USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 795 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 113 SER OG : rot 24:sc= 0.0692 USER MOD Set 1.2: A 115 SER OG : rot -53:sc= 1.4 USER MOD Set 2.1: A 58 MET CE :methyl 164:sc= -0.134 (180deg=-0.572) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0.29 USER MOD Set 2.3: A 100 THR OG1 : rot -101:sc= 0.276 USER MOD Set 2.4: A 127 SER OG : rot 96:sc= 0.203 USER MOD Set 3.1: A 62 GLN : amide:sc= -1.04 X(o=1.3,f=0.94) USER MOD Set 3.2: A 68 SER OG : rot 146:sc= 1.35 USER MOD Set 3.3: A 126 HIS : no HD1:sc= 0.994 K(o=1.3,f=-7.3!) USER MOD Set 4.1: A 57 HIS : no HE2:sc= 0.661 K(o=0.66,f=-4.6!) USER MOD Set 4.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 38 THR OG1 : rot 177:sc= 1.98 USER MOD Set 5.2: A 47 GLN : amide:sc= -0.33 K(o=1.6,f=-1.2) USER MOD Set 6.1: A 29 TYR OH : rot 44:sc= 0.583 USER MOD Set 6.2: A 76 GLN : amide:sc= -0.168 X(o=0.42,f=-0.068) USER MOD Single : A 27 SER OG : rot 22:sc= 1.23 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.254 F(o=-1.2,f=-0.25) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0868 X(o=-0.087,f=-0.54) USER MOD Single : A 42 SER OG : rot -97:sc= 0.328 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0356 K(o=-0.036,f=-0.6) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= -1.71! (180deg=-3.84!) USER MOD Single : A 61 SER OG : rot -15:sc= 0.201 USER MOD Single : A 63 SER OG : rot -93:sc= 1.03 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00905 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 75 SER OG : rot 113:sc= 1.2 USER MOD Single : A 78 SER OG : rot -94:sc= 1.2 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0936 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 104 SER OG : rot 31:sc= 0.0214 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.0027 F(o=-1.1,f=-0.0027) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0026 USER MOD Single : A 119 HIS : no HE2:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 120 SER OG : rot -164:sc= 0.266 USER MOD Single : A 122 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 124 MET CE :methyl 158:sc= -0.138 (180deg=-0.691) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.768 -1.537 11.558 1.00 0.00 N ATOM 24 CA LEU A 26 -6.466 -1.115 11.070 1.00 0.00 C ATOM 25 C LEU A 26 -6.681 -0.213 9.867 1.00 0.00 C ATOM 26 O LEU A 26 -7.294 -0.625 8.887 1.00 0.00 O ATOM 27 CB LEU A 26 -5.602 -2.320 10.671 1.00 0.00 C ATOM 28 CG LEU A 26 -5.163 -3.235 11.818 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.413 -4.438 11.270 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.291 -2.478 12.810 1.00 0.00 C ATOM 0 HA LEU A 26 -5.940 -0.582 11.862 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.157 -2.917 9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.710 -1.952 10.164 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.054 -3.582 12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.106 -5.082 12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.063 -4.996 10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.531 -4.100 10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.991 -3.148 13.616 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.403 -2.102 12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.853 -1.641 13.224 1.00 0.00 H new ATOM 42 N SER A 27 -6.221 1.021 9.945 1.00 0.00 N ATOM 43 CA SER A 27 -6.435 1.964 8.862 1.00 0.00 C ATOM 44 C SER A 27 -5.292 2.963 8.792 1.00 0.00 C ATOM 45 O SER A 27 -4.617 3.212 9.789 1.00 0.00 O ATOM 46 CB SER A 27 -7.765 2.689 9.081 1.00 0.00 C ATOM 47 OG SER A 27 -7.867 3.197 10.403 1.00 0.00 O ATOM 0 H SER A 27 -5.701 1.393 10.740 1.00 0.00 H new ATOM 0 HA SER A 27 -6.469 1.424 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.857 3.508 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.591 2.004 8.888 1.00 0.00 H new ATOM 0 HG SER A 27 -6.970 3.296 10.785 1.00 0.00 H new ATOM 53 N TRP A 28 -5.074 3.544 7.618 1.00 0.00 N ATOM 54 CA TRP A 28 -4.043 4.563 7.474 1.00 0.00 C ATOM 55 C TRP A 28 -4.515 5.891 8.065 1.00 0.00 C ATOM 56 O TRP A 28 -3.861 6.918 7.922 1.00 0.00 O ATOM 57 CB TRP A 28 -3.604 4.729 6.008 1.00 0.00 C ATOM 58 CG TRP A 28 -4.679 5.142 5.032 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.700 6.031 5.234 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.796 4.709 3.669 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.451 6.160 4.091 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.915 5.361 3.116 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.065 3.826 2.864 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.317 5.159 1.796 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.465 3.630 1.554 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.581 4.294 1.032 1.00 0.00 C ATOM 0 H TRP A 28 -5.589 3.331 6.764 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.168 4.231 8.033 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.805 5.470 5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.178 3.785 5.669 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.888 6.556 6.159 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.274 6.754 3.986 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.204 3.307 3.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.179 5.667 1.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.907 2.953 0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.867 4.120 0.005 1.00 0.00 H new ATOM 77 N TYR A 29 -5.666 5.848 8.726 1.00 0.00 N ATOM 78 CA TYR A 29 -6.199 7.000 9.430 1.00 0.00 C ATOM 79 C TYR A 29 -5.630 7.046 10.844 1.00 0.00 C ATOM 80 O TYR A 29 -5.725 8.063 11.533 1.00 0.00 O ATOM 81 CB TYR A 29 -7.727 6.935 9.487 1.00 0.00 C ATOM 82 CG TYR A 29 -8.399 6.946 8.131 1.00 0.00 C ATOM 83 CD1 TYR A 29 -8.652 8.140 7.468 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.787 5.761 7.514 1.00 0.00 C ATOM 85 CE1 TYR A 29 -9.269 8.155 6.233 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.407 5.769 6.280 1.00 0.00 C ATOM 87 CZ TYR A 29 -9.645 6.967 5.644 1.00 0.00 C ATOM 88 OH TYR A 29 -10.267 6.977 4.415 1.00 0.00 O ATOM 0 H TYR A 29 -6.252 5.015 8.787 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.910 7.903 8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.021 6.030 10.019 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.094 7.780 10.069 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.361 9.073 7.927 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.600 4.819 8.008 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.456 9.093 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.704 4.840 5.816 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.808 7.607 3.821 1.00 0.00 H new ATOM 98 N ASP A 30 -5.053 5.925 11.270 1.00 0.00 N ATOM 99 CA ASP A 30 -4.416 5.838 12.574 1.00 0.00 C ATOM 100 C ASP A 30 -3.038 6.480 12.504 1.00 0.00 C ATOM 101 O ASP A 30 -2.207 6.093 11.682 1.00 0.00 O ATOM 102 CB ASP A 30 -4.291 4.381 13.033 1.00 0.00 C ATOM 103 CG ASP A 30 -5.628 3.671 13.129 1.00 0.00 C ATOM 104 OD1 ASP A 30 -6.343 3.877 14.131 1.00 0.00 O ATOM 105 OD2 ASP A 30 -5.977 2.906 12.206 1.00 0.00 O ATOM 0 H ASP A 30 -5.016 5.063 10.726 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.035 6.367 13.299 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.649 3.841 12.337 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.801 4.354 14.006 1.00 0.00 H new ATOM 110 N PRO A 31 -2.779 7.462 13.377 1.00 0.00 N ATOM 111 CA PRO A 31 -1.560 8.279 13.323 1.00 0.00 C ATOM 112 C PRO A 31 -0.286 7.468 13.526 1.00 0.00 C ATOM 113 O PRO A 31 0.793 7.874 13.094 1.00 0.00 O ATOM 114 CB PRO A 31 -1.743 9.280 14.468 1.00 0.00 C ATOM 115 CG PRO A 31 -2.750 8.661 15.373 1.00 0.00 C ATOM 116 CD PRO A 31 -3.653 7.849 14.493 1.00 0.00 C ATOM 0 HA PRO A 31 -1.439 8.743 12.344 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.802 9.458 14.989 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.089 10.244 14.096 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.268 8.033 16.122 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.312 9.424 15.911 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.047 6.978 15.016 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.509 8.430 14.150 1.00 0.00 H new ATOM 124 N ASP A 32 -0.411 6.323 14.181 1.00 0.00 N ATOM 125 CA ASP A 32 0.746 5.489 14.469 1.00 0.00 C ATOM 126 C ASP A 32 0.696 4.185 13.681 1.00 0.00 C ATOM 127 O ASP A 32 1.432 3.244 13.987 1.00 0.00 O ATOM 128 CB ASP A 32 0.836 5.195 15.969 1.00 0.00 C ATOM 129 CG ASP A 32 -0.295 4.318 16.473 1.00 0.00 C ATOM 130 OD1 ASP A 32 -1.456 4.783 16.494 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.029 3.161 16.866 1.00 0.00 O ATOM 0 H ASP A 32 -1.298 5.952 14.522 1.00 0.00 H new ATOM 0 HA ASP A 32 1.636 6.038 14.162 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.788 4.708 16.181 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.830 6.136 16.519 1.00 0.00 H new ATOM 136 N PHE A 33 -0.153 4.135 12.654 1.00 0.00 N ATOM 137 CA PHE A 33 -0.274 2.939 11.824 1.00 0.00 C ATOM 138 C PHE A 33 1.084 2.576 11.234 1.00 0.00 C ATOM 139 O PHE A 33 1.767 3.423 10.656 1.00 0.00 O ATOM 140 CB PHE A 33 -1.298 3.153 10.701 1.00 0.00 C ATOM 141 CG PHE A 33 -1.553 1.924 9.871 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.194 0.823 10.421 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.159 1.869 8.542 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.435 -0.307 9.662 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.398 0.741 7.780 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.036 -0.348 8.342 1.00 0.00 C ATOM 0 H PHE A 33 -0.763 4.905 12.379 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.623 2.119 12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.239 3.487 11.138 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.948 3.954 10.050 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.508 0.849 11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.660 2.717 8.098 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.935 -1.157 10.102 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.086 0.711 6.746 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.222 -1.231 7.748 1.00 0.00 H new ATOM 156 N GLN A 34 1.477 1.325 11.397 1.00 0.00 N ATOM 157 CA GLN A 34 2.802 0.881 10.986 1.00 0.00 C ATOM 158 C GLN A 34 2.832 0.538 9.503 1.00 0.00 C ATOM 159 O GLN A 34 2.410 -0.544 9.093 1.00 0.00 O ATOM 160 CB GLN A 34 3.239 -0.324 11.819 1.00 0.00 C ATOM 161 CG GLN A 34 3.434 -0.006 13.292 1.00 0.00 C ATOM 162 CD GLN A 34 4.608 0.922 13.547 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.649 0.805 12.740 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.585 1.726 14.479 1.00 0.00 N flip ATOM 0 H GLN A 34 0.898 0.595 11.812 1.00 0.00 H new ATOM 0 HA GLN A 34 3.500 1.700 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.493 -1.112 11.722 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.172 -0.716 11.414 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.525 0.451 13.683 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.586 -0.935 13.842 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.763 1.787 15.080 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.388 2.331 14.650 1.00 0.00 H new ATOM 173 N ALA A 35 3.332 1.470 8.705 1.00 0.00 N ATOM 174 CA ALA A 35 3.473 1.261 7.275 1.00 0.00 C ATOM 175 C ALA A 35 4.797 1.832 6.792 1.00 0.00 C ATOM 176 O ALA A 35 5.313 2.789 7.368 1.00 0.00 O ATOM 177 CB ALA A 35 2.315 1.899 6.520 1.00 0.00 C ATOM 0 H ALA A 35 3.648 2.384 9.029 1.00 0.00 H new ATOM 0 HA ALA A 35 3.458 0.189 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.441 1.730 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.376 1.454 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.298 2.971 6.719 1.00 0.00 H new ATOM 183 N ARG A 36 5.342 1.234 5.746 1.00 0.00 N ATOM 184 CA ARG A 36 6.614 1.664 5.196 1.00 0.00 C ATOM 185 C ARG A 36 6.627 1.484 3.682 1.00 0.00 C ATOM 186 O ARG A 36 6.010 0.559 3.151 1.00 0.00 O ATOM 187 CB ARG A 36 7.761 0.868 5.839 1.00 0.00 C ATOM 188 CG ARG A 36 7.733 -0.624 5.528 1.00 0.00 C ATOM 189 CD ARG A 36 8.734 -0.990 4.443 1.00 0.00 C ATOM 190 NE ARG A 36 10.113 -0.913 4.922 1.00 0.00 N ATOM 191 CZ ARG A 36 11.156 -1.409 4.264 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.986 -1.986 3.086 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.372 -1.329 4.780 1.00 0.00 N ATOM 0 H ARG A 36 4.919 0.444 5.259 1.00 0.00 H new ATOM 0 HA ARG A 36 6.752 2.722 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.711 1.281 5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.722 1.004 6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.955 -1.189 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.731 -0.911 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.530 -2.000 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.608 -0.320 3.592 1.00 0.00 H new ATOM 0 HE ARG A 36 10.285 -0.451 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.053 -2.051 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.788 -2.366 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.513 -0.885 5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.168 -1.711 4.270 1.00 0.00 H new ATOM 206 N LEU A 37 7.305 2.384 2.996 1.00 0.00 N ATOM 207 CA LEU A 37 7.516 2.257 1.564 1.00 0.00 C ATOM 208 C LEU A 37 8.909 1.709 1.312 1.00 0.00 C ATOM 209 O LEU A 37 9.879 2.180 1.907 1.00 0.00 O ATOM 210 CB LEU A 37 7.349 3.611 0.868 1.00 0.00 C ATOM 211 CG LEU A 37 5.940 4.203 0.926 1.00 0.00 C ATOM 212 CD1 LEU A 37 5.955 5.652 0.473 1.00 0.00 C ATOM 213 CD2 LEU A 37 4.989 3.390 0.060 1.00 0.00 C ATOM 0 H LEU A 37 7.723 3.218 3.410 1.00 0.00 H new ATOM 0 HA LEU A 37 6.773 1.573 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.043 4.321 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.637 3.502 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 37 5.591 4.165 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.945 6.058 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.610 6.230 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.321 5.709 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.990 3.823 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.337 3.402 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.958 2.362 0.420 1.00 0.00 H new ATOM 225 N THR A 38 9.002 0.694 0.468 1.00 0.00 N ATOM 226 CA THR A 38 10.291 0.114 0.136 1.00 0.00 C ATOM 227 C THR A 38 11.175 1.152 -0.546 1.00 0.00 C ATOM 228 O THR A 38 10.713 1.904 -1.408 1.00 0.00 O ATOM 229 CB THR A 38 10.148 -1.117 -0.782 1.00 0.00 C ATOM 230 OG1 THR A 38 9.457 -0.757 -1.985 1.00 0.00 O ATOM 231 CG2 THR A 38 9.396 -2.236 -0.079 1.00 0.00 C ATOM 0 H THR A 38 8.205 0.258 0.004 1.00 0.00 H new ATOM 0 HA THR A 38 10.751 -0.210 1.070 1.00 0.00 H new ATOM 0 HB THR A 38 11.149 -1.472 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.418 -1.531 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.309 -3.092 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.939 -2.531 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.400 -1.888 0.197 1.00 0.00 H new ATOM 239 N ARG A 39 12.444 1.194 -0.157 1.00 0.00 N ATOM 240 CA ARG A 39 13.397 2.137 -0.737 1.00 0.00 C ATOM 241 C ARG A 39 13.823 1.693 -2.133 1.00 0.00 C ATOM 242 O ARG A 39 15.011 1.519 -2.417 1.00 0.00 O ATOM 243 CB ARG A 39 14.628 2.343 0.170 1.00 0.00 C ATOM 244 CG ARG A 39 14.935 1.204 1.140 1.00 0.00 C ATOM 245 CD ARG A 39 15.203 -0.118 0.434 1.00 0.00 C ATOM 246 NE ARG A 39 15.411 -1.204 1.389 1.00 0.00 N ATOM 247 CZ ARG A 39 14.919 -2.427 1.233 1.00 0.00 C ATOM 248 NH1 ARG A 39 14.238 -2.730 0.137 1.00 0.00 N ATOM 249 NH2 ARG A 39 15.111 -3.350 2.161 1.00 0.00 N ATOM 0 H ARG A 39 12.839 0.585 0.559 1.00 0.00 H new ATOM 0 HA ARG A 39 12.889 3.098 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.501 2.501 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.483 3.257 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.803 1.471 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.096 1.081 1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.363 -0.361 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.082 -0.019 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 39 15.966 -1.011 2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.093 -2.024 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.859 -3.669 0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.640 -3.124 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.730 -4.288 2.034 1.00 0.00 H new ATOM 262 N SER A 40 12.834 1.515 -2.996 1.00 0.00 N ATOM 263 CA SER A 40 13.070 1.112 -4.368 1.00 0.00 C ATOM 264 C SER A 40 13.674 2.277 -5.145 1.00 0.00 C ATOM 265 O SER A 40 14.766 2.168 -5.705 1.00 0.00 O ATOM 266 CB SER A 40 11.759 0.650 -5.018 1.00 0.00 C ATOM 267 OG SER A 40 12.002 -0.030 -6.235 1.00 0.00 O ATOM 0 H SER A 40 11.850 1.646 -2.763 1.00 0.00 H new ATOM 0 HA SER A 40 13.770 0.277 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.222 -0.006 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.118 1.512 -5.202 1.00 0.00 H new ATOM 0 HG SER A 40 11.150 -0.315 -6.627 1.00 0.00 H new ATOM 273 N ASN A 41 12.967 3.399 -5.156 1.00 0.00 N ATOM 274 CA ASN A 41 13.458 4.603 -5.809 1.00 0.00 C ATOM 275 C ASN A 41 13.856 5.645 -4.776 1.00 0.00 C ATOM 276 O ASN A 41 14.823 6.380 -4.963 1.00 0.00 O ATOM 277 CB ASN A 41 12.406 5.182 -6.754 1.00 0.00 C ATOM 278 CG ASN A 41 12.300 4.416 -8.057 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.558 3.442 -8.160 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.029 4.865 -9.069 1.00 0.00 N ATOM 0 H ASN A 41 12.051 3.500 -4.719 1.00 0.00 H new ATOM 0 HA ASN A 41 14.336 4.331 -6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.436 5.179 -6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.651 6.222 -6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.986 4.398 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.633 5.677 -8.942 1.00 0.00 H new ATOM 287 N SER A 42 13.113 5.702 -3.680 1.00 0.00 N ATOM 288 CA SER A 42 13.403 6.647 -2.619 1.00 0.00 C ATOM 289 C SER A 42 12.686 6.229 -1.341 1.00 0.00 C ATOM 290 O SER A 42 11.993 5.210 -1.332 1.00 0.00 O ATOM 291 CB SER A 42 12.985 8.059 -3.044 1.00 0.00 C ATOM 292 OG SER A 42 13.572 9.043 -2.213 1.00 0.00 O ATOM 0 H SER A 42 12.306 5.104 -3.505 1.00 0.00 H new ATOM 0 HA SER A 42 14.476 6.652 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.280 8.231 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.899 8.147 -3.003 1.00 0.00 H new ATOM 0 HG SER A 42 12.936 9.303 -1.515 1.00 0.00 H new ATOM 298 N LYS A 43 12.845 6.994 -0.270 1.00 0.00 N ATOM 299 CA LYS A 43 12.226 6.641 1.001 1.00 0.00 C ATOM 300 C LYS A 43 10.709 6.811 0.931 1.00 0.00 C ATOM 301 O LYS A 43 9.962 6.031 1.518 1.00 0.00 O ATOM 302 CB LYS A 43 12.809 7.459 2.171 1.00 0.00 C ATOM 303 CG LYS A 43 12.579 8.965 2.086 1.00 0.00 C ATOM 304 CD LYS A 43 13.590 9.656 1.182 1.00 0.00 C ATOM 305 CE LYS A 43 14.985 9.656 1.784 1.00 0.00 C ATOM 306 NZ LYS A 43 15.970 10.316 0.886 1.00 0.00 N ATOM 0 H LYS A 43 13.392 7.855 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 43 12.451 5.591 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.375 7.093 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.882 7.273 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.573 9.156 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.636 9.396 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.613 9.155 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.273 10.683 1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.967 10.170 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.298 8.630 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.911 10.297 1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.005 9.810 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.684 11.302 0.722 1.00 0.00 H new ATOM 319 N CYS A 44 10.254 7.812 0.190 1.00 0.00 N ATOM 320 CA CYS A 44 8.825 8.053 0.054 1.00 0.00 C ATOM 321 C CYS A 44 8.316 7.598 -1.316 1.00 0.00 C ATOM 322 O CYS A 44 7.349 8.152 -1.842 1.00 0.00 O ATOM 323 CB CYS A 44 8.506 9.538 0.258 1.00 0.00 C ATOM 324 SG CYS A 44 9.102 10.235 1.838 1.00 0.00 S ATOM 0 H CYS A 44 10.848 8.465 -0.322 1.00 0.00 H new ATOM 0 HA CYS A 44 8.318 7.471 0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.944 10.106 -0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.426 9.675 0.200 1.00 0.00 H new ATOM 329 N GLN A 45 8.961 6.586 -1.894 1.00 0.00 N ATOM 330 CA GLN A 45 8.542 6.066 -3.192 1.00 0.00 C ATOM 331 C GLN A 45 8.938 4.604 -3.354 1.00 0.00 C ATOM 332 O GLN A 45 10.118 4.278 -3.532 1.00 0.00 O ATOM 333 CB GLN A 45 9.142 6.892 -4.333 1.00 0.00 C ATOM 334 CG GLN A 45 8.751 6.392 -5.719 1.00 0.00 C ATOM 335 CD GLN A 45 9.380 7.202 -6.835 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.659 8.388 -6.679 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.602 6.563 -7.972 1.00 0.00 N ATOM 0 H GLN A 45 9.769 6.114 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 45 7.455 6.140 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.823 7.929 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.228 6.882 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.049 5.349 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.666 6.425 -5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.355 5.577 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.020 7.056 -8.761 1.00 0.00 H new ATOM 346 N GLY A 46 7.944 3.733 -3.298 1.00 0.00 N ATOM 347 CA GLY A 46 8.185 2.316 -3.462 1.00 0.00 C ATOM 348 C GLY A 46 6.928 1.505 -3.227 1.00 0.00 C ATOM 349 O GLY A 46 5.818 2.034 -3.328 1.00 0.00 O ATOM 0 H GLY A 46 6.968 3.984 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.560 2.124 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.961 1.996 -2.766 1.00 0.00 H new ATOM 353 N GLN A 47 7.097 0.229 -2.913 1.00 0.00 N ATOM 354 CA GLN A 47 5.966 -0.639 -2.622 1.00 0.00 C ATOM 355 C GLN A 47 5.515 -0.438 -1.182 1.00 0.00 C ATOM 356 O GLN A 47 6.333 -0.196 -0.295 1.00 0.00 O ATOM 357 CB GLN A 47 6.316 -2.116 -2.851 1.00 0.00 C ATOM 358 CG GLN A 47 6.456 -2.517 -4.316 1.00 0.00 C ATOM 359 CD GLN A 47 7.767 -2.080 -4.942 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.790 -1.977 -4.266 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.745 -1.827 -6.239 1.00 0.00 N ATOM 0 H GLN A 47 8.007 -0.228 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 47 5.157 -0.373 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.251 -2.338 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.545 -2.734 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.367 -3.600 -4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.631 -2.086 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.875 -1.925 -6.763 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.598 -1.534 -6.716 1.00 0.00 H new ATOM 370 N LEU A 48 4.217 -0.538 -0.958 1.00 0.00 N ATOM 371 CA LEU A 48 3.656 -0.327 0.365 1.00 0.00 C ATOM 372 C LEU A 48 3.704 -1.606 1.194 1.00 0.00 C ATOM 373 O LEU A 48 3.019 -2.583 0.888 1.00 0.00 O ATOM 374 CB LEU A 48 2.210 0.172 0.250 1.00 0.00 C ATOM 375 CG LEU A 48 1.518 0.506 1.574 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.194 1.687 2.256 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.045 0.800 1.339 1.00 0.00 C ATOM 0 H LEU A 48 3.530 -0.765 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 48 4.257 0.428 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.201 1.062 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.622 -0.588 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 48 1.602 -0.359 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.685 1.905 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.237 1.443 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.145 2.560 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.435 1.036 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.053 1.649 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.434 -0.074 0.897 1.00 0.00 H new ATOM 389 N GLU A 49 4.532 -1.598 2.224 1.00 0.00 N ATOM 390 CA GLU A 49 4.570 -2.685 3.191 1.00 0.00 C ATOM 391 C GLU A 49 3.935 -2.224 4.489 1.00 0.00 C ATOM 392 O GLU A 49 4.308 -1.189 5.037 1.00 0.00 O ATOM 393 CB GLU A 49 6.005 -3.157 3.451 1.00 0.00 C ATOM 394 CG GLU A 49 6.597 -3.983 2.324 1.00 0.00 C ATOM 395 CD GLU A 49 7.995 -4.485 2.633 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.896 -3.655 2.863 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.202 -5.718 2.658 1.00 0.00 O ATOM 0 H GLU A 49 5.193 -0.845 2.414 1.00 0.00 H new ATOM 0 HA GLU A 49 4.013 -3.528 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.638 -2.286 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.022 -3.747 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.947 -4.834 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.625 -3.382 1.415 1.00 0.00 H new ATOM 404 N VAL A 50 2.964 -2.976 4.969 1.00 0.00 N ATOM 405 CA VAL A 50 2.279 -2.623 6.198 1.00 0.00 C ATOM 406 C VAL A 50 2.469 -3.714 7.236 1.00 0.00 C ATOM 407 O VAL A 50 2.679 -4.881 6.893 1.00 0.00 O ATOM 408 CB VAL A 50 0.765 -2.381 5.981 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.532 -1.259 4.983 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.063 -3.657 5.530 1.00 0.00 C ATOM 0 H VAL A 50 2.632 -3.834 4.528 1.00 0.00 H new ATOM 0 HA VAL A 50 2.719 -1.690 6.549 1.00 0.00 H new ATOM 0 HB VAL A 50 0.337 -2.081 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.539 -1.109 4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.983 -0.340 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.985 -1.522 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.999 -3.457 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.499 -4.000 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.187 -4.428 6.290 1.00 0.00 H new ATOM 420 N TYR A 51 2.426 -3.330 8.498 