335 2.365 -13.392 1.00 0.00 C ATOM 200 CE2 TYR A 43 12.100 1.446 -14.804 1.00 0.00 C ATOM 201 CZ TYR A 43 11.080 2.397 -14.591 1.00 0.00 C ATOM 202 OH TYR A 43 10.827 3.341 -15.538 1.00 0.00 O ATOM 0 H TYR A 43 12.025 -2.096 -9.677 1.00 0.00 H new ATOM 0 HA TYR A 43 10.119 -1.645 -11.655 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.832 -0.069 -10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.049 -0.782 -11.600 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.001 1.334 -11.523 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.176 -0.234 -13.975 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.561 3.098 -13.219 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.663 1.455 -15.726 1.00 0.00 H new ATOM 0 HH TYR A 43 11.435 3.214 -16.297 1.00 0.00 H new ATOM 212 N GLN A 44 12.870 -3.096 -12.786 1.00 0.00 N ATOM 213 CA GLN A 44 13.479 -3.845 -13.885 1.00 0.00 C ATOM 214 C GLN A 44 12.784 -5.186 -14.152 1.00 0.00 C ATOM 215 O GLN A 44 12.635 -5.577 -15.309 1.00 0.00 O ATOM 216 CB GLN A 44 14.987 -4.066 -13.668 1.00 0.00 C ATOM 217 CG GLN A 44 15.863 -3.229 -14.615 1.00 0.00 C ATOM 218 CD GLN A 44 15.763 -1.707 -14.482 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.832 -0.967 -15.454 1.00 0.00 O ATOM 220 NE2 GLN A 44 15.651 -1.172 -13.291 1.00 0.00 N ATOM 0 H GLN A 44 13.502 -2.950 -11.999 1.00 0.00 H new ATOM 0 HA GLN A 44 13.343 -3.222 -14.769 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.239 -3.819 -12.637 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.217 -5.122 -13.809 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.903 -3.516 -14.459 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.608 -3.498 -15.640 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.592 -1.770 -12.467 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.623 -0.158 -13.188 1.00 0.00 H new ATOM 229 N LYS A 45 12.303 -5.877 -13.113 1.00 0.00 N ATOM 230 CA LYS A 45 11.459 -7.073 -13.260 1.00 0.00 C ATOM 231 C LYS A 45 10.157 -6.753 -14.002 1.00 0.00 C ATOM 232 O LYS A 45 9.786 -7.473 -14.928 1.00 0.00 O ATOM 233 CB LYS A 45 11.247 -7.713 -11.886 1.00 0.00 C ATOM 234 CG LYS A 45 10.817 -9.187 -12.000 1.00 0.00 C ATOM 235 CD LYS A 45 10.947 -9.931 -10.662 1.00 0.00 C ATOM 236 CE LYS A 45 10.382 -11.352 -10.791 1.00 0.00 C ATOM 237 NZ LYS A 45 10.193 -11.997 -9.466 1.00 0.00 N ATOM 0 H LYS A 45 12.487 -5.624 -12.142 1.00 0.00 H new ATOM 0 HA LYS A 45 11.964 -7.809 -13.886 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.169 -7.647 -11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.488 -7.155 -11.339 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.784 -9.237 -12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.428 -9.685 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.994 -9.974 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.413 -9.388 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.428 -11.317 -11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.057 -11.957 -11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.193 -13.031 -9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.968 -11.719 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.285 -11.694 -9.059 1.00 0.00 H new ATOM 251 N LEU A 46 9.527 -5.620 -13.680 1.00 0.00 N ATOM 252 CA LEU A 46 8.391 -5.090 -14.446 1.00 0.00 C ATOM 253 C LEU A 46 8.747 -4.620 -15.863 1.00 0.00 C ATOM 254 O LEU A 46 7.950 -4.779 -16.781 1.00 0.00 O ATOM 255 CB LEU A 46 7.635 -4.022 -13.629 1.00 0.00 C ATOM 256 CG LEU A 46 6.213 -4.531 -13.357 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.467 -3.698 -12.319 1.00 0.00 C ATOM 258 CD2 LEU A 46 5.350 -4.494 -14.623 1.00 0.00 C ATOM 0 H LEU A 46 9.789 -5.043 -12.881 1.00 0.00 H new ATOM 0 HA LEU A 46 7.714 -5.928 -14.614 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.153 -3.827 -12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.602 -3.080 -14.177 1.00 0.00 H new ATOM 0 HG LEU A 46 6.355 -5.548 -12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.468 -4.109 -12.172 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.011 -3.720 -11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.388 -2.668 -12.668 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.350 -4.861 -14.393 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.285 -3.469 -14.989 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.801 -5.125 -15.389 1.00 0.00 H new ATOM 270 N GLU A 47 9.959 -4.130 -16.094 1.00 0.00 N ATOM 271 CA GLU A 47 10.464 -3.878 -17.449 1.00 0.00 C ATOM 272 C GLU A 47 10.631 -5.173 -18.265 1.00 0.00 C ATOM 273 O GLU A 47 10.256 -5.211 -19.439 1.00 0.00 O ATOM 274 CB GLU A 47 11.753 -3.043 -17.413 1.00 0.00 C ATOM 275 CG GLU A 47 12.133 -2.541 -18.812 1.00 0.00 C ATOM 276 CD GLU A 47 13.415 -1.689 -18.782 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.527 -2.259 -18.897 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.317 -0.442 -18.675 1.00 0.00 O ATOM 0 H GLU A 47 10.621 -3.895 -15.355 1.00 0.00 H new ATOM 0 HA GLU A 47 9.708 -3.291 -17.971 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.619 -2.193 -16.744 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.567 -3.644 -17.007 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.277 -3.392 -19.477 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.313 -1.951 -19.222 1.00 0.00 H new ATOM 285 N LYS A 48 11.115 -6.260 -17.652 1.00 0.00 N ATOM 286 CA LYS A 48 11.242 -7.574 -18.297 1.00 0.00 C ATOM 287 C LYS A 48 9.885 -8.174 -18.680 1.00 0.00 C ATOM 288 O LYS A 48 9.766 -8.785 -19.742 1.00 0.00 O ATOM 289 CB LYS A 48 12.057 -8.548 -17.430 1.00 0.00 C ATOM 290 CG LYS A 48 13.558 -8.225 -17.491 1.00 0.00 C ATOM 291 CD LYS A 48 14.387 -9.279 -16.746 1.00 0.00 C ATOM 292 CE LYS A 48 15.881 -8.975 -16.914 1.00 0.00 C ATOM 293 NZ LYS A 48 16.730 -10.025 -16.291 1.00 0.00 N ATOM 0 H LYS A 48 11.433 -6.253 -16.683 1.00 0.00 H new ATOM 0 HA LYS A 48 11.788 -7.413 -19.227 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.713 -8.495 -16.397 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.888 -9.570 -17.770 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.879 -8.176 -18.531 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.739 -7.243 -17.055 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.123 -9.282 -15.688 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.162 -10.273 -17.133 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.119 -8.897 -17.975 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.109 -8.009 -16.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.733 -9.785 -16.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.521 -10.083 -15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.531 -10.943 -16.738 1.00 0.00 H new ATOM 307 N MET A 49 8.848 -7.950 -17.868 1.00 0.00 N ATOM 308 CA MET A 49 7.459 -8.250 -18.178 1.00 0.00 C ATOM 309 C MET A 49 6.958 -7.373 -19.337 1.00 0.00 C ATOM 310 O MET A 49 6.402 -7.877 -20.312 1.00 0.00 O ATOM 311 CB MET A 49 6.653 -7.971 -16.912 1.00 0.00 C ATOM 312 CG MET A 49 6.915 -8.947 -15.759 1.00 0.00 C ATOM 313 SD MET A 49 6.421 -8.293 -14.139 1.00 0.00 S ATOM 314 CE MET A 49 4.659 -7.987 -14.409 1.00 0.00 C ATOM 0 H MET A 49 8.964 -7.538 -16.942 1.00 0.00 H new ATOM 0 HA MET A 49 7.350 -9.289 -18.490 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.875 -6.960 -16.572 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.592 -7.998 -17.160 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.376 -9.875 -15.948 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.976 -9.194 -15.735 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.161 -7.858 -13.448 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.534 -7.084 -15.007 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.219 -8.834 -14.935 1.00 0.00 H new ATOM 324 N ALA A 50 7.193 -6.061 -19.258 1.00 0.00 N ATOM 325 CA ALA A 50 6.761 -5.075 -20.243 1.00 0.00 C ATOM 326 C ALA A 50 7.376 -5.272 -21.634 1.00 0.00 C ATOM 327 O ALA A 50 6.705 -5.016 -22.627 1.00 0.00 O ATOM 328 CB ALA A 50 7.049 -3.684 -19.686 1.00 0.00 C ATOM 0 H ALA A 50 7.706 -5.646 -18.480 1.00 0.00 H new ATOM 0 HA ALA A 50 5.691 -5.205 -20.404 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.733 -2.931 -20.408 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.502 -3.545 -18.753 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.118 -3.581 -19.498 1.00 0.00 H new ATOM 334 N ASN A 51 8.606 -5.776 -21.746 1.00 0.00 N ATOM 335 CA ASN A 51 9.235 -6.112 -23.028 1.00 0.00 C ATOM 336 C ASN A 51 8.434 -7.182 -23.809 1.00 0.00 C ATOM 337 O ASN A 51 8.463 -7.196 -25.039 1.00 0.00 O ATOM 338 CB ASN A 51 10.687 -6.532 -22.742 1.00 0.00 C ATOM 339 CG ASN A 51 11.650 -6.487 -23.927 1.00 0.00 C ATOM 340 OD1 ASN A 51 12.792 -6.064 -23.796 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.281 -6.947 -25.101 1.00 0.00 N ATOM 0 H ASN A 51 9.202 -5.965 -20.940 1.00 0.00 H new ATOM 0 HA ASN A 51 9.238 -5.242 -23.685 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.081 -5.888 -21.956 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.678 -7.548 -22.347 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.940 -6.947 -25.879 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.335 -7.304 -25.234 1.00 0.00 H new ATOM 348 N GLU A 52 7.669 -8.041 -23.127 1.00 0.00 N ATOM 349 CA GLU A 52 6.756 -9.014 -23.743 1.00 0.00 C ATOM 350 C GLU A 52 5.504 -8.349 -24.360 1.00 0.00 C ATOM 351 O GLU A 52 4.922 -8.861 -25.317 1.00 0.00 O ATOM 352 CB GLU A 52 6.359 -10.070 -22.693 1.00 0.00 C ATOM 353 CG GLU A 52 5.831 -11.387 -23.281 1.00 0.00 C ATOM 354 CD GLU A 52 6.933 -12.182 -24.013 1.00 0.00 C ATOM 355 OE1 GLU A 52 7.696 -12.923 -23.347 1.00 0.00 O ATOM 356 OE2 GLU A 52 7.037 -12.083 -25.260 1.00 0.00 O ATOM 0 H GLU A 52 7.666 -8.081 -22.108 1.00 0.00 H new ATOM 0 HA GLU A 52 7.281 -9.493 -24.569 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.226 -10.287 -22.069 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.595 -9.646 -22.041 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.415 -11.999 -22.481 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.018 -11.173 -23.975 1.00 0.00 H new ATOM 363 N GLU A 53 5.116 -7.173 -23.852 1.00 0.00 N ATOM 364 CA GLU A 53 4.062 -6.289 -24.381 1.00 0.00 C ATOM 365 C GLU A 53 4.642 -5.155 -25.266 1.00 0.00 C ATOM 366 O GLU A 53 3.910 -4.311 -25.785 1.00 0.00 O ATOM 367 CB GLU A 53 3.248 -5.756 -23.185 1.00 0.00 C ATOM 368 CG GLU A 53 1.845 -5.219 -23.504 1.00 0.00 C ATOM 369 CD GLU A 53 0.913 -6.317 -24.053 1.00 0.00 C ATOM 370 OE1 GLU A 53 0.330 -7.084 -23.249 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.744 -6.416 -25.293 1.00 0.00 O ATOM 0 H GLU A 53 5.552 -6.788 -23.014 1.00 0.00 H new ATOM 0 HA GLU A 53 3.403 -6.850 -25.044 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.150 -6.558 -22.453 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.820 -4.959 -22.710 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.408 -4.791 -22.602 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.923 -4.413 -24.234 1.00 0.00 H new ATOM 378 N GLU A 54 5.965 -5.161 -25.472 1.00 0.00 N ATOM 379 CA GLU A 54 6.768 -4.223 -26.271 1.00 0.00 C ATOM 380 C GLU A 54 6.917 -2.835 -25.603 1.00 0.00 C ATOM 381 O GLU A 54 6.673 -1.786 -26.203 1.00 0.00 O ATOM 382 CB GLU A 54 6.294 -4.205 -27.740 1.00 0.00 C ATOM 383 CG GLU A 54 7.417 -3.791 -28.696 1.00 0.00 C ATOM 384 CD GLU A 54 6.905 -3.701 -30.147 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.913 -4.731 -30.866 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.497 -2.597 -30.590 1.00 0.00 O ATOM 0 H GLU A 54 6.551 -5.881 -25.050 1.00 0.00 H new ATOM 0 HA GLU A 54 7.794 -4.590 -26.303 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.928 -5.194 -28.016 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.456 -3.515 -27.843 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.823 -2.827 -28.390 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.232 -4.512 -28.639 1.00 0.00 H new ATOM 393 N GLU A 55 7.360 -2.853 -24.341 1.00 0.00 N ATOM 394 CA GLU A 55 7.653 -1.733 -23.432 1.00 0.00 C ATOM 395 C GLU A 55 6.459 -0.803 -23.126 1.00 0.00 C ATOM 396 O GLU A 55 6.079 0.079 -23.902 1.00 0.00 O ATOM 397 CB GLU A 55 8.898 -0.937 -23.846 1.00 0.00 C ATOM 398 CG GLU A 55 10.182 -1.764 -24.026 1.00 0.00 C ATOM 399 CD GLU A 55 10.308 -2.390 -25.430 1.00 0.00 C ATOM 400 OE1 GLU A 55 10.615 -1.654 -26.400 1.00 0.00 O ATOM 401 OE2 GLU A 55 10.145 -3.626 -25.563 1.00 0.00 O ATOM 0 H GLU A 55 7.542 -3.745 -23.881 1.00 0.00 H new ATOM 0 HA GLU A 55 7.874 -2.227 -22.486 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.684 -0.422 -24.782 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.083 -0.169 -23.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.046 -1.126 -23.840 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.204 -2.557 -23.278 1.00 0.00 H new ATOM 408 N SER A 56 5.881 -0.997 -21.941 1.00 0.00 N ATOM 409 CA SER A 56 4.659 -0.367 -21.426 1.00 0.00 C ATOM 410 C SER A 56 4.742 -0.140 -19.905 1.00 0.00 C ATOM 411 O SER A 56 3.729 -0.143 -19.204 1.00 0.00 O ATOM 412 CB SER A 56 3.457 -1.244 -21.810 1.00 0.00 C ATOM 413 OG SER A 56 3.579 -2.545 -21.259 1.00 0.00 O ATOM 0 H SER A 56 6.282 -1.646 -21.264 1.00 0.00 H new ATOM 0 HA SER A 56 4.539 0.619 -21.874 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.536 -0.780 -21.456 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.383 -1.311 -22.895 1.00 0.00 H new ATOM 0 HG SER A 56 2.801 -3.083 -21.516 1.00 0.00 H new ATOM 419 N VAL A 57 5.961 0.014 -19.366 1.00 0.00 N ATOM 420 CA VAL A 57 6.238 0.090 -17.919 1.00 0.00 C ATOM 421 C VAL A 57 5.423 1.229 -17.280 1.00 0.00 C ATOM 422 O VAL A 57 5.600 2.397 -17.632 1.00 0.00 O ATOM 423 CB VAL A 57 7.738 0.279 -17.605 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.004 0.063 -16.107 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.613 -0.728 -18.354 1.00 0.00 C ATOM 0 H VAL A 57 6.803 0.091 -19.936 1.00 0.00 H new ATOM 0 HA VAL A 57 5.938 -0.867 -17.491 1.00 0.00 H new ATOM 0 HB VAL A 57 7.987 1.294 -17.916 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.066 0.200 -15.903 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.427 0.784 -15.527 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.708 -0.948 -15.827 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.660 -0.558 -18.103 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.331 -1.741 -18.066 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.473 -0.604 -19.428 1.00 0.00 H new ATOM 435 N GLY A 58 4.488 0.890 -16.386 1.00 0.00 N ATOM 436 CA GLY A 58 3.487 1.808 -15.817 1.00 0.00 C ATOM 437 C GLY A 58 2.062 1.452 -16.248 1.00 0.00 C ATOM 438 O GLY A 58 1.191 1.227 -15.410 1.00 0.00 O ATOM 0 H GLY A 58 4.402 -0.060 -16.025 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.552 1.784 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.714 2.828 -16.128 1.00 0.00 H new ATOM 442 N SER A 59 1.824 1.288 -17.549 1.00 0.00 N ATOM 443 CA SER A 59 0.591 0.671 -18.049 1.00 0.00 C ATOM 444 C SER A 59 0.499 -0.800 -17.632 1.00 0.00 C ATOM 445 O SER A 59 -0.569 -1.249 -17.223 1.00 0.00 O ATOM 446 CB SER A 59 0.528 0.786 -19.568 1.00 0.00 C ATOM 447 OG SER A 59 0.352 2.136 -19.973 1.00 0.00 O ATOM 0 H SER A 59 2.472 1.575 -18.282 1.00 0.00 H new ATOM 0 HA SER A 59 -0.254 1.202 -17.611 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.445 0.389 -20.004 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.294 0.179 -19.948 1.00 0.00 H new ATOM 0 HG SER A 59 0.317 2.182 -20.951 1.00 0.00 H new ATOM 453 N TYR A 60 1.617 -1.539 -17.650 1.00 0.00 N ATOM 454 CA TYR A 60 1.692 -2.921 -17.158 1.00 0.00 C ATOM 455 C TYR A 60 1.402 -3.024 -15.647 1.00 0.00 C ATOM 456 O TYR A 60 0.690 -3.925 -15.211 1.00 0.00 O ATOM 457 CB TYR A 60 3.065 -3.520 -17.496 1.00 0.00 C ATOM 458 CG TYR A 60 3.038 -5.010 -17.802 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.709 -5.948 -16.803 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.340 -5.464 -19.101 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.677 -7.325 -17.102 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.343 -6.842 -19.396 1.00 0.00 C ATOM 463 CZ TYR A 60 3.006 -7.778 -18.395 1.00 0.00 C ATOM 464 OH TYR A 60 3.010 -9.112 -18.663 1.00 0.00 O ATOM 0 H TYR A 60 2.505 -1.190 -18.011 1.00 0.00 H new ATOM 0 HA TYR A 60 0.915 -3.495 -17.662 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.478 -2.992 -18.355 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.741 -3.345 -16.659 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.480 -5.610 -15.803 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.571 -4.750 -19.877 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.399 -8.035 -16.337 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.603 -7.182 -20.388 1.00 0.00 H new ATOM 0 HH TYR A 60 3.257 -9.257 -19.600 1.00 0.00 H new ATOM 474 N ILE A 61 1.895 -2.062 -14.855 1.00 0.00 N ATOM 475 CA ILE A 61 1.549 -1.891 -13.423 1.00 0.00 C ATOM 476 C ILE A 61 0.043 -1.777 -13.280 1.00 0.00 C ATOM 477 O ILE A 61 -0.583 -2.581 -12.586 1.00 0.00 O ATOM 478 CB ILE A 61 2.236 -0.647 -12.801 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.707 -0.978 -12.557 1.00 0.00 C ATOM 480 CG2 ILE A 61 1.583 -0.144 -11.495 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.559 0.213 -12.129 1.00 0.00 C ATOM 0 H ILE A 61 2.559 -1.364 -15.191 1.00 0.00 H new ATOM 0 HA ILE A 61 1.912 -2.765 -12.883 1.00 0.00 H new ATOM 0 HB ILE A 61 2.121 0.170 -13.514 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.771 -1.749 -11.789 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.128 -1.401 -13.469 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.126 0.727 -11.129 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.546 0.130 -11.689 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.616 -0.934 -10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.588 -0.112 -11.978 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.530 0.978 -12.905 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.168 0.625 -11.199 1.00 0.00 H new ATOM 493 N LYS A 62 -0.542 -0.783 -13.957 1.00 0.00 N ATOM 494 CA LYS A 62 -1.972 -0.526 -13.859 1.00 0.00 C ATOM 495 C LYS A 62 -2.753 -1.779 -14.249 1.00 0.00 C ATOM 496 O LYS A 62 -3.545 -2.264 -13.452 1.00 0.00 O ATOM 497 CB LYS A 62 -2.347 0.729 -14.672 1.00 0.00 C ATOM 498 CG LYS A 62 -3.326 1.617 -13.892 1.00 0.00 C ATOM 499 CD LYS A 62 -3.647 2.920 -14.634 1.00 0.00 C ATOM 500 CE LYS A 62 -4.620 2.700 -15.801 1.00 0.00 C ATOM 501 NZ LYS A 62 -4.776 3.932 -16.620 1.00 0.00 N ATOM 0 H LYS A 62 -0.042 -0.146 -14.577 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.248 -0.304 -12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.447 1.295 -14.909 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.796 0.432 -15.620 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.249 1.066 -13.713 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.901 1.852 -12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.077 3.637 -13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.723 3.358 -15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.257 1.887 -16.430 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.592 2.394 -15.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.674 3.889 -17.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.777 4.765 -15.