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 58 MET CE :methyl 149:sc= -0.839 (180deg=-2.2) USER MOD Set 1.2: A 98 THR OG1 : rot 73:sc= 1.05 USER MOD Set 1.3: A 127 SER OG : rot -84:sc= 1.78 USER MOD Set 2.1: A 122 ASN : amide:sc= -0.018 K(o=-0.018,f=-0.62) USER MOD Set 2.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 57 HIS : no HE2:sc= 0.326 K(o=0.32,f=-4.9!) USER MOD Set 3.2: A 119 HIS : no HE2:sc=-0.00152 K(o=0.32,f=-3.4!) USER MOD Set 4.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 113 SER OG : rot -96:sc= 1.19 USER MOD Set 4.3: A 115 SER OG : rot 180:sc= 1 USER MOD Set 5.1: A 68 SER OG : rot -98:sc= 1.04 USER MOD Set 5.2: A 126 HIS : no HE2:sc= 1.16 K(o=2.2,f=-7!) USER MOD Set 6.1: A 38 THR OG1 : rot 84:sc= 1.95 USER MOD Set 6.2: A 40 SER OG : rot -148:sc= 2.18 USER MOD Set 6.3: A 47 GLN : amide:sc= 0.0673 K(o=4.2,f=-1.6!) USER MOD Set 7.1: A 41 ASN : amide:sc= -0.903 K(o=-0.9,f=-1.7) USER MOD Set 7.2: A 45 GLN : amide:sc= 0 X(o=-0.9,f=-0.9) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.439 K(o=0.44,f=-0.85) USER MOD Single : A 42 SER OG : rot -99:sc= 1.29 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc=-0.00324 (180deg=-0.0918) USER MOD Single : A 61 SER OG : rot 75:sc= 0.328 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 63 SER OG : rot 88:sc= 1.66 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00216 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.169 F(o=-1.1,f=-0.17) USER MOD Single : A 78 SER OG : rot -88:sc= 0.288 USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= -0.382 (180deg=-0.935) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.58) 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 USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= -0.402 (180deg=-2.66!) USER MOD Single : A 99 TYR OH : rot -149:sc= 1.23 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 102 GLN :FLIP amide:sc=-0.00919 F(o=-1.4!,f=-0.0092) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -80:sc= 1.01 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -100:sc= 0.344 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.510 -2.088 11.035 1.00 0.00 N ATOM 24 CA LEU A 26 -6.350 -1.214 11.032 1.00 0.00 C ATOM 25 C LEU A 26 -6.446 -0.248 9.864 1.00 0.00 C ATOM 26 O LEU A 26 -6.156 -0.602 8.726 1.00 0.00 O ATOM 27 CB LEU A 26 -5.056 -2.029 10.948 1.00 0.00 C ATOM 28 CG LEU A 26 -4.685 -2.806 12.214 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.403 -3.585 11.998 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.536 -1.868 13.404 1.00 0.00 C ATOM 0 HA LEU A 26 -6.331 -0.649 11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.144 -2.735 10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.236 -1.353 10.704 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.491 -3.507 12.430 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.152 -4.132 12.907 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.539 -4.289 11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.595 -2.895 11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.272 -2.444 14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.751 -1.140 13.198 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.478 -1.347 13.577 1.00 0.00 H new ATOM 42 N SER A 27 -6.869 0.966 10.143 1.00 0.00 N ATOM 43 CA SER A 27 -7.071 1.956 9.103 1.00 0.00 C ATOM 44 C SER A 27 -5.899 2.922 9.084 1.00 0.00 C ATOM 45 O SER A 27 -5.327 3.233 10.128 1.00 0.00 O ATOM 46 CB SER A 27 -8.373 2.717 9.354 1.00 0.00 C ATOM 47 OG SER A 27 -9.463 1.821 9.505 1.00 0.00 O ATOM 0 H SER A 27 -7.081 1.294 11.085 1.00 0.00 H new ATOM 0 HA SER A 27 -7.137 1.455 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.274 3.329 10.250 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.568 3.396 8.524 1.00 0.00 H new ATOM 0 HG SER A 27 -10.285 2.330 9.666 