1.00 0.00 N ATOM 421 CA TYR A 51 2.509 -4.294 9.576 1.00 0.00 C ATOM 422 C TYR A 51 1.112 -4.768 9.930 1.00 0.00 C ATOM 423 O TYR A 51 0.375 -4.091 10.649 1.00 0.00 O ATOM 424 CB TYR A 51 3.198 -3.694 10.807 1.00 0.00 C ATOM 425 CG TYR A 51 3.384 -4.685 11.941 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.390 -5.642 11.894 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.548 -4.669 13.053 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.559 -6.551 12.918 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.714 -5.576 14.082 1.00 0.00 C ATOM 430 CZ TYR A 51 3.718 -6.517 14.007 1.00 0.00 C ATOM 431 OH TYR A 51 3.887 -7.425 15.028 1.00 0.00 O ATOM 0 H TYR A 51 2.334 -2.360 8.800 1.00 0.00 H new ATOM 0 HA TYR A 51 3.110 -5.140 9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.172 -3.303 10.514 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.611 -2.849 11.166 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.051 -5.675 11.041 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.757 -3.936 13.113 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.348 -7.286 12.865 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.060 -5.548 14.941 1.00 0.00 H new ATOM 0 HH TYR A 51 3.213 -7.266 15.722 1.00 0.00 H new ATOM 441 N LEU A 52 0.743 -5.916 9.396 1.00 0.00 N ATOM 442 CA LEU A 52 -0.557 -6.484 9.670 1.00 0.00 C ATOM 443 C LEU A 52 -0.461 -7.354 10.919 1.00 0.00 C ATOM 444 O LEU A 52 0.602 -7.422 11.539 1.00 0.00 O ATOM 445 CB LEU A 52 -1.054 -7.298 8.469 1.00 0.00 C ATOM 446 CG LEU A 52 -2.573 -7.465 8.370 1.00 0.00 C ATOM 447 CD1 LEU A 52 -3.247 -6.128 8.092 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.928 -8.473 7.290 1.00 0.00 C ATOM 0 H LEU A 52 1.327 -6.471 8.771 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.278 -5.685 9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.698 -6.820 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.599 -8.288 8.509 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.938 -7.839 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.326 -6.271 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.022 -5.432 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.876 -5.722 7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.011 -8.579 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.547 -8.127 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.481 -9.437 7.531 1.00 0.00 H new ATOM 460 N LYS A 53 -1.534 -8.032 11.284 1.00 0.00 N ATOM 461 CA LYS A 53 -1.527 -8.847 12.494 1.00 0.00 C ATOM 462 C LYS A 53 -0.611 -10.061 12.336 1.00 0.00 C ATOM 463 O LYS A 53 -0.175 -10.656 13.323 1.00 0.00 O ATOM 464 CB LYS A 53 -2.947 -9.280 12.858 1.00 0.00 C ATOM 465 CG LYS A 53 -3.832 -8.119 13.293 1.00 0.00 C ATOM 466 CD LYS A 53 -5.237 -8.571 13.676 1.00 0.00 C ATOM 467 CE LYS A 53 -6.106 -8.854 12.457 1.00 0.00 C ATOM 468 NZ LYS A 53 -5.652 -10.044 11.688 1.00 0.00 N ATOM 0 H LYS A 53 -2.414 -8.038 10.769 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.134 -8.239 13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.401 -9.774 11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.902 -10.015 13.661 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.372 -7.613 14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.895 -7.391 12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.172 -9.469 14.290 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.710 -7.801 14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.136 -9.007 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.102 -7.982 11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.477 -10.532 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.020 -9.741 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.141 -10.692 12.321 1.00 0.00 H new ATOM 481 N ASP A 54 -0.313 -10.416 11.091 1.00 0.00 N ATOM 482 CA ASP A 54 0.604 -11.516 10.803 1.00 0.00 C ATOM 483 C ASP A 54 2.033 -11.012 10.608 1.00 0.00 C ATOM 484 O ASP A 54 2.970 -11.808 10.509 1.00 0.00 O ATOM 485 CB ASP A 54 0.154 -12.288 9.558 1.00 0.00 C ATOM 486 CG ASP A 54 0.087 -11.415 8.323 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.961 -10.782 8.104 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.074 -11.368 7.560 1.00 0.00 O ATOM 0 H ASP A 54 -0.693 -9.958 10.263 1.00 0.00 H new ATOM 0 HA ASP A 54 0.588 -12.186 11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.843 -13.113 9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.827 -12.726 9.742 1.00 0.00 H new ATOM 493 N GLY A 55 2.208 -9.698 10.564 1.00 0.00 N ATOM 494 CA GLY A 55 3.537 -9.139 10.411 1.00 0.00 C ATOM 495 C GLY A 55 3.655 -8.229 9.202 1.00 0.00 C ATOM 496 O GLY A 55 2.650 -7.874 8.585 1.00 0.00 O ATOM 0 H GLY A 55 1.457 -9.011 10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.796 -8.578 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.260 -9.950 10.322 1.00 0.00 H new ATOM 500 N TRP A 56 4.885 -7.850 8.868 1.00 0.00 N ATOM 501 CA TRP A 56 5.138 -6.986 7.719 1.00 0.00 C ATOM 502 C TRP A 56 4.880 -7.726 6.413 1.00 0.00 C ATOM 503 O TRP A 56 5.453 -8.791 6.164 1.00 0.00 O ATOM 504 CB TRP A 56 6.579 -6.460 7.739 1.00 0.00 C ATOM 505 CG TRP A 56 6.840 -5.459 8.825 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.447 -5.688 10.027 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.502 -4.066 8.806 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.506 -4.524 10.755 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.932 -3.514 10.028 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.878 -3.231 7.873 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.755 -2.165 10.338 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.703 -1.897 8.186 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.139 -1.375 9.406 1.00 0.00 C ATOM 0 H TRP A 56 5.724 -8.128 9.378 1.00 0.00 H new ATOM 0 HA TRP A 56 4.452 -6.141 7.785 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.262 -7.301 7.860 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.803 -6.004 6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.825 -6.644 10.357 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.911 -4.427 11.686 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.539 -3.622 6.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.092 -1.759 11.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.220 -1.245 7.474 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.987 -0.327 9.618 1.00 0.00 H new ATOM 524 N HIS A 57 4.009 -7.166 5.587 1.00 0.00 N ATOM 525 CA HIS A 57 3.715 -7.736 4.281 1.00 0.00 C ATOM 526 C HIS A 57 3.374 -6.647 3.277 1.00 0.00 C ATOM 527 O HIS A 57 2.976 -5.541 3.652 1.00 0.00 O ATOM 528 CB HIS A 57 2.576 -8.759 4.367 1.00 0.00 C ATOM 529 CG HIS A 57 3.067 -10.162 4.543 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.732 -10.964 5.614 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.881 -10.909 3.761 1.00 0.00 C ATOM 532 CE1 HIS A 57 3.321 -12.136 5.485 1.00 0.00 C ATOM 533 NE2 HIS A 57 4.024 -12.131 4.369 1.00 0.00 N ATOM 0 H HIS A 57 3.491 -6.313 5.800 1.00 0.00 H new ATOM 0 HA HIS A 57 4.611 -8.253 3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.924 -8.500 5.201 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.973 -8.701 3.461 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.123 -10.692 6.386 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.334 -10.600 2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.241 -12.962 6.177 1.00 0.00 H new ATOM 541 N MET A 58 3.543 -6.974 2.003 1.00 0.00 N ATOM 542 CA MET A 58 3.339 -6.024 0.919 1.00 0.00 C ATOM 543 C MET A 58 1.869 -5.937 0.538 1.00 0.00 C ATOM 544 O MET A 58 1.186 -6.953 0.453 1.00 0.00 O ATOM 545 CB MET A 58 4.154 -6.449 -0.302 1.00 0.00 C ATOM 546 CG MET A 58 5.650 -6.519 -0.048 1.00 0.00 C ATOM 547 SD MET A 58 6.549 -7.284 -1.409 1.00 0.00 S ATOM 548 CE MET A 58 5.983 -6.294 -2.790 1.00 0.00 C ATOM 0 H MET A 58 3.825 -7.904 1.693 1.00 0.00 H new ATOM 0 HA MET A 58 3.668 -5.043 1.261 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.806 -7.426 -0.637 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.966 -5.748 -1.115 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.034 -5.512 0.116 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.834 -7.083 0.866 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.645 -6.446 -3.642 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.970 -6.592 -3.060 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.989 -5.241 -2.509 1.00 0.00 H new ATOM 558 N VAL A 59 1.388 -4.728 0.302 1.00 0.00 N ATOM 559 CA VAL A 59 0.013 -4.532 -0.132 1.00 0.00 C ATOM 560 C VAL A 59 -0.066 -4.602 -1.652 1.00 0.00 C ATOM 561 O VAL A 59 0.748 -4.000 -2.356 1.00 0.00 O ATOM 562 CB VAL A 59 -0.557 -3.177 0.355 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.005 -3.006 -0.087 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.455 -3.068 1.867 1.00 0.00 C ATOM 0 H VAL A 59 1.927 -3.868 0.403 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.588 -5.327 0.309 1.00 0.00 H new ATOM 0 HB VAL A 59 0.036 -2.381 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.383 -2.047 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.059 -3.038 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.610 -3.811 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.860 -2.109 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.022 -3.876 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.590 -3.140 2.167 1.00 0.00 H new ATOM 574 N CYS A 60 -1.030 -5.354 -2.156 1.00 0.00 N ATOM 575 CA CYS A 60 -1.217 -5.484 -3.591 1.00 0.00 C ATOM 576 C CYS A 60 -2.225 -4.446 -4.074 1.00 0.00 C ATOM 577 O CYS A 60 -3.186 -4.129 -3.375 1.00 0.00 O ATOM 578 CB CYS A 60 -1.700 -6.898 -3.927 1.00 0.00 C ATOM 579 SG CYS A 60 -1.760 -7.267 -5.709 1.00 0.00 S ATOM 0 H CYS A 60 -1.695 -5.884 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.267 -5.312 -4.097 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.043 -7.619 -3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.695 -7.039 -3.505 1.00 0.00 H new ATOM 584 N SER A 61 -1.993 -3.919 -5.272 1.00 0.00 N ATOM 585 CA SER A 61 -2.833 -2.863 -5.834 1.00 0.00 C ATOM 586 C SER A 61 -4.246 -3.365 -6.122 1.00 0.00 C ATOM 587 O SER A 61 -5.158 -2.567 -6.323 1.00 0.00 O ATOM 588 CB SER A 61 -2.196 -2.307 -7.115 1.00 0.00 C ATOM 589 OG SER A 61 -2.985 -1.272 -7.681 1.00 0.00 O ATOM 0 H SER A 61 -1.225 -4.208 -5.878 1.00 0.00 H new ATOM 0 HA SER A 61 -2.907 -2.066 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.200 -1.926 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.074 -3.111 -7.841 1.00 0.00 H new ATOM 0 HG SER A 61 -3.882 -1.291 -7.286 1.00 0.00 H new ATOM 595 N GLN A 62 -4.421 -4.686 -6.131 1.00 0.00 N ATOM 596 CA GLN A 62 -5.734 -5.287 -6.356 1.00 0.00 C ATOM 597 C GLN A 62 -6.606 -5.174 -5.099 1.00 0.00 C ATOM 598 O GLN A 62 -7.785 -5.537 -5.114 1.00 0.00 O ATOM 599 CB GLN A 62 -5.586 -6.766 -6.731 1.00 0.00 C ATOM 600 CG GLN A 62 -4.561 -7.043 -7.820 1.00 0.00 C ATOM 601 CD GLN A 62 -4.911 -6.414 -9.156 1.00 0.00 C ATOM 602 OE1 GLN A 62 -4.023 -6.070 -9.938 1.00 0.00 O ATOM 603 NE2 GLN A 62 -6.199 -6.264 -9.427 1.00 0.00 N ATOM 0 H GLN A 62 -3.670 -5.360 -5.985 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.213 -4.748 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.310 -7.328 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.555 -7.143 -7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.589 -6.671 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.463 -8.121 -7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.901 -6.563 -8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.489 -5.849 -10.313 1.00 0.00 H new ATOM 612 N SER A 63 -6.013 -4.670 -4.017 1.00 0.00 N ATOM 613 CA SER A 63 -6.685 -4.595 -2.725 1.00 0.00 C ATOM 614 C SER A 63 -7.940 -3.726 -2.799 1.00 0.00 C ATOM 615 O SER A 63 -8.015 -2.790 -3.602 1.00 0.00 O ATOM 616 CB SER A 63 -5.729 -4.039 -1.661 1.00 0.00 C ATOM 617 OG SER A 63 -6.257 -4.209 -0.358 1.00 0.00 O ATOM 0 H SER A 63 -5.060 -4.305 -4.013 1.00 0.00 H new ATOM 0 HA SER A 63 -6.987 -5.605 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.766 -4.544 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.549 -2.980 -1.848 1.00 0.00 H new ATOM 0 HG SER A 63 -6.747 -3.402 -0.096 1.00 0.00 H new ATOM 623 N TRP A 64 -8.911 -4.054 -1.945 1.00 0.00 N ATOM 624 CA TRP A 64 -10.182 -3.337 -1.852 1.00 0.00 C ATOM 625 C TRP A 64 -11.001 -3.464 -3.137 1.00 0.00 C ATOM 626 O TRP A 64 -11.920 -2.680 -3.381 1.00 0.00 O ATOM 627 CB TRP A 64 -9.949 -1.863 -1.485 1.00 0.00 C ATOM 628 CG TRP A 64 -9.201 -1.697 -0.194 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.615 -2.077 1.050 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.906 -1.108 -0.021 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.656 -1.767 1.982 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.600 -1.169 1.351 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.976 -0.536 -0.891 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.406 -0.682 1.869 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.789 -0.052 -0.375 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.513 -0.127 0.994 1.00 0.00 C ATOM 0 H TRP A 64 -8.835 -4.834 -1.292 1.00 0.00 H new ATOM 0 HA TRP A 64 -10.764 -3.799 -1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.393 -1.377 -2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.911 -1.355 -1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.560 -2.552 1.269 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.720 -1.953 2.983 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.181 -0.473 -1.