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.986 4.004 -17.293 1.00 0.00 H new ATOM 515 N ARG A 63 -2.449 -2.380 -15.403 1.00 0.00 N ATOM 516 CA ARG A 63 -2.996 -3.660 -15.898 1.00 0.00 C ATOM 517 C ARG A 63 -3.020 -4.724 -14.803 1.00 0.00 C ATOM 518 O ARG A 63 -4.039 -5.377 -14.629 1.00 0.00 O ATOM 519 CB ARG A 63 -2.202 -4.112 -17.141 1.00 0.00 C ATOM 520 CG ARG A 63 -2.545 -5.527 -17.646 1.00 0.00 C ATOM 521 CD ARG A 63 -1.635 -5.960 -18.806 1.00 0.00 C ATOM 522 NE ARG A 63 -1.943 -5.244 -20.062 1.00 0.00 N ATOM 523 CZ ARG A 63 -2.779 -5.617 -21.016 1.00 0.00 C ATOM 524 NH1 ARG A 63 -3.492 -6.705 -20.933 1.00 0.00 N ATOM 525 NH2 ARG A 63 -2.928 -4.885 -22.084 1.00 0.00 N ATOM 0 H ARG A 63 -1.781 -1.971 -16.056 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.035 -3.512 -16.193 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.380 -3.400 -17.947 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.138 -4.072 -16.910 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.449 -6.238 -16.825 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.585 -5.554 -17.971 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.595 -5.780 -18.534 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.742 -7.033 -18.967 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.455 -4.361 -20.210 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.416 -7.303 -20.110 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.126 -6.958 -21.691 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.398 -4.019 -22.187 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.574 -5.178 -22.817 1.00 0.00 H new ATOM 539 N TYR A 64 -1.942 -4.882 -14.040 1.00 0.00 N ATOM 540 CA TYR A 64 -1.815 -5.897 -12.994 1.00 0.00 C ATOM 541 C TYR A 64 -2.704 -5.636 -11.763 1.00 0.00 C ATOM 542 O TYR A 64 -3.345 -6.552 -11.249 1.00 0.00 O ATOM 543 CB TYR A 64 -0.336 -6.042 -12.610 1.00 0.00 C ATOM 544 CG TYR A 64 0.097 -7.495 -12.579 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.389 -8.352 -11.571 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.889 -8.014 -13.620 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.104 -9.729 -11.622 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.187 -9.390 -13.667 1.00 0.00 C ATOM 549 CZ TYR A 64 0.683 -10.251 -12.669 1.00 0.00 C ATOM 550 OH TYR A 64 0.869 -11.595 -12.758 1.00 0.00 O ATOM 0 H TYR A 64 -1.113 -4.295 -14.133 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.182 -6.838 -13.403 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.280 -5.494 -13.323 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.168 -5.592 -11.632 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.980 -7.952 -10.760 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.270 -7.355 -14.386 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.489 -10.388 -10.857 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.799 -9.785 -14.464 1.00 0.00 H new ATOM 0 HH TYR A 64 1.433 -11.796 -13.533 1.00 0.00 H new ATOM 560 N ILE A 65 -2.801 -4.377 -11.335 1.00 0.00 N ATOM 561 CA ILE A 65 -3.743 -3.895 -10.306 1.00 0.00 C ATOM 562 C ILE A 65 -5.184 -4.088 -10.783 1.00 0.00 C ATOM 563 O ILE A 65 -6.018 -4.599 -10.043 1.00 0.00 O ATOM 564 CB ILE A 65 -3.459 -2.415 -9.937 1.00 0.00 C ATOM 565 CG1 ILE A 65 -2.150 -2.223 -9.145 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.589 -1.728 -9.150 1.00 0.00 C ATOM 567 CD1 ILE A 65 -2.090 -2.953 -7.794 1.00 0.00 C ATOM 0 H ILE A 65 -2.208 -3.633 -11.704 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.601 -4.484 -9.400 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.374 -1.940 -10.914 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.318 -2.564 -9.761 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.002 -1.157 -8.971 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.307 -0.697 -8.934 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.503 -1.738 -9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.758 -2.262 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.131 -2.755 -7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.896 -2.597 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.201 -4.025 -7.955 1.00 0.00 H new ATOM 579 N LEU A 66 -5.468 -3.734 -12.037 1.00 0.00 N ATOM 580 CA LEU A 66 -6.793 -3.781 -12.661 1.00 0.00 C ATOM 581 C LEU A 66 -7.243 -5.237 -12.863 1.00 0.00 C ATOM 582 O LEU A 66 -8.415 -5.561 -12.672 1.00 0.00 O ATOM 583 CB LEU A 66 -6.730 -3.000 -13.989 1.00 0.00 C ATOM 584 CG LEU A 66 -6.866 -1.459 -13.899 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.359 -0.780 -12.620 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.128 -0.813 -15.077 1.00 0.00 C ATOM 0 H LEU A 66 -4.749 -3.391 -12.675 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.537 -3.315 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.781 -3.230 -14.474 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.520 -3.373 -14.641 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.945 -1.303 -13.907 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.516 0.296 -12.693 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.905 -1.169 -11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.295 -0.984 -12.497 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.223 0.271 -15.015 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.074 -1.088 -15.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.562 -1.162 -16.014 1.00 0.00 H new ATOM 598 N LYS A 67 -6.294 -6.131 -13.166 1.00 0.00 N ATOM 599 CA LYS A 67 -6.467 -7.582 -13.225 1.00 0.00 C ATOM 600 C LYS A 67 -6.817 -8.153 -11.852 1.00 0.00 C ATOM 601 O LYS A 67 -7.805 -8.872 -11.717 1.00 0.00 O ATOM 602 CB LYS A 67 -5.194 -8.223 -13.805 1.00 0.00 C ATOM 603 CG LYS A 67 -5.402 -9.716 -14.109 1.00 0.00 C ATOM 604 CD LYS A 67 -4.176 -10.387 -14.746 1.00 0.00 C ATOM 605 CE LYS A 67 -3.027 -10.574 -13.744 1.00 0.00 C ATOM 606 NZ LYS A 67 -1.932 -11.397 -14.321 1.00 0.00 N ATOM 0 H LYS A 67 -5.340 -5.845 -13.387 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.304 -7.818 -13.882 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.907 -7.702 -14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.372 -8.106 -13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.651 -10.236 -13.184 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.256 -9.827 -14.777 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.465 -11.358 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.829 -9.783 -15.585 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.636 -9.600 -13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.405 -11.051 -12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.044 -11.194 -13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.165 -12.405 -14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.820 -11.168 -15.329 1.00 0.00 H new ATOM 620 N ALA A 68 -6.039 -7.804 -10.827 1.00 0.00 N ATOM 621 CA ALA A 68 -6.274 -8.256 -9.455 1.00 0.00 C ATOM 622 C ALA A 68 -7.576 -7.689 -8.839 1.00 0.00 C ATOM 623 O ALA A 68 -8.188 -8.327 -7.981 1.00 0.00 O ATOM 624 CB ALA A 68 -5.037 -7.905 -8.626 1.00 0.00 C ATOM 0 H ALA A 68 -5.225 -7.197 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.427 -9.335 -9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.184 -8.231 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.164 -8.407 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.880 -6.827 -8.646 1.00 0.00 H new ATOM 630 N LEU A 69 -8.053 -6.536 -9.324 1.00 0.00 N ATOM 631 CA LEU A 69 -9.301 -5.874 -8.918 1.00 0.00 C ATOM 632 C LEU A 69 -10.556 -6.688 -9.257 1.00 0.00 C ATOM 633 O LEU A 69 -11.583 -6.532 -8.593 1.00 0.00 O ATOM 634 CB LEU A 69 -9.382 -4.486 -9.593 1.00 0.00 C ATOM 635 CG LEU A 69 -9.521 -3.299 -8.628 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.238 -3.045 -7.840 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.820 -2.026 -9.421 1.00 0.00 C ATOM 0 H LEU A 69 -7.556 -6.013 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.276 -5.778 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.486 -4.340 -10.197 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.231 -4.480 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.327 -3.547 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.384 -2.197 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.989 -3.930 -7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.424 -2.826 -8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.918 -1.185 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.005 -1.832 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.750 -2.153 -9.975 1.00 0.00 H new ATOM 649 N ARG A 70 -10.472 -7.568 -10.266 1.00 0.00 N ATOM 650 CA ARG A 70 -11.570 -8.439 -10.716 1.00 0.00 C ATOM 651 C ARG A 70 -12.144 -9.278 -9.569 1.00 0.00 C ATOM 652 O ARG A 70 -13.364 -9.359 -9.420 1.00 0.00 O ATOM 653 CB ARG A 70 -11.124 -9.333 -11.885 1.00 0.00 C ATOM 654 CG ARG A 70 -10.791 -8.523 -13.152 1.00 0.00 C ATOM 655 CD ARG A 70 -10.304 -9.421 -14.297 1.00 0.00 C ATOM 656 NE ARG A 70 -11.375 -10.299 -14.812 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.250 -11.297 -15.668 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.100 -11.631 -16.180 1.00 0.00 N ATOM 659 NH2 ARG A 70 -12.292 -11.987 -16.033 1.00 0.00 N ATOM 0 H ARG A 70 -9.616 -7.697 -10.806 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.370 -7.789 -11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.248 -9.908 -11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.914 -10.049 -12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.675 -7.973 -13.474 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.024 -7.785 -12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.925 -8.799 -15.108 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.472 -10.032 -13.948 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.317 -10.113 -14.468 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.258 -11.116 -15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.041 -12.408 -16.838 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.212 -11.758 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.188 -12.756 -16.695 1.00 0.00 H new ATOM 673 N LYS A 71 -11.254 -9.856 -8.752 1.00 0.00 N ATOM 674 CA LYS A 71 -11.528 -10.499 -7.454 1.00 0.00 C ATOM 675 C LYS A 71 -10.414 -10.188 -6.441 1.00 0.00 C ATOM 676 O LYS A 71 -9.519 -11.008 -6.222 1.00 0.00 O ATOM 677 CB LYS A 71 -11.765 -12.012 -7.587 1.00 0.00 C ATOM 678 CG LYS A 71 -13.078 -12.424 -8.282 1.00 0.00 C ATOM 679 CD LYS A 71 -12.959 -12.653 -9.802 1.00 0.00 C ATOM 680 CE LYS A 71 -12.820 -14.134 -10.191 1.00 0.00 C ATOM 681 NZ LYS A 71 -11.540 -14.739 -9.738 1.00 0.00 N ATOM 0 H LYS A 71 -10.263 -9.891 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.458 -10.074 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.931 -12.445 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.749 -12.453 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.447 -13.339 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.826 -11.652 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.839 -12.238 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.095 -12.104 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.651 -14.695 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.896 -14.227 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.505 -15.737 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.743 -14.225 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.475 -14.679 -8.702 1.00 0.00 H new ATOM 695 N ILE A 72 -10.469 -9.002 -5.825 1.00 0.00 N ATOM 696 CA ILE A 72 -9.655 -8.642 -4.649 1.00 0.00 C ATOM 697 C ILE A 72 -9.758 -9.705 -3.533 1.00 0.00 C ATOM 698 O ILE A 72 -8.739 -10.157 -3.004 1.00 0.00 O ATOM 699 CB ILE A 72 -10.055 -7.239 -4.122 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.759 -6.168 -5.198 1.00 0.00 C ATOM 701 CG2 ILE A 72 -9.323 -6.921 -2.807 1.00 0.00 C ATOM 702 CD1 ILE A 72 -10.012 -4.715 -4.777 1.00 0.00 C ATOM 0 H ILE A 72 -11.088 -8.251 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.612 -8.609 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.125 -7.233 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.716 -6.263 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.368 -6.384 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.619 -5.932 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.584 -7.666 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.246 -6.939 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.772 -4.049 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.060 -4.592 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.383 -4.470 -3.921 1.00 0.00 H new ATOM 714 N GLU A 73 -10.986 -10.080 -3.156 1.00 0.00 N ATOM 715 CA GLU A 73 -11.319 -11.052 -2.101 1.00 0.00 C ATOM 716 C GLU A 73 -10.930 -12.515 -2.415 1.00 0.00 C ATOM 717 O GLU A 73 -11.110 -12.981 -3.564 1.00 0.00 O ATOM 718 CB GLU A 73 -12.806 -10.923 -1.713 1.00 0.00 C ATOM 719 CG GLU A 73 -13.853 -11.058 -2.836 1.00 0.00 C ATOM 720 CD GLU A 73 -14.126 -9.721 -3.566 1.00 0.00 C ATOM 721 OE1 GLU A 73 -13.385 -9.378 -4.519 1.00 0.00 O ATOM 722 OE2 GLU A 73 -15.089 -9.006 -3.191 1.00 0.00 O ATOM 0 H GLU A 73 -11.820 -9.695 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.696 -10.792 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.023 -11.680 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.946 -9.952 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.510 -11.798 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.785 -11.433 -2.414 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 15.598 7.276 -5.072 1.00 0.00 N ATOM 731 CA THR B 31 14.791 6.080 -5.379 1.00 0.00 C ATOM 732 C THR B 31 14.186 6.165 -6.789 1.00 0.00 C ATOM 733 O THR B 31 14.383 7.156 -7.501 1.00 0.00 O ATOM 734 CB THR B 31 13.718 5.905 -4.288 1.00 0.00 C ATOM 735 OG1 THR B 31 13.018 4.690 -4.419 1.00 0.00 O ATOM 736 CG2 THR B 31 12.690 7.037 -4.237 1.00 0.00 C ATOM 0 HA THR B 31 15.429 5.196 -5.378 1.00 0.00 H new ATOM 0 HB THR B 31 14.289 5.916 -3.360 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.349 4.619 -3.706 1.00 0.00 H new ATOM 0 HG21 THR B 31 11.970 6.839 -3.443 1.00 0.00 H new ATOM 0 HG22 THR B 31 13.198 7.981 -4.039 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.169 7.099 -5.192 1.00 0.00 H new ATOM 744 N ARG B 32 13.470 5.121 -7.217 1.00 0.00 N ATOM 745 CA ARG B 32 12.765 5.051 -8.503 1.00 0.00 C ATOM 746 C ARG B 32 11.505 5.931 -8.488 1.00 0.00 C ATOM 747 O ARG B 32 10.961 6.251 -7.431 1.00 0.00 O ATOM 748 CB ARG B 32 12.444 3.574 -8.810 1.00 0.00 C ATOM 749 CG ARG B 32 12.452 3.202 -10.296 1.00 0.00 C ATOM 750 CD ARG B 32 13.856 3.160 -10.920 1.00 0.00 C ATOM 751 NE ARG B 32 14.272 4.435 -11.538 1.00 0.00 N ATOM 752 CZ ARG B 32 15.441 4.691 -12.101 1.00 0.00 C ATOM 753 NH1 ARG B 32 16.383 3.798 -12.208 1.00 0.00 N ATOM 754 NH2 ARG B 32 15.692 5.876 -12.584 1.00 0.00 N ATOM 0 H ARG B 32 13.361 4.273 -6.661 1.00 0.00 H new ATOM 0 HA ARG B 32 13.400 5.442 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG B 32 13.167 2.946 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.463 3.338 -8.398 1.00 0.00 H new ATOM 0 HG2 ARG B 32 11.981 2.227 -10.419 1.00 0.00 H new ATOM 0 HG3 ARG B 32 11.843 3.921 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG B 32 14.578 2.888 -10.150 1.00 0.00 H new ATOM 0 HD3 ARG B 32 13.884 2.375 -11.675 1.00 0.00 H new ATOM 0 HE ARG B 32 13.590 5.194 -11.530 1.00 0.00 H new ATOM 0 HH11 ARG B 32 16.235 2.855 -11.849 1.00 0.00 H new ATOM 0 HH12 ARG B 32 17.269 4.042 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG B 32 14.985 6.610 -12.528 1.00 0.00 H new ATOM 0 HH22 ARG B 32 16.595 6.069 -13.017 1.00 0.00 H new ATOM 768 N ALA B 33 11.025 6.283 -9.675 1.00 0.00 N ATOM 769 CA ALA B 33 9.894 7.180 -9.918 1.00 0.00 C ATOM 770 C ALA B 33 8.820 6.463 -10.753 1.00 0.00 C ATOM 771 O ALA B 33 9.031 6.171 -11.932 1.00 0.00 O ATOM 772 CB ALA B 33 10.426 8.451 -10.595 1.00 0.00 C ATOM 0 H ALA B 33 11.434 5.934 -10.542 1.00 0.00 H new ATOM 0 HA ALA B 33 9.413 7.467 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.599 9.135 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA B 33 11.153 8.934 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.904 8.188 -11.538 1.00 0.00 H new ATOM 778 N VAL B 34 7.690 6.123 -10.123 1.00 0.00 N ATOM 779 CA VAL B 34 6.664 5.221 -10.661 1.00 0.00 C ATOM 780 C VAL B 34 5.285 5.849 -10.495 1.00 0.00 C ATOM 781 O VAL B 34 4.649 5.724 -9.456 1.00 0.00 O ATOM 782 CB VAL B 34 6.766 3.824 -10.021 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.762 2.863 -10.653 1.00 0.00 C ATOM 784 CG2 VAL B 34 8.164 3.223 -10.224 1.00 0.00 C ATOM 0 H VAL B 34 7.457 6.479 -9.196 1.00 0.00 H new ATOM 0 HA VAL B 34 6.831 5.078 -11.729 1.00 0.00 H new ATOM 0 HB VAL B 34 6.560 3.950 -8.958 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.852 1.883 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.751 3.244 -10.505 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.964 2.776 -11.720 1.00 0.00 H new ATOM 0 HG21 VAL B 34 8.207 2.237 -9.762 1.00 0.00 H new ATOM 0 HG22 VAL B 34 8.370 3.133 -11.291 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.909 3.872 -9.764 1.00 0.00 H new ATOM 794 N SER B 35 4.844 6.573 -11.518 1.00 0.00 N ATOM 795 CA SER B 35 3.640 7.414 -11.493 1.00 0.00 C ATOM 796 C SER B 35 2.564 6.909 -12.447 1.00 0.00 C ATOM 797 O SER B 35 2.800 6.741 -13.648 1.00 0.00 O ATOM 798 CB SER B 35 3.990 8.874 -11.758 1.00 0.00 C ATOM 799 OG SER B 35 2.882 9.697 -11.431 1.00 0.00 O ATOM 0 H SER B 35 5.325 6.595 -12.417 1.00 0.00 H new ATOM 0 HA SER B 35 3.218 7.348 -10.490 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.858 9.163 -11.166 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.260 9.009 -12.805 1.00 0.00 H new ATOM 0 HG SER B 35 3.110 10.635 -11.600 1.00 0.00 H new ATOM 805 N LEU B 36 1.390 6.628 -11.884 1.00 0.00 N ATOM 806 CA LEU B 36 0.238 6.019 -12.542 1.00 0.00 C ATOM 807 C LEU B 36 -0.908 7.028 -12.666 1.00 0.00 C ATOM 808 O LEU B 36 -0.942 8.042 -11.967 1.00 0.00 O ATOM 809 CB LEU B 36 -0.226 4.776 -11.747 1.00 0.00 C ATOM 810 CG LEU B 36 0.758 3.600 -11.589 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.496 3.276 -12.886 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.777 3.799 -10.467 1.00 0.00 C ATOM 0 H LEU B 36 1.208 6.831 -10.901 1.00 0.00 H new ATOM 0 HA LEU B 36 0.532 5.710 -13.545 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.511 5.107 -10.748 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.128 4.393 -12.225 1.00 0.00 H new ATOM 0 HG LEU B 36 0.124 2.756 -11.319 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.176 2.441 -12.719 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.775 3.008 -13.658 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.065 4.148 -13.208 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.435 2.932 -10.415 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.369 4.692 -10.667 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.255 3.915 -9.517 1.00 0.00 H new ATOM 824 N TYR B 37 -1.871 6.710 -13.529 1.00 0.00 N ATOM 825 CA TYR B 37 -3.066 7.506 -13.800 1.00 0.00 C ATOM 826 C TYR B 37 -4.300 6.599 -13.790 1.00 0.00 C ATOM 827 O TYR B 37 -4.752 6.122 -14.836 1.00 0.00 O ATOM 828 CB TYR B 37 -2.885 8.267 -15.123 1.00 0.00 C ATOM 829 CG TYR B 37 -1.911 9.425 -15.024 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.363 10.675 -14.556 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.558 