1.00 0.00 H new ATOM 53 N TRP A 28 -5.543 3.412 7.898 1.00 0.00 N ATOM 54 CA TRP A 28 -4.409 4.323 7.768 1.00 0.00 C ATOM 55 C TRP A 28 -4.690 5.681 8.414 1.00 0.00 C ATOM 56 O TRP A 28 -3.848 6.579 8.391 1.00 0.00 O ATOM 57 CB TRP A 28 -3.989 4.493 6.297 1.00 0.00 C ATOM 58 CG TRP A 28 -5.068 4.964 5.360 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.193 5.678 5.665 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.096 4.764 3.942 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.923 5.918 4.529 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.269 5.371 3.458 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.243 4.124 3.034 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.614 5.360 2.108 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.586 4.117 1.692 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.761 4.729 1.243 1.00 0.00 C ATOM 0 H TRP A 28 -6.018 3.196 7.022 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.577 3.870 8.306 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.162 5.201 6.254 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.610 3.538 5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.467 6.006 6.657 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.809 6.422 4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.336 3.646 3.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.520 5.831 1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.935 3.631 0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.001 4.703 0.190 1.00 0.00 H new ATOM 77 N TYR A 29 -5.873 5.824 9.003 1.00 0.00 N ATOM 78 CA TYR A 29 -6.228 7.046 9.698 1.00 0.00 C ATOM 79 C TYR A 29 -6.085 6.853 11.208 1.00 0.00 C ATOM 80 O TYR A 29 -6.226 7.800 11.981 1.00 0.00 O ATOM 81 CB TYR A 29 -7.651 7.485 9.339 1.00 0.00 C ATOM 82 CG TYR A 29 -7.900 8.959 9.594 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.346 9.923 8.760 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.671 9.388 10.671 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.552 11.269 8.988 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.877 10.734 10.905 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.317 11.670 10.061 1.00 0.00 C ATOM 88 OH TYR A 29 -8.518 13.013 10.295 1.00 0.00 O ATOM 0 H TYR A 29 -6.598 5.107 9.010 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.545 7.835 9.381 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.838 7.268 8.287 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.363 6.897 9.917 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.744 9.614 7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.114 8.659 11.333 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.115 12.004 8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.475 11.052 11.746 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.081 13.126 11.089 1.00 0.00 H new ATOM 98 N ASP A 30 -5.788 5.623 11.622 1.00 0.00 N ATOM 99 CA ASP A 30 -5.541 5.335 13.032 1.00 0.00 C ATOM 100 C ASP A 30 -4.209 5.942 13.448 1.00 0.00 C ATOM 101 O ASP A 30 -3.246 5.950 12.675 1.00 0.00 O ATOM 102 CB ASP A 30 -5.539 3.824 13.310 1.00 0.00 C ATOM 103 CG ASP A 30 -6.922 3.203 13.221 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.867 3.766 13.807 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.067 2.134 12.588 1.00 0.00 O ATOM 0 H ASP A 30 -5.713 4.814 11.005 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.348 5.777 13.616 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.878 3.330 12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.129 3.643 14.304 1.00 0.00 H new ATOM 110 N PRO A 31 -4.143 6.468 14.681 1.00 0.00 N ATOM 111 CA PRO A 31 -2.991 7.235 15.165 1.00 0.00 C ATOM 112 C PRO A 31 -1.719 6.405 15.296 1.00 0.00 C ATOM 113 O PRO A 31 -0.620 6.954 15.343 1.00 0.00 O ATOM 114 CB PRO A 31 -3.441 7.741 