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.191 -0.740 2.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.063 0.391 -1.040 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.577 0.261 1.368 1.00 0.00 H new ATOM 647 N GLY A 65 -10.668 -4.473 -3.942 1.00 0.00 N ATOM 648 CA GLY A 65 -11.418 -4.750 -5.154 1.00 0.00 C ATOM 649 C GLY A 65 -11.256 -3.662 -6.193 1.00 0.00 C ATOM 650 O GLY A 65 -12.243 -3.098 -6.669 1.00 0.00 O ATOM 0 H GLY A 65 -9.886 -5.106 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.088 -5.701 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.474 -4.859 -4.908 1.00 0.00 H new ATOM 654 N ARG A 66 -10.012 -3.363 -6.544 1.00 0.00 N ATOM 655 CA ARG A 66 -9.719 -2.285 -7.473 1.00 0.00 C ATOM 656 C ARG A 66 -8.803 -2.764 -8.590 1.00 0.00 C ATOM 657 O ARG A 66 -8.035 -3.713 -8.413 1.00 0.00 O ATOM 658 CB ARG A 66 -9.049 -1.131 -6.737 1.00 0.00 C ATOM 659 CG ARG A 66 -9.878 -0.559 -5.599 1.00 0.00 C ATOM 660 CD ARG A 66 -9.092 0.489 -4.831 1.00 0.00 C ATOM 661 NE ARG A 66 -7.812 -0.043 -4.367 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.699 0.676 -4.267 1.00 0.00 C ATOM 663 NH1 ARG A 66 -6.714 1.971 -4.535 1.00 0.00 N ATOM 664 NH2 ARG A 66 -5.565 0.108 -3.889 1.00 0.00 N ATOM 0 H ARG A 66 -9.189 -3.855 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.660 -1.949 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.093 -1.473 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.832 -0.336 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.791 -0.116 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.179 -1.360 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.919 1.356 -5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.677 0.832 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.771 -1.028 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.583 2.423 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.857 2.518 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.541 -0.888 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.715 0.667 -3.815 1.00 0.00 H new ATOM 677 N SER A 67 -8.894 -2.104 -9.732 1.00 0.00 N ATOM 678 CA SER A 67 -8.013 -2.379 -10.850 1.00 0.00 C ATOM 679 C SER A 67 -6.754 -1.526 -10.737 1.00 0.00 C ATOM 680 O SER A 67 -6.763 -0.474 -10.096 1.00 0.00 O ATOM 681 CB SER A 67 -8.742 -2.111 -12.170 1.00 0.00 C ATOM 682 OG SER A 67 -9.348 -0.828 -12.176 1.00 0.00 O ATOM 0 H SER A 67 -9.577 -1.367 -9.908 1.00 0.00 H new ATOM 0 HA SER A 67 -7.720 -3.429 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.037 -2.186 -12.998 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.503 -2.875 -12.329 1.00 0.00 H new ATOM 0 HG SER A 67 -9.804 -0.686 -13.032 1.00 0.00 H new ATOM 688 N SER A 68 -5.673 -1.986 -11.349 1.00 0.00 N ATOM 689 CA SER A 68 -4.390 -1.306 -11.252 1.00 0.00 C ATOM 690 C SER A 68 -4.333 -0.090 -12.178 1.00 0.00 C ATOM 691 O SER A 68 -3.706 -0.128 -13.240 1.00 0.00 O ATOM 692 CB SER A 68 -3.274 -2.286 -11.594 1.00 0.00 C ATOM 693 OG SER A 68 -3.376 -3.456 -10.801 1.00 0.00 O ATOM 0 H SER A 68 -5.659 -2.831 -11.920 1.00 0.00 H new ATOM 0 HA SER A 68 -4.262 -0.947 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.326 -2.551 -12.650 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.305 -1.813 -11.431 1.00 0.00 H new ATOM 0 HG SER A 68 -3.083 -4.232 -11.323 1.00 0.00 H new ATOM 699 N LYS A 69 -4.991 0.981 -11.767 1.00 0.00 N ATOM 700 CA LYS A 69 -5.038 2.211 -12.540 1.00 0.00 C ATOM 701 C LYS A 69 -4.688 3.389 -11.634 1.00 0.00 C ATOM 702 O LYS A 69 -5.032 3.382 -10.453 1.00 0.00 O ATOM 703 CB LYS A 69 -6.445 2.398 -13.123 1.00 0.00 C ATOM 704 CG LYS A 69 -6.470 2.792 -14.593 1.00 0.00 C ATOM 705 CD LYS A 69 -5.822 4.147 -14.831 1.00 0.00 C ATOM 706 CE LYS A 69 -5.785 4.495 -16.309 1.00 0.00 C ATOM 707 NZ LYS A 69 -5.083 5.783 -16.558 1.00 0.00 N ATOM 0 H LYS A 69 -5.508 1.022 -10.888 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.319 2.159 -13.358 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.003 1.470 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.965 3.162 -12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.952 2.034 -15.180 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.502 2.817 -14.944 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.373 4.915 -14.289 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.808 4.141 -14.432 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.285 3.697 -16.858 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.803 4.556 -16.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.079 5.985 -17.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.575 6.549 -16.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.104 5.717 -16.215 1.00 0.00 H new ATOM 720 N GLN A 70 -3.982 4.378 -12.172 1.00 0.00 N ATOM 721 CA GLN A 70 -3.670 5.578 -11.409 1.00 0.00 C ATOM 722 C GLN A 70 -4.948 6.381 -11.200 1.00 0.00 C ATOM 723 O GLN A 70 -5.615 6.762 -12.164 1.00 0.00 O ATOM 724 CB GLN A 70 -2.621 6.435 -12.125 1.00 0.00 C ATOM 725 CG GLN A 70 -2.179 7.650 -11.318 1.00 0.00 C ATOM 726 CD GLN A 70 -1.203 8.548 -12.058 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.391 7.968 -12.931 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -1.174 9.759 -11.840 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.618 4.372 -13.125 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.255 5.282 -10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.750 5.819 -12.347 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.026 6.770 -13.080 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.058 8.232 -11.042 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.717 7.312 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.814 10.170 -11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.510 10.351 -12.338 1.00 0.00 H new ATOM 737 N TRP A 71 -5.293 6.627 -9.947 1.00 0.00 N ATOM 738 CA TRP A 71 -6.554 7.274 -9.617 1.00 0.00 C ATOM 739 C TRP A 71 -6.484 8.779 -9.847 1.00 0.00 C ATOM 740 O TRP A 71 -5.399 9.334 -10.036 1.00 0.00 O ATOM 741 CB TRP A 71 -6.943 6.971 -8.169 1.00 0.00 C ATOM 742 CG TRP A 71 -6.912 5.508 -7.852 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.027 4.864 -7.037 1.00 0.00 C ATOM 744 CD2 TRP A 71 -7.790 4.500 -8.365 1.00 0.00 C ATOM 745 NE1 TRP A 71 -6.303 3.521 -7.007 1.00 0.00 N ATOM 746 CE2 TRP A 71 -7.382 3.272 -7.813 1.00 0.00 C ATOM 747 CE3 TRP A 71 -8.884 4.516 -9.235 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -8.029 2.074 -8.102 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -9.524 3.325 -9.520 1.00 0.00 C ATOM 750 CH2 TRP A 71 -9.094 2.120 -8.954 1.00 0.00 C ATOM 0 H TRP A 71 -4.717 6.388 -9.140 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.321 6.872 -10.280 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.264 7.498 -7.498 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.944 7.358 -7.978 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.225 5.343 -6.494 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.789 2.822 -6.472 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.223 5.442 -9.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -7.700 1.142 -7.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.370 3.324 -10.191 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.616 1.206 -9.197 1.00 0.00 H new ATOM 761 N GLU A 72 -7.639 9.434 -9.827 1.00 0.00 N ATOM 762 CA GLU A 72 -7.712 10.870 -10.077 1.00 0.00 C ATOM 763 C GLU A 72 -7.030 11.653 -8.956 1.00 0.00 C ATOM 764 O GLU A 72 -6.228 12.554 -9.207 1.00 0.00 O ATOM 765 CB GLU A 72 -9.174 11.317 -10.214 1.00 0.00 C ATOM 766 CG GLU A 72 -9.934 10.618 -11.329 1.00 0.00 C ATOM 767 CD GLU A 72 -11.376 11.070 -11.410 1.00 0.00 C ATOM 768 OE1 GLU A 72 -12.073 11.039 -10.375 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.816 11.480 -12.504 1.00 0.00 O ATOM 0 H GLU A 72 -8.540 8.993 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.190 11.076 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.688 11.137 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.199 12.392 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.440 10.813 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.901 9.540 -11.168 1.00 0.00 H new ATOM 776 N ASP A 73 -7.340 11.287 -7.720 1.00 0.00 N ATOM 777 CA ASP A 73 -6.809 11.990 -6.563 1.00 0.00 C ATOM 778 C ASP A 73 -6.223 11.000 -5.562 1.00 0.00 C ATOM 779 O ASP A 73 -6.956 10.321 -4.845 1.00 0.00 O ATOM 780 CB ASP A 73 -7.907 12.820 -5.894 1.00 0.00 C ATOM 781 CG ASP A 73 -7.393 13.587 -4.694 1.00 0.00 C ATOM 782 OD1 ASP A 73 -6.693 14.604 -4.884 1.00 0.00 O ATOM 783 OD2 ASP A 73 -7.684 13.175 -3.553 1.00 0.00 O ATOM 0 H ASP A 73 -7.957 10.507 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.017 12.659 -6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.324 13.519 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.718 12.162 -5.582 1.00 0.00 H new ATOM 788 N PRO A 74 -4.886 10.887 -5.518 1.00 0.00 N ATOM 789 CA PRO A 74 -4.186 10.006 -4.582 1.00 0.00 C ATOM 790 C PRO A 74 -4.059 10.620 -3.189 1.00 0.00 C ATOM 791 O PRO A 74 -3.466 10.022 -2.290 1.00 0.00 O ATOM 792 CB PRO A 74 -2.792 9.836 -5.213 1.00 0.00 C ATOM 793 CG PRO A 74 -2.847 10.551 -6.523 1.00 0.00 C ATOM 794 CD PRO A 74 -3.936 11.574 -6.396 1.00 0.00 C ATOM 0 HA PRO A 74 -4.722 9.068 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.018 10.256 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.552 8.782 -5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.892 11.025 -6.748 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.058 9.857 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.574 12.505 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.377 11.824 -7.361 1.00 0.00 H new ATOM 802 N SER A 75 -4.638 11.805 -3.010 1.00 0.00 N ATOM 803 CA SER A 75 -4.521 12.548 -1.759 1.00 0.00 C ATOM 804 C SER A 75 -5.179 11.811 -0.589 1.00 0.00 C ATOM 805 O SER A 75 -4.949 12.148 0.571 1.00 0.00 O ATOM 806 CB SER A 75 -5.133 13.939 -1.915 1.00 0.00 C ATOM 807 OG SER A 75 -4.617 14.598 -3.063 1.00 0.00 O ATOM 0 H SER A 75 -5.197 12.274 -3.723 1.00 0.00 H new ATOM 0 HA SER A 75 -3.459 12.641 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.217 13.856 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.924 14.534 -1.026 1.00 0.00 H new ATOM 0 HG SER A 75 -5.330 14.706 -3.727 1.00 0.00 H new ATOM 813 N GLN A 76 -5.976 10.793 -0.893 1.00 0.00 N ATOM 814 CA GLN A 76 -6.607 9.976 0.143 1.00 0.00 C ATOM 815 C GLN A 76 -5.540 9.201 0.924 1.00 0.00 C ATOM 816 O GLN A 76 -5.788 8.702 2.018 1.00 0.00 O ATOM 817 CB GLN A 76 -7.617 9.009 -0.494 1.00 0.00 C ATOM 818 CG GLN A 76 -8.946 8.894 0.253 1.00 0.00 C ATOM 819 CD GLN A 76 -8.878 8.034 1.505 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.600 8.521 2.603 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.153 6.748 1.353 1.00 0.00 N ATOM 0 H GLN A 76 -6.202 10.512 -1.847 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.139 10.628 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.816 9.333 -1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.163 8.020 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.284 9.893 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.695 8.478 -0.421 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.379 6.381 0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.139 6.125 2.160 1.00 0.00 H new ATOM 830 N ALA A 77 -4.338 9.130 0.362 1.00 0.00 N ATOM 831 CA ALA A 77 -3.239 8.414 0.994 1.00 0.00 C ATOM 832 C ALA A 77 -2.219 9.381 1.589 1.00 0.00 C ATOM 833 O ALA A 77 -1.100 8.989 1.928 1.00 0.00 O ATOM 834 CB ALA A 77 -2.561 7.500 -0.010 1.00 0.00 C ATOM 0 H ALA A 77 -4.101 9.561 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.653 7.814 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.741 6.971 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.284 6.778 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.171 8.094 -0.837 1.00 0.00 H new ATOM 840 N SER A 78 -2.614 10.644 1.716 1.00 0.00 N ATOM 841 CA SER A 78 -1.737 11.672 2.273 1.00 0.00 C ATOM 842 C SER A 78 -1.273 11.304 3.680 1.00 0.00 C ATOM 843 O SER A 78 -0.164 11.654 4.087 1.00 0.00 O ATOM 844 CB SER A 78 -2.454 13.024 2.291 1.00 0.00 C ATOM 845 OG SER A 78 -3.752 12.904 2.853 1.00 0.00 O ATOM 0 H SER A 78 -3.536 10.982 1.441 1.00 0.00 H new ATOM 0 HA SER A 78 -0.855 11.742 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.870 13.742 2.866 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.528 13.414 1.276 1.00 0.00 H new ATOM 0 HG SER A 78 -4.407 12.765 2.137 1.00 0.00 H new ATOM 851 N LYS A 79 -2.119 10.585 4.411 1.00 0.00 N ATOM 852 CA LYS A 79 -1.795 10.157 5.766 1.00 0.00 C ATOM 853 C LYS A 79 -0.597 9.210 5.778 1.00 0.00 C ATOM 854 O LYS A 79 0.201 9.228 6.713 1.00 0.00 O ATOM 855 CB LYS A 79 -3.004 9.492 6.420 1.00 0.00 C ATOM 856 CG LYS A 79 -4.196 10.421 6.597 1.00 0.00 C ATOM 857 CD LYS A 79 -3.845 11.640 7.442 1.00 0.00 C ATOM 858 CE LYS A 79 -5.058 12.530 7.675 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.712 13.747 8.456 1.00 0.00 N ATOM 0 H LYS A 79 -3.038 10.286 4.085 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.528 11.044 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.308 8.638 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.710 9.104 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.551 10.747 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.014 9.876 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.442 11.315 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.062 12.214 6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.482 12.823 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.826 11.966 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.565 14.326 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.331 13.468 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.998 14.299 7.940 1.00 0.00 H new ATOM 872 N VAL A 80 -0.459 8.396 4.736 1.00 0.00 N ATOM 873 CA VAL A 80 0.680 7.491 4.632 1.00 0.00 C ATOM 874 C VAL A 80 1.962 8.292 4.443 1.00 0.00 C ATOM 875 O VAL A 80 2.962 8.060 5.122 1.00 0.00 O ATOM 876 CB VAL A 80 0.532 6.484 3.468 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.782 5.618 3.339 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.697 5.608 3.665 1.00 0.00 C ATOM 0 H VAL A 80 -1.116 8.344 3.958 1.00 0.00 H new ATOM 0 HA VAL A 80 0.720 6.921 5.560 1.00 0.00 H new ATOM 0 HB VAL A 80 0.408 7.052 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.655 4.917 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.646 6.253 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.938 5.064 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.781 4.907 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.603 5.054 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.588 6.235 3.703 1.00 0.00 H new ATOM 888 N CYS A 81 1.917 9.251 3.529 1.00 0.00 N ATOM 889 CA CYS A 81 3.055 10.123 3.291 1.00 0.00 C ATOM 890 C CYS A 81 3.375 10.922 4.552 1.00 0.00 C ATOM 891 O CYS A 81 4.536 11.076 4.916 1.00 0.00 O ATOM 892 CB CYS A 81 2.773 11.064 2.116 1.00 0.00 C ATOM 893 SG CYS A 81 2.211 10.217 0.604 1.00 0.00 S ATOM 0 H CYS A 81 1.106 9.444 2.942 1.00 0.00 H new ATOM 0 HA CYS A 81 3.919 9.509 3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.015 11.787 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.679 11.627 1.889 1.00 0.00 H new ATOM 898 N GLN A 82 2.338 11.402 5.233 1.00 0.00 N ATOM 899 CA GLN A 82 2.512 12.154 6.474 1.00 0.00 C ATOM 900 C GLN A 82 3.127 11.273 7.561 1.00 0.00 C ATOM 901 O GLN A 82 3.924 11.739 8.377 1.00 0.00 O ATOM 902 CB GLN A 82 1.167 12.717 6.944 1.00 0.00 C ATOM 903 CG GLN A 82 1.243 13.489 8.252 1.00 0.00 C ATOM 904 CD GLN A 82 -0.099 14.036 8.689 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.853 13.374 9.399 1.00 0.00 O ATOM 906 NE2 GLN A 82 -0.403 15.255 8.278 1.00 0.00 N ATOM 0 H GLN A 82 1.366 11.284 4.946 1.00 0.00 H new ATOM 0 HA GLN A 82 3.193 12.983 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.769 13.373 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.461 11.895 7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.635 12.836 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.948 14.313 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.250 15.772 7.689 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.290 15.678 8.549 1.00 0.00 H new ATOM 915 N ARG A 83 2.761 9.997 7.553 1.00 0.00 N ATOM 916 CA ARG A 83 3.284 9.027 8.510 1.00 0.00 C ATOM 917 C ARG A 83 4.794 8.879 8.329 1.00 0.00 C ATOM 918 O ARG A 83 5.537 8.738 9.297 1.00 0.00 O ATOM 919 CB ARG A 83 2.583 7.675 8.307 1.00 0.00 C ATOM 920 CG ARG A 83 2.432 6.834 9.571 1.00 0.00 C ATOM 921 CD ARG A 83 3.761 6.313 10.094 1.00 0.00 C ATOM 922 NE ARG A 83 3.575 5.415 11.231 1.00 0.00 N ATOM 923 CZ ARG A 83 4.497 5.187 12.159 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.686 5.765 12.066 1.00 0.00 N ATOM 925 NH2 ARG A 83 4.241 4.376 13.175 1.00 0.00 N ATOM 0 H ARG A 83 2.096 9.606 6.886 1.00 0.00 H new ATOM 0 HA ARG A 83 3.090 9.376 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.593 7.855 7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.142 7.099 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.952 7.433 10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.772 5.991 9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.286 5.788 9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.390 7.152 10.391 1.00 0.00 H new ATOM 0 HE ARG A 83 2.680 4.933 11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.892 6.384 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.395 5.591 12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.331 3.922 13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.954 4.206 13.884 1.00 0.00 H new ATOM 938 N LEU A 84 5.239 8.928 7.080 1.00 0.00 N ATOM 939 CA LEU A 84 6.661 8.834 6.771 1.00 0.00 C ATOM 940 C LEU A 84 7.300 10.219 6.713 1.00 0.00 C ATOM 941 O LEU A 84 8.473 10.362 6.361 1.00 0.00 O ATOM 942 CB LEU A 84 6.889 8.092 5.448 1.00 0.00 C ATOM 943 CG LEU A 84 6.833 6.562 5.523 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.419 6.068 5.778 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.394 5.954 4.249 1.00 0.00 C ATOM 0 H LEU A 84 4.636 9.032 6.264 1.00 0.00 H new ATOM 0 HA LEU A 84 7.135 8.266 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.141 8.429 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.863 8.382 5.054 1.00 0.00 H new ATOM 0 HG LEU A 84 7.447 6.243 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.417 4.979 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.057 6.473 6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.767 6.397 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.349 4.867 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.806 6.291 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.430 6.267 4.122 1.00 0.00 H new ATOM 957 N ASN A 85 6.512 11.230 7.078 1.00 0.00 N ATOM 958 CA ASN A 85 6.959 12.623 7.090 1.00 0.00 C ATOM 959 C ASN A 85 7.396 13.082 5.700 1.00 0.00 C ATOM 960 O ASN A 85 8.435 13.716 5.530 1.00 0.00 O ATOM 961 CB ASN A 85 8.084 12.831 8.113 1.00 0.00 C ATOM 962 CG ASN A 85 7.604 12.664 9.544 1.00 0.00 C ATOM 963 OD1 ASN A 85 7.659 11.571 10.112 1.00 0.00 O ATOM 964 ND2 ASN A 85 7.121 13.747 10.138 1.00 0.00 N ATOM 0 H ASN A 85 5.544 11.106 7.374 1.00 0.00 H new ATOM 0 HA ASN A 85 6.110 13.237 7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.886 12.120 7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 85 8.505 13.829 7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.779 13.693 11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.092 14.634 9.635 1.00 0.00 H new ATOM 971 N CYS A 86 6.584 12.758 4.707 1.00 0.00 N ATOM 972 CA CYS A 86 6.824 13.190 3.341 1.00 0.00 C ATOM 973 C CYS A 86 5.838 14.302 2.986 1.00 0.00 C ATOM 974 O CYS A 86 5.106 14.789 3.854 1.00 0.00 O ATOM 975 CB CYS A 86 6.665 12.004 2.376 1.00 0.00 C ATOM 976 SG CYS A 86 7.423 10.450 2.960 1.00 0.00 S ATOM 0 H CYS A 86 5.744 12.191 4.825 1.00 0.00 H new ATOM 0 HA CYS A 86 7.842 13.570 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.603 11.833 2.202 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.106 12.271 1.416 1.00 0.00 H new ATOM 981 N GLY A 87 5.813 14.702 1.727 1.00 0.00 N ATOM 982 CA GLY A 87 4.889 15.730 1.290 1.00 0.00 C ATOM 983 C GLY A 87 3.577 15.156 0.785 1.00 0.00 C ATOM 984 O GLY A 87 2.986 14.277 1.420 1.00 0.00 O ATOM 0 H GLY A 87 6.419 14.332 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.689 16.410 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.353 16.318 0.498 1.00 0.00 H new ATOM 988 N ASP A 88 3.119 15.656 -0.354 1.00 0.00 N ATOM 989 CA ASP A 88 1.864 15.199 -0.949 1.00 0.00 C ATOM 990 C ASP A 88 2.061 13.898 -1.715 1.00 0.00 C ATOM 991 O ASP A 88 3.147 13.629 -2.234 1.00 0.00 O ATOM 992 CB ASP A 88 1.290 16.255 -1.898 1.00 0.00 C ATOM 993 CG ASP A 88 0.039 16.918 -1.361 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.070 16.391 -1.596 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.154 17.976 -0.708 1.00 0.00 O ATOM 0 H ASP A 88 3.597 16.381 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 88 1.164 15.030 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.047 17.017 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.064 15.789 -2.857 1.00 0.00 H new ATOM 1000 N PRO A 89 1.009 13.070 -1.782 1.00 0.00 N ATOM 1001 CA PRO A 89 1.022 11.838 -2.557 1.00 0.00 C ATOM 1002 C PRO A 89 0.820 12.111 -4.043 1.00 0.00 C ATOM 1003 O PRO A 89 -0.299 12.340 -4.502 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.144 11.039 -1.978 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.086 12.052 -1.425 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.278 13.283 -1.100 1.00 0.00 C ATOM 0 HA PRO A 89 1.973 11.310 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.625 10.434 -2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.197 10.355 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.868 12.285 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.581 11.670 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.771 14.187 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.143 13.397 -0.024 1.00 0.00 H new ATOM 1014 N LEU A 90 1.916 12.075 -4.785 1.00 0.00 N ATOM 1015 CA LEU A 90 1.917 12.426 -6.199 1.00 0.00 C ATOM 1016 C LEU A 90 1.099 11.417 -6.997 1.00 0.00 C ATOM 1017 O LEU A 90 0.274 11.786 -7.831 1.00 0.00 O ATOM 1018 CB LEU A 90 3.361 12.464 -6.725 1.00 0.00 C ATOM 1019 CG LEU A 90 3.639 13.447 -7.874 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.120 13.442 -8.222 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.818 13.112 -9.110 1.00 0.00 C ATOM 0 H LEU A 90 2.830 11.802 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 90 1.466 13.411 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.022 12.712 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.631 11.462 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 90 3.348 14.441 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.305 14.142 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.700 13.741 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.418 12.440 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.042 13.828 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.067 12.107 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.757 13.160 -8.866 1.00 0.00 H new ATOM 1033 N SER A 91 1.336 10.140 -6.743 1.00 0.00 N ATOM 1034 CA SER A 91 0.673 9.087 -7.490 1.00 0.00 C ATOM 1035 C SER A 91 0.524 7.830 -6.645 1.00 0.00 C ATOM 1036 O SER A 91 1.407 7.493 -5.852 1.00 0.00 O ATOM 1037 CB SER A 91 1.459 8.772 -8.765 1.00 0.00 C ATOM 1038 OG SER A 91 1.633 9.937 -9.556 1.00 0.00 O ATOM 0 H SER A 91 1.982 9.809 -6.026 1.00 0.00 H new ATOM 0 HA SER A 91 -0.323 9.437 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.432 8.357 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.933 8.011 -9.342 1.00 0.00 H new ATOM 0 HG SER A 91 2.139 9.711 -10.364 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.602 7.156 -6.817 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.875 5.903 -6.128 1.00 0.00 C ATOM 1046 C LEU A 92 -1.437 4.902 -7.123 1.00 0.00 C ATOM 1047 O LEU A 92 -2.203 5.271 -8.016 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.863 6.126 -4.969 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.113 4.910 -4.057 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.483 5.370 -2.662 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.228 4.025 -4.606 1.00 0.00 C ATOM 0 H LEU A 92 -1.352 7.461 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 92 0.051 5.513 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.494 6.947 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.818 6.445 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.192 4.328 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.657 4.502 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.670 5.965 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.389 5.975 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.380 3.176 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.150 4.602 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.952 3.664 -5.597 