9.257 -15.381 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.472 11.756 -14.454 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.342 10.337 -15.268 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.114 11.592 -14.805 1.00 0.00 C ATOM 835 OH TYR B 37 0.744 12.644 -14.700 1.00 0.00 O ATOM 0 H TYR B 37 -1.838 5.854 -14.082 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.217 8.253 -13.021 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.536 7.573 -15.888 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.853 8.644 -15.452 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.398 10.802 -14.275 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.210 8.300 -15.741 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.826 12.715 -14.106 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.380 10.205 -15.535 1.00 0.00 H new ATOM 0 HH TYR B 37 1.641 12.364 -14.979 1.00 0.00 H new ATOM 845 N PHE B 38 -4.821 6.299 -12.599 1.00 0.00 N ATOM 846 CA PHE B 38 -6.054 5.555 -12.419 1.00 0.00 C ATOM 847 C PHE B 38 -7.274 6.373 -12.855 1.00 0.00 C ATOM 848 O PHE B 38 -7.215 7.599 -13.001 1.00 0.00 O ATOM 849 CB PHE B 38 -6.167 5.212 -10.934 1.00 0.00 C ATOM 850 CG PHE B 38 -5.264 4.100 -10.441 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.371 2.796 -10.963 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.356 4.357 -9.402 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.570 1.761 -10.444 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.556 3.326 -8.885 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.655 2.029 -9.411 1.00 0.00 C ATOM 0 H PHE B 38 -4.384 6.575 -11.720 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.031 4.656 -13.035 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.953 6.111 -10.356 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.200 4.936 -10.722 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.068 2.590 -11.762 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -4.272 5.355 -8.998 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.659 0.760 -10.840 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.864 3.531 -8.082 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.030 1.238 -9.023 1.00 0.00 H new ATOM 865 N SER B 39 -8.410 5.687 -12.971 1.00 0.00 N ATOM 866 CA SER B 39 -9.706 6.305 -13.215 1.00 0.00 C ATOM 867 C SER B 39 -10.648 6.047 -12.052 1.00 0.00 C ATOM 868 O SER B 39 -11.301 5.008 -11.987 1.00 0.00 O ATOM 869 CB SER B 39 -10.275 5.890 -14.575 1.00 0.00 C ATOM 870 OG SER B 39 -11.393 6.701 -14.893 1.00 0.00 O ATOM 0 H SER B 39 -8.453 4.671 -12.896 1.00 0.00 H new ATOM 0 HA SER B 39 -9.579 7.386 -13.272 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.510 5.990 -15.346 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.570 4.841 -14.552 1.00 0.00 H new ATOM 0 HG SER B 39 -11.754 6.434 -15.764 1.00 0.00 H new ATOM 876 N ASP B 40 -10.634 7.011 -11.126 1.00 0.00 N ATOM 877 CA ASP B 40 -11.495 7.280 -9.967 1.00 0.00 C ATOM 878 C ASP B 40 -12.042 6.057 -9.215 1.00 0.00 C ATOM 879 O ASP B 40 -11.646 5.834 -8.076 1.00 0.00 O ATOM 880 CB ASP B 40 -12.601 8.249 -10.419 1.00 0.00 C ATOM 881 CG ASP B 40 -13.296 8.929 -9.236 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.619 9.734 -8.555 1.00 0.00 O ATOM 883 OD2 ASP B 40 -14.501 8.677 -9.000 1.00 0.00 O ATOM 0 H ASP B 40 -9.910 7.727 -11.182 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.864 7.731 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.171 9.009 -11.071 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.340 7.705 -11.008 1.00 0.00 H new ATOM 888 N GLU B 41 -12.927 5.254 -9.804 1.00 0.00 N ATOM 889 CA GLU B 41 -13.335 3.936 -9.299 1.00 0.00 C ATOM 890 C GLU B 41 -12.130 3.037 -9.004 1.00 0.00 C ATOM 891 O GLU B 41 -12.013 2.507 -7.904 1.00 0.00 O ATOM 892 CB GLU B 41 -14.226 3.238 -10.335 1.00 0.00 C ATOM 893 CG GLU B 41 -15.533 3.985 -10.622 1.00 0.00 C ATOM 894 CD GLU B 41 -16.706 3.447 -9.778 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.622 3.469 -8.525 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.723 2.999 -10.363 1.00 0.00 O ATOM 0 H GLU B 41 -13.397 5.507 -10.673 1.00 0.00 H new ATOM 0 HA GLU B 41 -13.879 4.099 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.669 3.127 -11.265 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.461 2.234 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.396 5.047 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.777 3.894 -11.680 1.00 0.00 H new ATOM 903 N GLN B 42 -11.211 2.903 -9.966 1.00 0.00 N ATOM 904 CA GLN B 42 -9.955 2.144 -9.847 1.00 0.00 C ATOM 905 C GLN B 42 -9.125 2.602 -8.639 1.00 0.00 C ATOM 906 O GLN B 42 -8.661 1.783 -7.843 1.00 0.00 O ATOM 907 CB GLN B 42 -9.122 2.308 -11.128 1.00 0.00 C ATOM 908 CG GLN B 42 -9.791 1.768 -12.403 1.00 0.00 C ATOM 909 CD GLN B 42 -8.965 2.046 -13.659 1.00 0.00 C ATOM 910 OE1 GLN B 42 -8.023 2.830 -13.675 1.00 0.00 O ATOM 911 NE2 GLN B 42 -9.298 1.433 -14.774 1.00 0.00 N ATOM 0 H GLN B 42 -11.323 3.335 -10.883 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.216 1.096 -9.702 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.903 3.366 -11.269 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -8.167 1.800 -10.992 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -9.943 0.693 -12.302 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -10.776 2.221 -12.512 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.079 0.777 -14.782 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -8.775 1.614 -15.631 1.00 0.00 H new ATOM 920 N TYR B 43 -8.969 3.921 -8.488 1.00 0.00 N ATOM 921 CA TYR B 43 -8.248 4.528 -7.367 1.00 0.00 C ATOM 922 C TYR B 43 -8.955 4.266 -6.026 1.00 0.00 C ATOM 923 O TYR B 43 -8.336 3.838 -5.052 1.00 0.00 O ATOM 924 CB TYR B 43 -8.105 6.032 -7.646 1.00 0.00 C ATOM 925 CG TYR B 43 -7.292 6.818 -6.635 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.113 6.279 -6.085 1.00 0.00 C ATOM 927 CD2 TYR B 43 -7.693 8.118 -6.273 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.365 7.033 -5.167 1.00 0.00 C ATOM 929 CE2 TYR B 43 -6.930 8.883 -5.372 1.00 0.00 C ATOM 930 CZ TYR B 43 -5.761 8.336 -4.805 1.00 0.00 C ATOM 931 OH TYR B 43 -5.010 9.054 -3.925 1.00 0.00 O ATOM 0 H TYR B 43 -9.344 4.603 -9.147 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.261 4.075 -7.280 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -7.648 6.158 -8.628 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.102 6.468 -7.700 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -5.786 5.290 -6.368 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -8.598 8.533 -6.692 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.473 6.608 -4.732 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -7.239 9.886 -5.116 1.00 0.00 H new ATOM 0 HH TYR B 43 -5.422 9.932 -3.784 1.00 0.00 H new ATOM 941 N GLN B 44 -10.272 4.463 -5.991 1.00 0.00 N ATOM 942 CA GLN B 44 -11.126 4.258 -4.821 1.00 0.00 C ATOM 943 C GLN B 44 -11.205 2.797 -4.377 1.00 0.00 C ATOM 944 O GLN B 44 -11.259 2.522 -3.183 1.00 0.00 O ATOM 945 CB GLN B 44 -12.536 4.783 -5.104 1.00 0.00 C ATOM 946 CG GLN B 44 -12.608 6.301 -4.867 1.00 0.00 C ATOM 947 CD GLN B 44 -13.866 6.930 -5.458 1.00 0.00 C ATOM 948 OE1 GLN B 44 -14.717 7.483 -4.773 1.00 0.00 O ATOM 949 NE2 GLN B 44 -13.998 6.886 -6.763 1.00 0.00 N ATOM 0 H GLN B 44 -10.794 4.782 -6.807 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.668 4.814 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -12.814 4.557 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.255 4.275 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -12.577 6.499 -3.796 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -11.730 6.775 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -13.288 6.425 -7.332 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -14.810 7.313 -7.208 1.00 0.00 H new ATOM 958 N LYS B 45 -11.168 1.845 -5.308 1.00 0.00 N ATOM 959 CA LYS B 45 -11.053 0.412 -5.035 1.00 0.00 C ATOM 960 C LYS B 45 -9.760 0.094 -4.277 1.00 0.00 C ATOM 961 O LYS B 45 -9.786 -0.724 -3.357 1.00 0.00 O ATOM 962 CB LYS B 45 -11.131 -0.370 -6.357 1.00 0.00 C ATOM 963 CG LYS B 45 -12.438 -1.151 -6.590 1.00 0.00 C ATOM 964 CD LYS B 45 -13.551 -0.359 -7.299 1.00 0.00 C ATOM 965 CE LYS B 45 -14.218 0.739 -6.456 1.00 0.00 C ATOM 966 NZ LYS B 45 -15.124 0.182 -5.414 1.00 0.00 N ATOM 0 H LYS B 45 -11.219 2.056 -6.305 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.881 0.107 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -10.995 0.330 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.298 -1.072 -6.393 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.213 -2.039 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.815 -1.495 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.133 0.098 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.319 -1.059 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.448 1.345 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.785 1.402 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.550 0.961 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.876 -0.375 -5.