16.538 1.00 0.00 C ATOM 115 CG PRO A 31 -4.511 6.800 16.962 1.00 0.00 C ATOM 116 CD PRO A 31 -5.198 6.354 15.702 1.00 0.00 C ATOM 0 HA PRO A 31 -2.727 8.027 14.464 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.614 7.744 17.248 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.815 8.763 16.479 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.091 5.949 17.499 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.214 7.288 17.637 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.568 5.332 15.786 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.055 6.985 15.467 1.00 0.00 H new ATOM 124 N ASP A 32 -1.865 5.089 15.347 1.00 0.00 N ATOM 125 CA ASP A 32 -0.712 4.204 15.493 1.00 0.00 C ATOM 126 C ASP A 32 -0.673 3.181 14.358 1.00 0.00 C ATOM 127 O ASP A 32 -0.255 2.037 14.536 1.00 0.00 O ATOM 128 CB ASP A 32 -0.748 3.512 16.862 1.00 0.00 C ATOM 129 CG ASP A 32 0.513 2.721 17.168 1.00 0.00 C ATOM 130 OD1 ASP A 32 1.621 3.173 16.795 1.00 0.00 O ATOM 131 OD2 ASP A 32 0.401 1.644 17.792 1.00 0.00 O ATOM 0 H ASP A 32 -2.764 4.610 15.290 1.00 0.00 H new ATOM 0 HA ASP A 32 0.199 4.799 15.435 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.895 4.264 17.638 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.607 2.842 16.901 1.00 0.00 H new ATOM 136 N PHE A 33 -1.127 3.594 13.183 1.00 0.00 N ATOM 137 CA PHE A 33 -1.027 2.748 12.005 1.00 0.00 C ATOM 138 C PHE A 33 0.406 2.767 11.483 1.00 0.00 C ATOM 139 O PHE A 33 0.969 3.833 11.231 1.00 0.00 O ATOM 140 CB PHE A 33 -2.002 3.211 10.920 1.00 0.00 C ATOM 141 CG PHE A 33 -1.959 2.365 9.679 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.509 1.093 9.675 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.368 2.841 8.518 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.471 0.313 8.536 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.331 2.065 7.378 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.881 0.801 7.387 1.00 0.00 C ATOM 0 H PHE A 33 -1.564 4.501 13.022 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.293 1.727 12.279 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.015 3.200 11.323 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.775 4.244 10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.972 0.708 10.572 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.932 3.829 8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.902 -0.677 8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.871 2.448 6.479 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.850 0.192 6.495 1.00 0.00 H new ATOM 156 N GLN A 34 0.990 1.588 11.327 1.00 0.00 N ATOM 157 CA GLN A 34 2.392 1.478 10.949 1.00 0.00 C ATOM 158 C GLN A 34 2.541 0.952 9.528 1.00 0.00 C ATOM 159 O GLN A 34 2.078 -0.145 9.204 1.00 0.00 O ATOM 160 CB GLN A 34 3.132 0.568 11.931 1.00 0.00 C ATOM 161 CG GLN A 34 3.130 1.093 13.359 1.00 0.00 C ATOM 162 CD GLN A 34 3.719 2.486 13.474 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.596 2.871 12.702 1.00 0.00 O ATOM 164 NE2 GLN A 34 3.241 3.258 14.440 1.00 0.00 N ATOM 0 H GLN A 34 0.516 0.694 11.456 1.00 0.00 H new ATOM 0 HA GLN A 34 2.831 2.475 10.986 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.674 -0.421 11.915 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.163 0.447 11.597 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.107 1.104 13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.696 0.411 13.993 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.513 2.905 15.062 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.601 4.205 14.561 1.00 0.00 H new ATOM 173 N ALA A 35 3.190 1.746 8.685 1.00 0.00 N ATOM 174 CA ALA A 35 3.421 1.377 7.296 1.00 0.00 C ATOM 175 C ALA A 35 4.729 1.979 6.797 1.00 0.00 C ATOM 176 O ALA A 35 5.274 2.896 7.418 1.00 0.00 O ATOM 177 CB ALA A 35 2.260 1.837 6.422 1.00 0.00 C ATOM 0 H ALA