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.040 3.649 -6.980 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.546 2.611 -7.854 1.00 0.00 C ATOM 1065 C GLY A 93 -0.573 1.460 -7.986 1.00 0.00 C ATOM 1066 O GLY A 93 0.046 1.059 -7.002 1.00 0.00 O ATOM 0 H GLY A 93 -0.376 3.330 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.495 2.241 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.746 3.032 -8.839 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.413 0.907 -9.194 1.00 0.00 N ATOM 1071 CA PRO A 94 0.509 -0.193 -9.434 1.00 0.00 C ATOM 1072 C PRO A 94 1.941 0.294 -9.652 1.00 0.00 C ATOM 1073 O PRO A 94 2.210 1.067 -10.573 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.043 -0.825 -10.712 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.671 0.305 -11.456 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.126 1.310 -10.423 1.00 0.00 C ATOM 0 HA PRO A 94 0.569 -0.879 -8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.750 -1.291 -11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.772 -1.603 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.041 0.756 -12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.514 -0.046 -12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.871 2.328 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.207 1.280 -10.286 1.00 0.00 H new ATOM 1084 N PHE A 95 2.854 -0.150 -8.805 1.00 0.00 N ATOM 1085 CA PHE A 95 4.252 0.216 -8.943 1.00 0.00 C ATOM 1086 C PHE A 95 5.033 -0.979 -9.465 1.00 0.00 C ATOM 1087 O PHE A 95 5.624 -1.734 -8.684 1.00 0.00 O ATOM 1088 CB PHE A 95 4.823 0.688 -7.604 1.00 0.00 C ATOM 1089 CG PHE A 95 6.073 1.515 -7.733 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.992 2.890 -7.880 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.327 0.922 -7.708 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.135 3.656 -7.999 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.472 1.683 -7.828 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.376 3.053 -7.973 1.00 0.00 C ATOM 0 H PHE A 95 2.652 -0.764 -8.016 1.00 0.00 H new ATOM 0 HA PHE A 95 4.338 1.040 -9.651 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.065 1.272 -7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.037 -0.183 -6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.024 3.368 -7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.408 -0.149 -7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.058 4.727 -8.112 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.442 1.208 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.270 3.651 -8.066 1.00 0.00 H new ATOM 1104 N LEU A 96 4.994 -1.158 -10.786 1.00 0.00 N ATOM 1105 CA LEU A 96 5.678 -2.264 -11.457 1.00 0.00 C ATOM 1106 C LEU A 96 5.065 -3.607 -11.058 1.00 0.00 C ATOM 1107 O LEU A 96 4.113 -3.671 -10.273 1.00 0.00 O ATOM 1108 CB LEU A 96 7.181 -2.244 -11.131 1.00 0.00 C ATOM 1109 CG LEU A 96 7.919 -0.940 -11.473 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.383 -1.034 -11.069 1.00 0.00 C ATOM 1111 CD2 LEU A 96 7.802 -0.618 -12.957 1.00 0.00 C ATOM 0 H LEU A 96 4.488 -0.541 -11.421 1.00 0.00 H new ATOM 0 HA LEU A 96 5.552 -2.138 -12.532 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.306 -2.442 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.661 -3.063 -11.666 1.00 0.00 H new ATOM 0 HG LEU A 96 7.451 -0.132 -10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.890 -0.102 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.454 -1.209 -9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.856 -1.858 -11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.333 0.309 -13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.238 -1.429 -13.541 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.751 -0.504 -13.223 1.00 0.00 H new ATOM 1123 N LYS A 97 5.595 -4.679 -11.624 1.00 0.00 N ATOM 1124 CA LYS A 97 5.166 -6.022 -11.266 1.00 0.00 C ATOM 1125 C LYS A 97 6.377 -6.840 -10.850 1.00 0.00 C ATOM 1126 O LYS A 97 7.055 -7.439 -11.684 1.00 0.00 O ATOM 1127 CB LYS A 97 4.415 -6.729 -12.413 1.00 0.00 C ATOM 1128 CG LYS A 97 4.177 -5.885 -13.663 1.00 0.00 C ATOM 1129 CD LYS A 97 5.431 -5.765 -14.516 1.00 0.00 C ATOM 1130 CE LYS A 97 5.153 -5.024 -15.813 1.00 0.00 C ATOM 1131 NZ LYS A 97 6.371 -4.911 -16.661 1.00 0.00 N ATOM 0 H LYS A 97 6.325 -4.645 -12.335 1.00 0.00 H new ATOM 0 HA LYS A 97 4.465 -5.937 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.977 -7.618 -12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.450 -7.069 -12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.377 -6.331 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.841 -4.890 -13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.205 -5.241 -13.955 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.817 -6.760 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.372 -5.544 -16.368 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.774 -4.027 -15.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.139 -4.399 -17.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.108 -4.393 -16.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.718 -5.862 -16.898 1.00 0.00 H new ATOM 1144 N THR A 98 6.645 -6.853 -9.554 1.00 0.00 N ATOM 1145 CA THR A 98 7.829 -7.508 -9.023 1.00 0.00 C ATOM 1146 C THR A 98 7.641 -9.017 -8.920 1.00 0.00 C ATOM 1147 O THR A 98 8.598 -9.758 -8.689 1.00 0.00 O ATOM 1148 CB THR A 98 8.193 -6.948 -7.635 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.015 -6.877 -6.816 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.830 -5.568 -7.746 1.00 0.00 C ATOM 0 H THR A 98 6.055 -6.415 -8.847 1.00 0.00 H new ATOM 0 HA THR A 98 8.641 -7.304 -9.721 1.00 0.00 H new ATOM 0 HB THR A 98 8.918 -7.620 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.251 -6.522 -5.934 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.076 -5.199 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.740 -5.634 -8.343 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.131 -4.882 -8.225 1.00 0.00 H new ATOM 1158 N TYR A 99 6.395 -9.455 -9.103 1.00 0.00 N ATOM 1159 CA TYR A 99 6.025 -10.863 -8.969 1.00 0.00 C ATOM 1160 C TYR A 99 6.339 -11.367 -7.569 1.00 0.00 C ATOM 1161 O TYR A 99 7.213 -12.208 -7.369 1.00 0.00 O ATOM 1162 CB TYR A 99 6.730 -11.723 -10.021 1.00 0.00 C ATOM 1163 CG TYR A 99 5.885 -11.986 -11.249 1.00 0.00 C ATOM 1164 CD1 TYR A 99 5.599 -10.971 -12.153 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.371 -13.253 -11.502 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.830 -11.210 -13.274 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.602 -13.500 -12.622 1.00 0.00 C ATOM 1168 CZ TYR A 99 4.332 -12.476 -13.504 1.00 0.00 C ATOM 1169 OH TYR A 99 3.563 -12.718 -14.623 1.00 0.00 O ATOM 0 H TYR A 99 5.616 -8.844 -9.348 1.00 0.00 H new ATOM 0 HA TYR A 99 4.951 -10.945 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.653 -11.229 -10.324 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.011 -12.676 -9.572 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.985 -9.978 -11.976 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.577 -14.057 -10.811 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.619 -10.410 -13.968 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.214 -14.491 -12.806 1.00 0.00 H new ATOM 0 HH TYR A 99 3.293 -13.660 -14.637 1.00 0.00 H new ATOM 1179 N THR A 100 5.608 -10.846 -6.599 1.00 0.00 N ATOM 1180 CA THR A 100 5.805 -11.212 -5.209 1.00 0.00 C ATOM 1181 C THR A 100 4.523 -11.793 -4.596 1.00 0.00 C ATOM 1182 O THR A 100 4.032 -11.297 -3.580 1.00 0.00 O ATOM 1183 CB THR A 100 6.258 -9.976 -4.408 1.00 0.00 C ATOM 1184 OG1 THR A 100 5.592 -8.806 -4.909 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.764 -9.782 -4.502 1.00 0.00 C ATOM 0 H THR A 100 4.867 -10.162 -6.752 1.00 0.00 H new ATOM 0 HA THR A 100 6.576 -11.982 -5.165 1.00 0.00 H new ATOM 0 HB THR A 100 5.997 -10.133 -3.362 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.204 -8.303 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.054 -8.903 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.270 -10.661 -4.101 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.049 -9.644 -5.545 1.00 0.00 H new ATOM 1193 N PRO A 101 3.985 -12.894 -5.171 1.00 0.00 N ATOM 1194 CA PRO A 101 2.705 -13.468 -4.761 1.00 0.00 C ATOM 1195 C PRO A 101 2.846 -14.339 -3.522 1.00 0.00 C ATOM 1196 O PRO A 101 1.995 -15.177 -3.228 1.00 0.00 O ATOM 1197 CB PRO A 101 2.274 -14.317 -5.970 1.00 0.00 C ATOM 1198 CG PRO A 101 3.380 -14.204 -6.976 1.00 0.00 C ATOM 1199 CD PRO A 101 4.584 -13.696 -6.237 1.00 0.00 C ATOM 0 HA PRO A 101 1.980 -12.698 -4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.116 -15.356 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.333 -13.955 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.587 -15.171 -7.434 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.103 -13.522 -7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.190 -14.510 -5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.232 -13.099 -6.879 1.00 0.00 H new ATOM 1207 N GLN A 102 3.939 -14.140 -2.812 1.00 0.00 N ATOM 1208 CA GLN A 102 4.193 -14.852 -1.577 1.00 0.00 C ATOM 1209 C GLN A 102 4.419 -13.836 -0.461 1.00 0.00 C ATOM 1210 O GLN A 102 4.909 -14.158 0.621 1.00 0.00 O ATOM 1211 CB GLN A 102 5.405 -15.774 -1.745 1.00 0.00 C ATOM 1212 CG GLN A 102 5.534 -16.822 -0.651 1.00 0.00 C ATOM 1213 CD GLN A 102 6.706 -17.760 -0.865 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.098 -18.040 -1.999 1.00 0.00 O ATOM 1215 NE2 GLN A 102 7.270 -18.254 0.223 1.00 0.00 N ATOM 0 H GLN A 102 4.673 -13.482 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 102 3.337 -15.475 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.337 -16.276 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.311 -15.168 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.646 -16.323 0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.614 -17.404 -0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.914 -17.996 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.061 -18.893 0.142 1.00 0.00 H new ATOM 1224 N SER A 103 4.046 -12.597 -0.751 1.00 0.00 N ATOM 1225 CA SER A 103 4.203 -11.501 0.189 1.00 0.00 C ATOM 1226 C SER A 103 3.056 -10.500 0.046 1.00 0.00 C ATOM 1227 O SER A 103 2.661 -9.855 1.018 1.00 0.00 O ATOM 1228 CB SER A 103 5.553 -10.810 -0.031 1.00 0.00 C ATOM 1229 OG SER A 103 5.755 -9.758 0.898 1.00 0.00 O ATOM 0 H SER A 103 3.628 -12.326 -1.641 1.00 0.00 H new ATOM 0 HA SER A 103 4.177 -11.903 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.357 -11.540 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.600 -10.415 -1.046 1.00 0.00 H new ATOM 0 HG SER A 103 6.625 -9.338 0.733 1.00 0.00 H new ATOM 1235 N SER A 104 2.515 -10.386 -1.164 1.00 0.00 N ATOM 1236 CA SER A 104 1.444 -9.442 -1.436 1.00 0.00 C ATOM 1237 C SER A 104 0.126 -9.893 -0.801 1.00 0.00 C ATOM 1238 O SER A 104 -0.282 -11.050 -0.939 1.00 0.00 O ATOM 1239 CB SER A 104 1.280 -9.278 -2.950 1.00 0.00 C ATOM 1240 OG SER A 104 1.064 -10.534 -3.576 1.00 0.00 O ATOM 0 H SER A 104 2.804 -10.939 -1.971 1.00 0.00 H new ATOM 0 HA SER A 104 1.709 -8.482 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.441 -8.614 -3.159 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.170 -8.808 -3.367 1.00 0.00 H new ATOM 0 HG SER A 104 0.586 -11.128 -2.961 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.522 -8.981 -0.092 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.811 -9.257 0.525 1.00 0.00 C ATOM 1248 C ILE A 105 -2.902 -8.397 -0.108 1.00 0.00 C ATOM 1249 O ILE A 105 -2.627 -7.327 -0.658 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.794 -9.013 2.057 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.402 -7.562 2.374 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.853 -9.992 2.751 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.439 -7.220 3.851 1.00 0.00 C ATOM 0 H ILE A 105 -0.173 -8.037 0.071 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.022 -10.312 0.352 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.801 -9.183 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.397 -7.377 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.074 -6.890 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.857 -9.802 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.186 -11.013 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.158 -9.862 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.149 -6.178 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.448 -7.371 4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.746 -7.865 4.391 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.132 -8.881 -0.038 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.285 -8.152 -0.539 1.00 0.00 C ATOM 1267 C ILE A 106 -6.292 -7.948 0.586 1.00 0.00 C ATOM 1268 O ILE A 106 -6.732 -8.907 1.220 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.955 -8.887 -1.732 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.233 -8.542 -3.036 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.439 -8.552 -1.837 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.783 -9.262 -4.253 1.00 0.00 C ATOM 0 H ILE A 106 -4.358 -9.789 0.367 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.941 -7.184 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.873 -9.959 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.298 -7.467 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.176 -8.785 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.873 -9.085 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.946 -8.853 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.560 -7.479 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.219 -8.965 -5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.693 -10.339 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.833 -9.000 -4.387 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.633 -6.701 0.850 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.583 -6.381 1.902 1.00 0.00 C ATOM 1286 C CYS A 107 -8.970 -6.186 1.310 1.00 0.00 C ATOM 1287 O CYS A 107 -9.104 -5.790 0.151 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.132 -5.126 2.651 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.422 -5.227 3.279 1.00 0.00 S ATOM 0 H CYS A 107 -6.266 -5.891 0.350 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.624 -7.208 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.216 -4.266 1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.808 -4.949 3.488 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.997 -6.482 2.092 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.367 -6.343 1.627 1.00 0.00 C ATOM 1296 C TYR A 108 -12.113 -5.338 2.496 1.00 0.00 C ATOM 1297 O TYR A 108 -11.873 -5.253 3.703 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.093 -7.693 1.658 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.448 -8.771 0.811 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.609 -8.788 -0.572 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.682 -9.775 1.393 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.027 -9.774 -1.346 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.097 -10.764 0.625 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.272 -10.760 -0.743 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.691 -11.746 -1.511 1.00 0.00 O ATOM 0 H TYR A 108 -9.907 -6.820 3.050 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.344 -5.985 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.144 -8.041 2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.119 -7.548 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.198 -8.018 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.542 -9.782 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.162 -9.773 -2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.506 -11.536 1.094 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.193 -12.361 -0.932 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.018 -4.582 1.890 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.774 -3.602 2.638 1.00 0.00 C ATOM 1317 C GLY A 109 -13.624 -2.202 2.086 1.00 0.00 C ATOM 1318 O GLY A 109 -13.608 -2.001 0.870 1.00 0.00 O ATOM 0 H GLY A 109 -13.241 -4.631 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.828 -3.880 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.448 -3.615 3.678 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.494 -1.236 2.984 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.428 0.173 2.609 1.00 0.00 C ATOM 1324 C GLN A 110 -12.004 0.574 2.246 1.00 0.00 C ATOM 1325 O GLN A 110 -11.037 0.065 2.817 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.928 1.050 3.759 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.375 0.794 4.150 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.832 1.667 5.305 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.903 2.044 6.173 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -17.010 2.000 5.417 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.431 -1.403 3.988 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.065 0.319 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.293 0.886 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.819 2.097 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.017 0.973 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.493 -0.255 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.695 1.690 4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.302 2.587 6.199 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.894 1.491 1.294 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.606 2.005 0.848 1.00 0.00 C ATOM 1341 C LEU A 111 -9.843 2.644 2.006 1.00 0.00 C ATOM 1342 O LEU A 111 -10.235 3.691 2.525 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.817 3.033 -0.270 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.554 3.740 -0.783 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.612 2.755 -1.464 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.928 4.866 -1.736 1.00 0.00 C ATOM 0 H LEU A 111 -12.694 1.899 0.810 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.015 1.172 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.296 2.532 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.514 3.791 0.088 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.032 4.166 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.726 3.283 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.315 1.984 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.120 2.292 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.022 5.358 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.476 4.457 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.554 5.591 -1.215 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.759 2.000 2.412 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.949 2.522 3.494 1.00 0.00 C ATOM 1360 C GLY A 112 -8.011 1.652 4.731 1.00 0.00 C ATOM 1361 O GLY A 112 -7.230 1.836 5.667 1.00 0.00 O ATOM 0 H GLY A 112 -8.425 1.124 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.914 2.605 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.285 3.528 3.743 1.00 0.00 H new ATOM 1365 N SER A 113 -8.941 0.707 4.741 1.00 0.00 N ATOM 1366 CA SER A 113 -9.091 -0.194 5.869 1.00 0.00 C ATOM 1367 C SER A 113 -8.305 -1.482 5.643 1.00 0.00 C ATOM 1368 O SER A 113 -8.581 -2.249 4.719 1.00 0.00 O ATOM 1369 CB SER A 113 -10.572 -0.508 6.111 1.00 0.00 C ATOM 1370 OG SER A 113 -10.753 -1.287 7.290 1.00 0.00 O ATOM 0 H SER A 113 -9.601 0.547 3.980 1.00 0.00 H new ATOM 0 HA SER A 113 -8.690 0.300 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.133 0.422 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.976 -1.045 5.253 1.00 0.00 H new ATOM 0 HG SER A 113 -9.991 -1.153 7.891 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.322 -1.702 6.499 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.519 -2.917 6.482 1.00 0.00 C ATOM 1378 C PHE A 114 -6.984 -3.828 7.609 1.00 0.00 C ATOM 1379 O PHE A 114 -6.249 -4.694 8.078 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.031 -2.588 6.676 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.450 -1.682 5.624 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.880 -2.206 4.475 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.462 -0.305 5.794 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.336 -1.375 3.515 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.922 0.530 4.836 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.357 -0.006 3.696 1.00 0.00 C ATOM 0 H PHE A 114 -7.056 -1.041 7.229 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.642 -3.411 5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.899 -2.121 7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.465 -3.519 6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.861 -3.276 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.899 0.119 6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.895 -1.796 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.942 1.600 4.978 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.932 0.645 2.946 1.00 0.00 H new ATOM 1396 N SER A 115 -8.216 -3.610 8.046 1.00 0.00 N ATOM 1397 CA SER A 115 -8.762 -4.309 9.200 1.00 0.00 C ATOM 1398 C SER A 115 -9.002 -5.786 8.898 1.00 0.00 C ATOM 1399 O SER A 115 -9.097 -6.603 9.811 1.00 0.00 O ATOM 1400 CB SER A 115 -10.065 -3.643 9.643 1.00 0.00 C ATOM 1401 OG SER A 115 -9.874 -2.252 9.860 1.00 0.00 O ATOM 0 H SER A 115 -8.861 -2.948 7.614 1.00 0.00 H new ATOM 0 HA SER A 115 -8.032 -4.249 10.007 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.832 -3.795 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.425 -4.112 10.559 1.00 0.00 H new ATOM 0 HG SER A 115 -9.126 -2.117 10.479 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.102 -6.123 7.622 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.313 -7.503 7.215 1.00 0.00 C ATOM 1409 C ASN A 116 -8.659 -7.758 5.867 1.00 0.00 C ATOM 1410 O ASN A 116 -9.177 -7.352 4.823 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.804 -7.832 7.138 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.053 -9.310 6.908 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.288 -10.160 7.371 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.113 -9.629 6.186 1.00 0.00 N ATOM 0 H ASN A 116 -9.040 -5.459 6.850 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.857 -8.149 7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.291 -7.523 8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.260 -7.259 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.323 -10.608 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.721 -8.896 5.821 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.515 -8.418 5.892 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.765 -8.682 4.677 1.00 0.00 C ATOM 1423 C CYS A 117 -6.519 -10.176 4.520 1.00 0.00 C ATOM 1424 O CYS A 117 -6.477 -10.916 5.503 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.436 -7.920 4.705 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.608 -6.143 5.081 1.00 0.00 S ATOM 0 H CYS A 117 -7.084 -8.782 6.742 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.348 -8.338 3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.783 -8.377 5.448 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.945 -8.031 3.738 1.00 0.00 H new ATOM 1431 N SER A 118 -6.377 -10.610 3.281 1.00 0.00 N ATOM 1432 CA SER A 118 -6.136 -12.004 2.972 1.00 0.00 C ATOM 1433 C SER A 118 -4.880 -12.136 2.124 1.00 0.00 C ATOM 1434 O SER A 118 -4.587 -11.273 1.292 1.00 0.00 O ATOM 1435 CB SER A 118 -7.345 -12.586 2.235 1.00 0.00 C ATOM 1436 OG SER A 118 -8.512 -12.504 3.039 1.00 0.00 O ATOM 0 H SER A 118 -6.426 -10.004 2.462 1.00 0.00 H new ATOM 0 HA SER A 118 -5.990 -12.560 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.502 -12.046 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.151 -13.626 1.973 1.00 0.00 H new ATOM 0 HG SER A 118 -9.274 -12.879 2.550 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.128 -13.203 2.351 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.906 -13.447 1.598 1.00 0.00 C ATOM 1444 C HIS A 119 -3.264 -13.849 0.173 1.00 0.00 C ATOM 1445 O HIS A 119 -4.101 -14.726 -0.039 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.064 -14.532 2.278 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.602 -14.467 1.944 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.358 -14.023 2.836 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.066 -14.793 0.811 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.546 -14.076 2.263 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.398 -14.540 1.037 1.00 0.00 N ATOM 0 H HIS A 119 -4.342 -13.914 3.050 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.310 -12.535 1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.184 -14.447 3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.449 -15.510 1.990 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.176 -13.704 3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.367 -15.179 -0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.481 -13.788 2.721 1.00 0.00 H new ATOM 1459 N SER A 120 -2.637 -13.201 -0.796 1.00 0.00 N ATOM 1460 CA SER A 120 -3.002 -13.385 -2.189 1.00 0.00 C ATOM 1461 C SER A 120 -2.126 -14.440 -2.856 1.00 0.00 C ATOM 1462 O SER A 120 -0.905 -14.438 -2.699 1.00 0.00 O ATOM 1463 CB SER A 120 -2.878 -12.056 -2.938 1.00 0.00 C ATOM 1464 OG SER A 120 -3.301 -12.182 -4.284 1.00 0.00 O ATOM 0 H SER A 120 -1.873 -12.543 -0.642 1.00 0.00 H new ATOM 0 HA SER A 120 -4.035 -13.730 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.477 -11.296 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.843 -11.716 -2.910 1.00 0.00 H new ATOM 0 HG SER A 120 -2.988 -11.409 -4.799 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.764 -15.341 -3.592 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.057 -16.323 -4.397 1.00 0.00 C ATOM 1472 C