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -14.580 -0.430 -4.772 1.00 0.00 H new ATOM 980 N LEU B 46 -8.647 0.766 -4.604 1.00 0.00 N ATOM 981 CA LEU B 46 -7.418 0.635 -3.823 1.00 0.00 C ATOM 982 C LEU B 46 -7.472 1.409 -2.491 1.00 0.00 C ATOM 983 O LEU B 46 -6.932 0.939 -1.493 1.00 0.00 O ATOM 984 CB LEU B 46 -6.203 0.993 -4.687 1.00 0.00 C ATOM 985 CG LEU B 46 -5.743 -0.059 -5.736 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.226 0.020 -5.933 1.00 0.00 C ATOM 987 CD2 LEU B 46 -5.993 -1.514 -5.339 1.00 0.00 C ATOM 0 H LEU B 46 -8.577 1.401 -5.399 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.313 -0.409 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -6.425 1.921 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.364 1.197 -4.022 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.327 0.187 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.916 -0.721 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.956 1.016 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -3.725 -0.178 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.640 -2.173 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -5.457 -1.737 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.061 -1.671 -5.185 1.00 0.00 H new ATOM 999 N GLU B 47 -8.191 2.529 -2.415 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.503 3.220 -1.148 1.00 0.00 C ATOM 1001 C GLU B 47 -9.354 2.373 -0.179 1.00 0.00 C ATOM 1002 O GLU B 47 -9.080 2.331 1.022 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.154 4.580 -1.436 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.223 5.481 -0.196 1.00 0.00 C ATOM 1005 CD GLU B 47 -9.839 6.851 -0.545 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.084 6.946 -0.667 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.084 7.842 -0.692 1.00 0.00 O ATOM 0 H GLU B 47 -8.581 2.993 -3.236 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.557 3.382 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.591 5.089 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.161 4.421 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -9.818 4.997 0.578 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.222 5.621 0.213 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.350 1.641 -0.691 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.203 0.716 0.067 1.00 0.00 C ATOM 1016 C LYS B 48 -10.401 -0.434 0.680 1.00 0.00 C ATOM 1017 O LYS B 48 -10.701 -0.857 1.795 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.337 0.182 -0.830 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.406 1.235 -1.185 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.645 1.221 -0.274 1.00 0.00 C ATOM 1021 CE LYS B 48 -14.334 1.629 1.171 1.00 0.00 C ATOM 1022 NZ LYS B 48 -15.573 1.703 1.992 1.00 0.00 N ATOM 0 H LYS B 48 -10.594 1.677 -1.681 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.641 1.272 0.895 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.904 -0.206 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.820 -0.656 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.951 2.225 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.726 1.076 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -15.396 1.897 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.080 0.221 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.645 0.910 1.614 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.833 2.597 1.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -15.329 1.981 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -16.220 2.407 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.037 0.772 2.004 1.00 0.00 H new ATOM 1036 N MET B 49 -9.349 -0.898 0.001 1.00 0.00 N ATOM 1037 CA MET B 49 -8.341 -1.787 0.549 1.00 0.00 C ATOM 1038 C MET B 49 -7.426 -1.088 1.560 1.00 0.00 C ATOM 1039 O MET B 49 -7.185 -1.637 2.630 1.00 0.00 O ATOM 1040 CB MET B 49 -7.512 -2.329 -0.610 1.00 0.00 C ATOM 1041 CG MET B 49 -8.148 -3.542 -1.291 1.00 0.00 C ATOM 1042 SD MET B 49 -6.930 -4.813 -1.716 1.00 0.00 S ATOM 1043 CE MET B 49 -5.901 -3.853 -2.846 1.00 0.00 C ATOM 0 H MET B 49 -9.177 -0.654 -0.974 1.00 0.00 H new ATOM 0 HA MET B 49 -8.844 -2.590 1.087 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.371 -1.539 -1.348 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.523 -2.603 -0.243 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.902 -3.971 -0.632 1.00 0.00 H new ATOM 0 HG3 MET B 49 -8.663 -3.219 -2.196 1.00 0.00 H new ATOM 0 HE1 MET B 49 -4.858 -4.145 -2.725 1.00 0.00 H new ATOM 0 HE2 MET B 49 -6.214 -4.042 -3.873 1.00 0.00 H new ATOM 0 HE3 MET B 49 -6.009 -2.791 -2.623 1.00 0.00 H new ATOM 1053 N ALA B 50 -6.946 0.126 1.274 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.082 0.895 2.173 1.00 0.00 C ATOM 1055 C ALA B 50 -6.709 1.140 3.555 1.00 0.00 C ATOM 1056 O ALA B 50 -5.989 1.198 4.550 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.671 2.199 1.485 1.00 0.00 C ATOM 0 H ALA B 50 -7.150 0.609 0.399 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.191 0.300 2.374 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.028 2.775 2.151 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.131 1.971 0.566 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.561 2.781 1.248 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.039 1.209 3.653 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.791 1.260 4.910 1.00 0.00 C ATOM 1065 C ASN B 51 -8.508 0.065 5.851 1.00 0.00 C ATOM 1066 O ASN B 51 -8.635 0.202 7.066 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.281 1.386 4.564 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.148 1.593 5.797 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.067 2.605 6.478 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -12.014 0.657 6.116 1.00 0.00 N ATOM 0 H ASN B 51 -8.643 1.232 2.831 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.462 2.129 5.479 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.423 2.222 3.879 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.607 0.487 4.041 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.617 0.776 6.930 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -12.083 -0.188 5.549 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.056 -1.079 5.323 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.580 -2.231 6.101 1.00 0.00 C ATOM 1079 C GLU B 52 -6.299 -1.912 6.900 1.00 0.00 C ATOM 1080 O GLU B 52 -6.188 -2.270 8.074 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.347 -3.425 5.159 1.00 0.00 C ATOM 1082 CG GLU B 52 -7.058 -4.738 5.894 1.00 0.00 C ATOM 1083 CD GLU B 52 -6.857 -5.891 4.892 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -5.827 -5.901 4.176 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -7.722 -6.799 4.825 1.00 0.00 O ATOM 0 H GLU B 52 -8.010 -1.234 4.316 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.349 -2.482 6.831 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.226 -3.557 4.529 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.512 -3.197 4.497 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -6.166 -4.626 6.511 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -7.883 -4.973 6.566 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.340 -1.205 6.288 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.141 -0.658 6.932 1.00 0.00 C ATOM 1094 C GLU B 53 -4.397 0.681 7.664 1.00 0.00 C ATOM 1095 O GLU B 53 -3.505 1.202 8.333 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.050 -0.503 5.866 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.422 -1.850 5.481 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.051 -1.660 4.799 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.998 -1.232 3.623 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -0.012 -1.957 5.442 1.00 0.00 O ATOM 0 H GLU B 53 -5.381 -0.991 5.292 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.823 -1.354 7.708 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.475 -0.035 4.978 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -2.273 0.165 6.238 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.304 -2.466 6.373 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -3.092 -2.387 4.810 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.625 1.206 7.561 1.00 0.00 N ATOM 1108 CA GLU B 54 -6.215 2.373 8.246 1.00 0.00 C ATOM 1109 C GLU B 54 -6.054 3.678 7.429 1.00 0.00 C ATOM 1110 O GLU B 54 -5.841 4.766 7.964 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.776 2.471 9.726 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.854 3.131 10.592 1.00 0.00 C ATOM 1113 CD GLU B 54 -6.376 3.291 12.048 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.567 2.353 12.862 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.814 4.358 12.399 1.00 0.00 O ATOM 0 H GLU B 54 -6.305 0.781 6.930 1.00 0.00 H new ATOM 0 HA GLU B 54 -7.292 2.215 8.294 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.561 1.473 10.109 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.852 3.045 9.795 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -7.108 4.108 10.180 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.762 2.529 10.568 1.00 0.00 H new ATOM 1122 N GLU B 55 -6.185 3.544 6.105 1.00 0.00 N ATOM 1123 CA GLU B 55 -6.100 4.561 5.048 1.00 0.00 C ATOM 1124 C GLU B 55 -4.682 5.136 4.882 1.00 0.00 C ATOM 1125 O GLU B 55 -4.281 6.124 5.504 1.00 0.00 O ATOM 1126 CB GLU B 55 -7.175 5.646 5.170 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.605 5.108 5.327 1.00 0.00 C ATOM 1128 CD GLU B 55 -9.621 6.265 5.385 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -9.879 6.805 6.489 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -10.172 6.649 4.324 1.00 0.00 O ATOM 0 H GLU B 55 -6.373 2.625 5.704 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.318 4.037 4.118 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.941 6.277 6.027 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -7.134 6.282 4.286 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.844 4.449 4.492 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.676 4.510 6.235 1.00 0.00 H new ATOM 1137 N SER B 56 -3.918 4.485 4.006 1.00 0.00 N ATOM 1138 CA SER B 56 -2.497 4.721 3.719 1.00 0.00 C ATOM 1139 C SER B 56 -2.231 4.538 2.220 1.00 0.00 C ATOM 1140 O SER B 56 -1.296 3.847 1.803 1.00 0.00 O ATOM 1141 CB SER B 56 -1.635 