ARG A 121 -2.228 -15.962 -5.872 1.00 0.00 C ATOM 1473 O ARG A 121 -2.592 -16.793 -6.708 1.00 0.00 O ATOM 1474 CB ARG A 121 -2.583 -17.737 -4.106 1.00 0.00 C ATOM 1475 CG ARG A 121 -1.801 -18.844 -4.801 1.00 0.00 C ATOM 1476 CD ARG A 121 -0.360 -18.915 -4.319 1.00 0.00 C ATOM 1477 NE ARG A 121 0.462 -19.747 -5.197 1.00 0.00 N ATOM 1478 CZ ARG A 121 1.402 -20.582 -4.768 1.00 0.00 C ATOM 1479 NH1 ARG A 121 1.611 -20.739 -3.471 1.00 0.00 N ATOM 1480 NH2 ARG A 121 2.122 -21.281 -5.630 1.00 0.00 N ATOM 0 H ARG A 121 -3.780 -15.410 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.996 -16.314 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.558 -17.909 -3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.627 -17.796 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.291 -19.801 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.815 -18.676 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.059 -17.910 -4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.334 -19.318 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 121 0.304 -19.682 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.050 -20.218 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.333 -21.381 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.957 -21.181 -6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.842 -21.920 -5.293 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.996 -14.696 -6.177 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.154 -14.191 -7.534 1.00 0.00 C ATOM 1495 C ASN A 122 -0.797 -13.790 -8.101 1.00 0.00 C ATOM 1496 O ASN A 122 -0.178 -12.835 -7.639 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.108 -12.994 -7.541 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.589 -12.626 -8.930 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -2.909 -11.690 -9.570 1.00 0.00 O flip ATOM 1500 ND2 ASN A 122 -4.584 -13.165 -9.416 1.00 0.00 N flip ATOM 0 H ASN A 122 -1.696 -13.994 -5.500 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.577 -14.977 -8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.969 -13.220 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.606 -12.134 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.082 -13.884 -8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.910 -12.893 -10.343 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.349 -14.535 -9.106 1.00 0.00 N ATOM 1508 CA ASP A 123 0.993 -14.374 -9.670 1.00 0.00 C ATOM 1509 C ASP A 123 1.210 -12.974 -10.224 1.00 0.00 C ATOM 1510 O ASP A 123 2.282 -12.394 -10.067 1.00 0.00 O ATOM 1511 CB ASP A 123 1.242 -15.401 -10.777 1.00 0.00 C ATOM 1512 CG ASP A 123 1.243 -16.828 -10.268 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.150 -17.365 -9.984 1.00 0.00 O ATOM 1514 OD2 ASP A 123 2.334 -17.430 -10.164 1.00 0.00 O ATOM 0 H ASP A 123 -0.901 -15.266 -9.554 1.00 0.00 H new ATOM 0 HA ASP A 123 1.700 -14.535 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.475 -15.295 -11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.200 -15.190 -11.253 1.00 0.00 H new ATOM 1519 N MET A 124 0.195 -12.431 -10.873 1.00 0.00 N ATOM 1520 CA MET A 124 0.293 -11.095 -11.440 1.00 0.00 C ATOM 1521 C MET A 124 -0.322 -10.067 -10.504 1.00 0.00 C ATOM 1522 O MET A 124 -0.965 -9.115 -10.949 1.00 0.00 O ATOM 1523 CB MET A 124 -0.386 -11.026 -12.811 1.00 0.00 C ATOM 1524 CG MET A 124 0.287 -11.872 -13.881 1.00 0.00 C ATOM 1525 SD MET A 124 -0.480 -11.667 -15.503 1.00 0.00 S ATOM 1526 CE MET A 124 -0.126 -9.939 -15.833 1.00 0.00 C ATOM 0 H MET A 124 -0.703 -12.891 -11.021 1.00 0.00 H new ATOM 0 HA MET A 124 1.351 -10.867 -11.567 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.422 -11.347 -12.708 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.406 -9.988 -13.143 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.341 -11.602 -13.944 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.243 -12.922 -13.591 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.172 -9.757 -16.907 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.862 -9.314 -15.327 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.871 -9.695 -15.466 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.137 -10.263 -9.205 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.623 -9.302 -8.227 1.00 0.00 C ATOM 1538 C CYS A 125 0.267 -8.071 -8.275 1.00 0.00 C ATOM 1539 O CYS A 125 1.419 -8.104 -7.837 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.640 -9.895 -6.813 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.003 -9.282 -5.762 1.00 0.00 S ATOM 0 H CYS A 125 0.342 -11.071 -8.808 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.650 -9.034 -8.474 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.712 -10.980 -6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.309 -9.671 -6.326 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.263 -7.000 -8.847 1.00 0.00 N ATOM 1547 CA HIS A 126 0.503 -5.780 -9.042 1.00 0.00 C ATOM 1548 C HIS A 126 0.818 -5.131 -7.704 1.00 0.00 C ATOM 1549 O HIS A 126 -0.089 -4.776 -6.953 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.265 -4.803 -9.938 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.558 -5.352 -11.299 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.834 -5.603 -11.756 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.275 -5.701 -12.307 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.774 -6.083 -12.984 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.505 -6.152 -13.342 1.00 0.00 N ATOM 0 H HIS A 126 -1.224 -6.952 -9.185 1.00 0.00 H new ATOM 0 HA HIS A 126 1.441 -6.038 -9.533 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.203 -4.536 -9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.313 -3.885 -10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.353 -5.637 -12.298 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.619 -6.370 -13.592 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.160 -6.486 -14.242 1.00 0.00 H new ATOM 1563 N SER A 127 2.101 -5.004 -7.404 1.00 0.00 N ATOM 1564 CA SER A 127 2.543 -4.395 -6.160 1.00 0.00 C ATOM 1565 C SER A 127 2.059 -2.949 -6.060 1.00 0.00 C ATOM 1566 O SER A 127 2.244 -2.159 -6.988 1.00 0.00 O ATOM 1567 CB SER A 127 4.070 -4.468 -6.076 1.00 0.00 C ATOM 1568 OG SER A 127 4.651 -4.493 -7.375 1.00 0.00 O ATOM 0 H SER A 127 2.859 -5.317 -8.010 1.00 0.00 H new ATOM 0 HA SER A 127 2.113 -4.942 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.449 -3.610 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.365 -5.360 -5.524 1.00 0.00 H new ATOM 0 HG SER A 127 4.910 -3.584 -7.635 1.00 0.00 H new ATOM 1574 N LEU A 128 1.426 -2.615 -4.940 1.00 0.00 N ATOM 1575 CA LEU A 128 0.878 -1.280 -4.749 1.00 0.00 C ATOM 1576 C LEU A 128 2.001 -0.305 -4.435 1.00 0.00 C ATOM 1577 O LEU A 128 2.785 -0.520 -3.508 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.166 -1.281 -3.625 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.156 -0.107 -3.626 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.383 -0.462 -2.803 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.510 1.159 -3.082 1.00 0.00 C ATOM 0 H LEU A 128 1.281 -3.249 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 128 0.384 -0.966 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.734 -2.210 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.358 -1.288 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.456 0.083 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.080 0.376 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.867 -1.340 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.083 -0.677 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.236 1.972 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.177 0.987 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.346 1.426 -3.702 1.00 0.00 H new ATOM 1593 N GLY A 129 2.078 0.754 -5.219 1.00 0.00 N ATOM 1594 CA GLY A 129 3.117 1.733 -5.037 1.00 0.00 C ATOM 1595 C GLY A 129 2.563 3.101 -4.739 1.00 0.00 C ATOM 1596 O GLY A 129 1.560 3.518 -5.327 1.00 0.00 O ATOM 0 H GLY A 129 1.433 0.952 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.769 1.421 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.732 1.780 -5.936 1.00 0.00 H new ATOM 1600 N LEU A 130 3.204 3.795 -3.821 1.00 0.00 N ATOM 1601 CA LEU A 130 2.821 5.150 -3.487 1.00 0.00 C ATOM 1602 C LEU A 130 4.021 6.072 -3.659 1.00 0.00 C ATOM 1603 O LEU A 130 5.099 5.806 -3.124 1.00 0.00 O ATOM 1604 CB LEU A 130 2.296 5.218 -2.052 1.00 0.00 C ATOM 1605 CG LEU A 130 1.814 6.599 -1.594 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.691 7.107 -2.481 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.353 6.543 -0.147 1.00 0.00 C ATOM 0 H LEU A 130 3.999 3.439 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 130 2.023 5.472 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.472 4.512 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.085 4.885 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 130 2.651 7.292 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.368 8.088 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.046 7.185 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.148 6.413 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.013 7.531 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.533 5.831 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.182 6.227 0.487 1.00 0.00 H new ATOM 1619 N THR A 131 3.845 7.124 -4.438 1.00 0.00 N ATOM 1620 CA THR A 131 4.898 8.102 -4.643 1.00 0.00 C ATOM 1621 C THR A 131 4.569 9.390 -3.908 1.00 0.00 C ATOM 1622 O THR A 131 3.708 10.154 -4.338 1.00 0.00 O ATOM 1623 CB THR A 131 5.086 8.406 -6.142 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.323 7.187 -6.856 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.243 9.370 -6.372 1.00 0.00 C ATOM 0 H THR A 131 2.980 7.323 -4.940 1.00 0.00 H new ATOM 0 HA THR A 131 5.824 7.682 -4.250 1.00 0.00 H new ATOM 0 HB THR A 131 4.174 8.878 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.440 7.384 -7.809 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.349 9.563 -7.439 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.045 10.307 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.164 8.930 -5.990 1.00 0.00 H new ATOM 1633 N CYS A 132 5.238 9.620 -2.795 1.00 0.00 N ATOM 1634 CA CYS A 132 5.047 10.844 -2.038 1.00 0.00 C ATOM 1635 C CYS A 132 6.175 11.813 -2.349 1.00 0.00 C ATOM 1636 O CYS A 132 7.326 11.404 -2.512 1.00 0.00 O ATOM 1637 CB CYS A 132 5.011 10.552 -0.534 1.00 0.00 C ATOM 1638 SG CYS A 132 3.856 9.226 -0.054 1.00 0.00 S ATOM 0 H CYS A 132 5.919 8.976 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 132 4.093 11.288 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.014 10.281 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.738 11.465 -0.005 1.00 0.00 H new ATOM 1643 N LEU A 133 5.842 13.089 -2.458 1.00 0.00 N ATOM 1644 CA LEU A 133 6.846 14.111 -2.688 1.00 0.00 C ATOM 1645 C LEU A 133 7.735 14.229 -1.462 1.00 0.00 C ATOM 1646 O LEU A 133 7.277 14.022 -0.340 1.00 0.00 O ATOM 1647 CB LEU A 133 6.188 15.455 -3.005 1.00 0.00 C ATOM 1648 CG LEU A 133 5.440 15.511 -4.339 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.727 16.843 -4.499 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.398 15.288 -5.500 1.00 0.00 C ATOM 0 H LEU A 133 4.886 13.440 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 133 7.454 13.826 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.490 15.699 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.957 16.228 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 133 4.695 14.715 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.202 16.862 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.010 16.972 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.457 17.652 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.847 15.331 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.165 16.062 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.869 14.310 -5.400 1.00 0.00 H new ATOM 1662 N GLU A 134 8.999 14.529 -1.674 1.00 0.00 N ATOM 1663 CA GLU A 134 9.953 14.586 -0.583 1.00 0.00 C ATOM 1664 C GLU A 134 10.607 15.957 -0.529 1.00 0.00 C ATOM 1665 O GLU A 134 11.636 16.151 -1.202 1.00 0.00 O ATOM 1666 CB GLU A 134 11.003 13.490 -0.768 1.00 0.00 C ATOM 1667 CG GLU A 134 10.393 12.110 -0.935 1.00 0.00 C ATOM 1668 CD GLU A 134 11.352 11.109 -1.536 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.940 11.410 -2.597 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.505 10.007 -0.973 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.072 16.840 0.174 1.00 0.00 O ATOM 0 H GLU A 134 9.391 14.738 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 134 9.435 14.421 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.612 13.721 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.671 13.485 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.059 11.747 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.509 12.184 -1.569 1.00 0.00 H new