3.801 4.600 1.00 0.00 C ATOM 1142 OG SER B 56 -1.963 2.432 4.413 1.00 0.00 O ATOM 0 H SER B 56 -4.297 3.727 3.438 1.00 0.00 H new ATOM 0 HA SER B 56 -2.224 5.747 3.964 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.582 3.957 4.367 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.773 4.068 5.648 1.00 0.00 H new ATOM 0 HG SER B 56 -1.394 1.878 4.987 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.119 5.106 1.388 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.069 4.965 -0.076 1.00 0.00 C ATOM 1150 C VAL B 57 -1.708 5.398 -0.638 1.00 0.00 C ATOM 1151 O VAL B 57 -1.070 6.333 -0.151 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.195 5.712 -0.830 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.406 4.804 -1.032 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.678 6.988 -0.136 1.00 0.00 C ATOM 0 H VAL B 57 -3.897 5.680 1.715 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.224 3.900 -0.251 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.747 5.999 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.185 5.350 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -5.113 3.930 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.786 4.483 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -5.467 7.449 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -5.066 6.740 0.852 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -3.846 7.684 -0.035 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.255 4.671 -1.658 1.00 0.00 N ATOM 1165 CA GLY B 58 0.120 4.666 -2.162 1.00 0.00 C ATOM 1166 C GLY B 58 0.866 3.429 -1.666 1.00 0.00 C ATOM 1167 O GLY B 58 1.373 2.640 -2.459 1.00 0.00 O ATOM 0 H GLY B 58 -1.863 4.040 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY B 58 0.114 4.682 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.638 5.567 -1.833 1.00 0.00 H new ATOM 1171 N SER B 59 0.873 3.200 -0.352 1.00 0.00 N ATOM 1172 CA SER B 59 1.567 2.054 0.250 1.00 0.00 C ATOM 1173 C SER B 59 0.900 0.722 -0.092 1.00 0.00 C ATOM 1174 O SER B 59 1.577 -0.184 -0.580 1.00 0.00 O ATOM 1175 CB SER B 59 1.654 2.235 1.767 1.00 0.00 C ATOM 1176 OG SER B 59 2.578 1.323 2.338 1.00 0.00 O ATOM 0 H SER B 59 0.401 3.799 0.325 1.00 0.00 H new ATOM 0 HA SER B 59 2.572 2.022 -0.172 1.00 0.00 H new ATOM 0 HB2 SER B 59 1.957 3.256 1.998 1.00 0.00 H new ATOM 0 HB3 SER B 59 0.670 2.086 2.211 1.00 0.00 H new ATOM 0 HG SER B 59 2.616 1.460 3.308 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.425 0.611 0.069 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.172 -0.593 -0.320 1.00 0.00 C ATOM 1184 C TYR B 60 -1.019 -0.881 -1.821 1.00 0.00 C ATOM 1185 O TYR B 60 -0.741 -2.006 -2.216 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.657 -0.479 0.077 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.284 -1.811 0.472 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.426 -2.845 -0.476 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.690 -2.036 1.803 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -3.949 -4.094 -0.090 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.239 -3.276 2.186 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.367 -4.315 1.240 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.874 -5.527 1.595 1.00 0.00 O ATOM 0 H TYR B 60 -1.006 1.347 0.470 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.747 -1.437 0.224 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.750 0.218 0.909 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.217 -0.056 -0.757 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.133 -2.678 -1.502 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.579 -1.251 2.536 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.031 -4.889 -0.817 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.562 -3.431 3.205 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.173 -5.496 2.528 1.00 0.00 H new ATOM 1203 N ILE B 61 -1.130 0.157 -2.655 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.971 0.165 -4.113 1.00 0.00 C ATOM 1205 C ILE B 61 0.354 -0.466 -4.506 1.00 0.00 C ATOM 1206 O ILE B 61 0.390 -1.402 -5.309 1.00 0.00 O ATOM 1207 CB ILE B 61 -1.088 1.622 -4.649 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.334 2.340 -4.066 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.993 1.682 -6.185 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.640 3.723 -4.638 1.00 0.00 C ATOM 0 H ILE B 61 -1.351 1.087 -2.300 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.765 -0.429 -4.564 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.226 2.184 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -3.204 1.702 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.202 2.436 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -1.080 2.717 -6.515 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.033 1.278 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.799 1.093 -6.623 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.531 4.127 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.796 4.387 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.813 3.643 -5.711 1.00 0.00 H new ATOM 1222 N LYS B 62 1.438 0.008 -3.887 1.00 0.00 N ATOM 1223 CA LYS B 62 2.760 -0.558 -4.070 1.00 0.00 C ATOM 1224 C LYS B 62 2.804 -2.009 -3.591 1.00 0.00 C ATOM 1225 O LYS B 62 3.064 -2.908 -4.385 1.00 0.00 O ATOM 1226 CB LYS B 62 3.769 0.367 -3.373 1.00 0.00 C ATOM 1227 CG LYS B 62 5.157 0.197 -4.002 1.00 0.00 C ATOM 1228 CD LYS B 62 6.217 1.142 -3.422 1.00 0.00 C ATOM 1229 CE LYS B 62 6.732 0.664 -2.058 1.00 0.00 C ATOM 1230 NZ LYS B 62 7.758 1.592 -1.513 1.00 0.00 N ATOM 0 H LYS B 62 1.414 0.799 -3.244 1.00 0.00 H new ATOM 0 HA LYS B 62 3.027 -0.609 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.445 1.404 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.812 0.136 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.486 -0.833 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.082 0.365 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.053 1.219 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.794 2.141 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS B 62 5.899 0.588 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.158 -0.335 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.387 1.074 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.317 1.990 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.289 2.363 -0.996 1.00 0.00 H new ATOM 1244 N ARG B 63 2.463 -2.267 -2.324 1.00 0.00 N ATOM 1245 CA ARG B 63 2.449 -3.602 -1.702 1.00 0.00 C ATOM 1246 C ARG B 63 1.705 -4.642 -2.541 1.00 0.00 C ATOM 1247 O ARG B 63 2.188 -5.759 -2.652 1.00 0.00 O ATOM 1248 CB ARG B 63 1.885 -3.501 -0.272 1.00 0.00 C ATOM 1249 CG ARG B 63 1.875 -4.858 0.453 1.00 0.00 C ATOM 1250 CD ARG B 63 1.474 -4.708 1.926 1.00 0.00 C ATOM 1251 NE ARG B 63 1.321 -6.024 2.581 1.00 0.00 N ATOM 1252 CZ ARG B 63 2.267 -6.820 3.049 1.00 0.00 C ATOM 1253 NH1 ARG B 63 3.532 -6.510 2.993 1.00 0.00 N ATOM 1254 NH2 ARG B 63 1.957 -7.965 3.584 1.00 0.00 N ATOM 0 H ARG B 63 2.179 -1.530 -1.679 1.00 0.00 H new ATOM 0 HA ARG B 63 3.478 -3.958 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.481 -2.791 0.301 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.870 -3.106 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG B 63 1.180 -5.533 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.864 -5.313 0.389 1.00 0.00 H new ATOM 0 HD2 ARG B 63 2.229 -4.124 2.452 1.00 0.00 H new ATOM 0 HD3 ARG B 63 0.537 -4.155 1.995 1.00 0.00 H new ATOM 0 HE ARG B 63 0.364 -6.361 2.685 1.00 0.00 H new ATOM 0 HH11 ARG B 63 3.822 -5.625 2.577 1.00 0.00 H new ATOM 0 HH12 ARG B 63 4.231 -7.152 3.366 1.00 0.00 H new ATOM 0 HH21 ARG B 63 0.980 -8.252 3.644 1.00 0.00 H new ATOM 0 HH22 ARG B 63 2.691 -8.575 3.944 1.00 0.00 H new ATOM 1268 N TYR B 64 0.587 -4.296 -3.174 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.248 -5.230 -3.936 1.00 0.00 C ATOM 1270 C TYR B 64 0.409 -5.706 -5.236 1.00 0.00 C ATOM 1271 O TYR B 64 0.341 -6.881 -5.601 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.581 -4.541 -4.237 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.767 -5.482 -4.296 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -3.067 -6.317 -3.198 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.594 -5.502 -5.433 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -4.176 -7.185 -3.248 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.711 -6.352 -5.478 1.00 0.00 C ATOM 1278 CZ TYR B 64 -5.001 -7.206 -4.394 1.00 0.00 C ATOM 1279 OH TYR B 64 -6.069 -8.046 -4.462 1.00 0.00 O ATOM 0 H TYR B 64 0.227 -3.342 -3.174 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.395 -6.125 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.768 -3.786 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.499 -4.017 -5.189 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.444 -6.290 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.370 -4.862 -6.274 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.395 -7.833 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.351 -6.352 -6.348 1.00 0.00 H new ATOM 0 HH TYR B 64 -6.525 -7.926 -5.321 1.00 0.00 H new ATOM 1289 N ILE B 65 1.113 -4.788 -5.896 1.00 0.00 N ATOM 1290 CA ILE B 65 2.012 -5.074 -7.018 1.00 0.00 C ATOM 1291 C ILE B 65 3.167 -5.941 -6.537 1.00 0.00 C ATOM 1292 O ILE B 65 3.465 -6.956 -7.158 1.00 0.00 O ATOM 1293 CB ILE B 65 2.541 -3.779 -7.684 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.519 -3.118 -8.616 1.00 0.00 C ATOM 1295 CG2 ILE B 65 3.845 -3.975 -8.473 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.145 -3.947 -9.852 1.00 0.00 C ATOM 0 H ILE B 65 1.074 -3.796 -5.660 1.00 0.00 H new ATOM 0 HA ILE B 65 1.444 -5.612 -7.777 1.00 0.00 H new ATOM 0 HB ILE B 65 2.737 -3.125 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.612 -2.909 -8.048 1.00 0.00 H new ATOM 0 HG13 ILE B 65 1.917 -2.158 -8.946 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.152 -3.025 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.625 -4.335 -7.803 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.684 -4.704 -9.267 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.417 -3.399 -10.451 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.038 -4.135 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE B 65 0.713 -4.897 -9.536 1.00 0.00 H new ATOM 1308 N LEU B 66 3.820 -5.570 -5.432 1.00 0.00 N ATOM 1309 CA LEU B 66 5.027 -6.249 -4.963 1.00 0.00 C ATOM 1310 C LEU B 66 4.717 -7.663 -4.445 1.00 0.00 C ATOM 1311 O LEU B 66 5.509 -8.584 -4.642 1.00 0.00 O ATOM 1312 CB LEU B 66 5.741 -5.354 -3.938 1.00 0.00 C ATOM 1313 CG LEU B 66 6.183 -3.983 -4.499 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.972 -3.212 -3.448 1.00 0.00 C ATOM 1315 CD2 LEU B 66 7.033 -4.061 -5.760 1.00 0.00 C ATOM 0 H LEU B 66 3.526 -4.793 -4.840 1.00 0.00 H new ATOM 0 HA LEU B 66 5.713 -6.404 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.077 -5.191 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.618 -5.880 -3.560 1.00 0.00 H new ATOM 0 HG LEU B 66 5.255 -3.476 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.277 -2.249 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.348 -3.052 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.857 -3.783 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.298 -3.054 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.942 -4.626 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.469 -4.559 -6.549 1.00 0.00 H new ATOM 1327 N LYS B 67 3.510 -7.856 -3.903 1.00 0.00 N ATOM 1328 CA LYS B 67 2.896 -9.141 -3.566 1.00 0.00 C ATOM 1329 C LYS B 67 2.734 -10.028 -4.802 1.00 0.00 C ATOM 1330 O LYS B 67 3.109 -11.199 -4.767 1.00 0.00 O ATOM 1331 CB LYS B 67 1.553 -8.870 -2.866 1.00 0.00 C ATOM 1332 CG LYS B 67 0.908 -10.140 -2.295 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.360 -9.792 -1.498 1.00 0.00 C ATOM 1334 CE LYS B 67 -0.979 -11.013 -0.800 1.00 0.00 C ATOM 1335 NZ LYS B 67 -1.581 -11.980 -1.759 1.00 0.00 N ATOM 0 H LYS B 67 2.900 -7.071 -3.675 1.00 0.00 H new ATOM 0 HA LYS B 67 3.547 -9.693 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.708 -8.154 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.867 -8.408 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.658 -10.824 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.619 -10.657 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.118 -9.036 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -1.096 -9.351 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -0.212 -11.519 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -1.745 -10.677 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -1.983 -12.783 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -2.333 -11.509 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -0.848 -12.324 -2.411 1.00 0.00 H new ATOM 1349 N ALA B 68 2.229 -9.467 -5.902 1.00 0.00 N ATOM 1350 CA ALA B 68 2.137 -10.175 -7.183 1.00 0.00 C ATOM 1351 C ALA B 68 3.518 -10.472 -7.812 1.00 0.00 C ATOM 1352 O ALA B 68 3.726 -11.552 -8.364 1.00 0.00 O ATOM 1353 CB ALA B 68 1.249 -9.368 -8.137 1.00 0.00 C ATOM 0 H ALA B 68 1.873 -8.512 -5.932 1.00 0.00 H new ATOM 0 HA ALA B 68 1.687 -11.150 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.175 -9.888 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.254 -9.260 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.685 -8.381 -8.293 1.00 0.00 H new ATOM 1359 N LEU B 69 4.483 -9.552 -7.690 1.00 0.00 N ATOM 1360 CA LEU B 69 5.822 -9.592 -8.302 1.00 0.00 C ATOM 1361 C LEU B 69 6.717 -10.706 -7.739 1.00 0.00 C ATOM 1362 O LEU B 69 7.676 -11.125 -8.391 1.00 0.00 O ATOM 1363 CB LEU B 69 6.477 -8.198 -8.156 1.00 0.00 C ATOM 1364 CG LEU B 69 6.784 -7.498 -9.491 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.952 -5.992 -9.308 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.094 -7.997 -10.082 1.00 0.00 C ATOM 0 H LEU B 69 4.345 -8.711 -7.130 1.00 0.00 H new ATOM 0 HA LEU B 69 5.705 -9.836 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.817 -7.560 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.404 -8.303 -7.593 1.00 0.00 H new ATOM 0 HG LEU B 69 5.941 -7.720 -10.146 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.168 -5.530 -10.271 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.033 -5.570 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.775 -5.799 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.286 -7.485 -11.025 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.908 -7.793 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU B 69 8.028 -9.071 -10.259 1.00 0.00 H new ATOM 1378 N ARG B 70 6.364 -11.245 -6.567 1.00 0.00 N ATOM 1379 CA ARG B 70 6.907 -12.496 -6.026 1.00 0.00 C ATOM 1380 C ARG B 70 6.640 -13.719 -6.919 1.00 0.00 C ATOM 1381 O ARG B 70 7.454 -14.643 -6.941 1.00 0.00 O ATOM 1382 CB ARG B 70 6.339 -12.774 -4.621 1.00 0.00 C ATOM 1383 CG ARG B 70 6.893 -11.834 -3.541 1.00 0.00 C ATOM 1384 CD ARG B 70 6.334 -12.232 -2.168 1.00 0.00 C ATOM 1385 NE ARG B 70 6.985 -11.482 -1.075 1.00 0.00 N ATOM 1386 CZ ARG B 70 6.972 -11.782 0.212 1.00 0.00 C ATOM 1387 NH1 ARG B 70 6.302 -12.798 0.682 1.00 0.00 N ATOM 1388 NH2 ARG B 70 7.642 -11.063 1.065 1.00 0.00 N ATOM 0 H ARG B 70 5.675 -10.812 -5.952 1.00 0.00 H new ATOM 0 HA ARG B 70 7.986 -12.350 -5.982 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.253 -12.680 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.562 -13.804 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.982 -11.882 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.622 -10.803 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.260 -12.049 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG B 70 6.479 -13.301 -2.012 1.00 0.00 H new ATOM 0 HE ARG B 70 7.500 -10.643 -1.342 1.00 0.00 H new ATOM 0 HH11 ARG B 70 5.765 -13.391 0.050 1.00 0.00 H new ATOM 0 HH12 ARG B 70 6.315 -12.999 1.682 1.00 0.00 H new ATOM 0 HH21 ARG B 70 8.183 -10.261 0.742 1.00 0.00 H new ATOM 0 HH22 ARG B 70 7.626 -11.302 2.057 1.00 0.00 H new ATOM 1402 N LYS B 71 5.491 -13.746 -7.610 1.00 0.00 N ATOM 1403 CA LYS B 71 4.865 -14.959 -8.179 1.00 0.00 C ATOM 1404 C LYS B 71 4.070 -14.734 -9.483 1.00 0.00 C ATOM 1405 O LYS B 71 3.065 -15.410 -9.716 1.00 0.00 O ATOM 1406 CB LYS B 71 4.039 -15.650 -7.072 1.00 0.00 C ATOM 1407 CG LYS B 71 2.860 -14.809 -6.541 1.00 0.00 C ATOM 1408 CD LYS B 71 2.060 -15.539 -5.448 1.00 0.00 C ATOM 1409 CE LYS B 71 1.465 -16.892 -5.873 1.00 0.00 C ATOM 1410 NZ LYS B 71 0.523 -16.772 -7.019 1.00 0.00 N ATOM 0 H LYS B 71 4.951 -12.901 -7.797 1.00 0.00 H new ATOM 0 HA LYS B 71 5.666 -15.622 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.652 -16.593 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS B 71 4.700 -15.894 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.240 -13.869 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.195 -14.559 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS B 71 2.711 -15.699 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS B 71 1.249 -14.890 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS B 71 2.274 -17.571 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS B 71 0.944 -17.337 -5.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 0.152 -17.712 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 -0.265 -16.147 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 1.023 -16.373 -7.839 1.00 0.00 H new ATOM 1424 N ILE B 72 4.524 -13.810 -10.338 1.00 0.00 N ATOM 1425 CA ILE B 72 3.987 -13.526 -11.693 1.00 0.00 C ATOM 1426 C ILE B 72 3.697 -14.811 -12.498 1.00 0.00 C ATOM 1427 O ILE B 72 2.625 -14.943 -13.092 1.00 0.00 O ATOM 1428 CB ILE B 72 4.980 -12.613 -12.448 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.079 -11.228 -11.778 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.643 -12.380 -13.933 1.00 0.00 C ATOM 1431 CD1 ILE B 72 6.505 -10.687 -11.850 1.00 0.00 C ATOM 0 H ILE B 72 5.312 -13.207 -10.102 1.00 0.00 H new ATOM 0 HA ILE B 72 3.029 -13.018 -11.579 1.00 0.00 H new ATOM 0 HB ILE B 72 5.924 -13.156 -12.399 1.00 0.00 H new ATOM 0 HG12 ILE B 72 4.397 -10.533 -12.268 1.00 0.00 H new ATOM 0 HG13 ILE B 72 4.766 -11.300 -10.737 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.394 -11.728 -14.379 1.00 0.00 H new ATOM 0 HG22 ILE B 72 4.634 -13.335 -14.458 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.662 -11.912 -14.014 1.00 0.00 H new ATOM 0 HD11 ILE B 72 6.548 -9.709 -11.370 1.00 0.00 H new ATOM 0 HD12 ILE B 72 7.180 -11.372 -11.338 1.00 0.00 H new ATOM 0 HD13 ILE B 72 6.806 -10.593 -12.893 1.00 0.00 H new ATOM 1443 N GLU B 73 4.634 -15.767 -12.483 1.00 0.00 N ATOM 1444 CA GLU B 73 4.552 -17.124 -13.046 1.00 0.00 C ATOM 1445 C GLU B 73 5.037 -18.189 -12.041 1.00 0.00 C ATOM 1446 O GLU B 73 6.080 -17.971 -11.380 1.00 0.00 O ATOM 1447 CB GLU B 73 5.379 -17.184 -14.341 1.00 0.00 C ATOM 1448 CG GLU B 73 4.610 -16.744 -15.598 1.00 0.00 C ATOM 1449 CD GLU B 73 3.539 -17.775 -16.030 1.00 0.00 C ATOM 1450 OE1 GLU B 73 3.904 -18.846 -16.578 1.00 0.00 O ATOM 1451 OE2 GLU B 73 2.321 -17.522 -15.857 1.00 0.00 O ATOM 0 H GLU B 73 5.539 -15.601 -12.044 1.00 0.00 H new ATOM 0 HA GLU B 73 3.508 -17.346 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU B 73 6.259 -16.552 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU B 73 5.736 -18.204 -14.485 1.00 0.00 H new ATOM 0 HG2 GLU B 73 4.130 -15.784 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU B 73 5.314 -16.592 -16.416 1.00 0.00 H new TER 1458 GLU B 73