A 35 3.568 2.657 8.944 1.00 0.00 H new ATOM 0 HA ALA A 35 3.492 0.291 7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.449 1.553 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.338 1.367 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.161 2.920 6.489 1.00 0.00 H new ATOM 183 N ARG A 36 5.237 1.457 5.688 1.00 0.00 N ATOM 184 CA ARG A 36 6.463 1.965 5.089 1.00 0.00 C ATOM 185 C ARG A 36 6.517 1.610 3.611 1.00 0.00 C ATOM 186 O ARG A 36 5.688 0.847 3.115 1.00 0.00 O ATOM 187 CB ARG A 36 7.698 1.403 5.801 1.00 0.00 C ATOM 188 CG ARG A 36 7.940 -0.081 5.563 1.00 0.00 C ATOM 189 CD ARG A 36 9.300 -0.320 4.920 1.00 0.00 C ATOM 190 NE ARG A 36 10.383 0.320 5.672 1.00 0.00 N ATOM 191 CZ ARG A 36 11.544 0.690 5.132 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.767 0.510 3.839 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.484 1.247 5.877 1.00 0.00 N ATOM 0 H ARG A 36 4.815 0.677 5.183 1.00 0.00 H new ATOM 0 HA ARG A 36 6.464 3.050 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.576 1.959 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.594 1.575 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.883 -0.618 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.156 -0.482 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.487 -1.392 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.291 0.064 3.900 1.00 0.00 H new ATOM 0 HE ARG A 36 10.240 0.492 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.049 0.087 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.657 0.795 3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.323 1.396 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.370 1.527 5.455 1.00 0.00 H new ATOM 206 N LEU A 37 7.488 2.174 2.915 1.00 0.00 N ATOM 207 CA LEU A 37 7.682 1.899 1.506 1.00 0.00 C ATOM 208 C LEU A 37 9.041 1.242 1.286 1.00 0.00 C ATOM 209 O LEU A 37 10.021 1.579 1.953 1.00 0.00 O ATOM 210 CB LEU A 37 7.551 3.198 0.711 1.00 0.00 C ATOM 211 CG LEU A 37 6.155 3.829 0.774 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.188 5.270 0.316 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.182 3.044 -0.082 1.00 0.00 C ATOM 0 H LEU A 37 8.160 2.832 3.310 1.00 0.00 H new ATOM 0 HA LEU A 37 6.918 1.206 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.280 3.916 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.803 3.001 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 37 5.824 3.803 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.185 5.692 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.858 5.841 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.545 5.317 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.196 3.504 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.525 3.044 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.124 2.018 0.281 1.00 0.00 H new ATOM 225 N THR A 38 9.072 0.297 0.360 1.00 0.00 N ATOM 226 CA THR A 38 10.247 -0.532 0.109 1.00 0.00 C ATOM 227 C THR A 38 11.444 0.278 -0.390 1.00 0.00 C ATOM 228 O THR A 38 11.312 1.443 -0.780 1.00 0.00 O ATOM 229 CB THR A 38 9.916 -1.614 -0.930 1.00 0.00 C ATOM 230 OG1 THR A 38 9.322 -1.003 -2.081 1.00 0.00 O ATOM 231 CG2 THR A 38 8.968 -2.655 -0.355 1.00 0.00 C ATOM 0 H THR A 38 8.279 0.080 -0.244 1.00 0.00 H new ATOM 0 HA THR A 38 10.520 -0.984 1.063 1.00 0.00 H new ATOM 0 HB THR A 38 10.841 -2.116 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.027 -0.673 -2.677 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.752 -3.408 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.432 -3.132 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.040 -2.172 -0.048 1.00 0.00 H new ATOM 239 N ARG A 39 12.612 -0.364 -0.389 1.00 0.00 N ATOM 240 CA ARG A 39 13.859 0.256 -0.839 1.00 0.00 C ATOM 241 C ARG A 39 13.914 0.329 -2.364 1.00 0.00 C ATOM 242 O ARG A 39 14.872 -0.130 -2.990 1.00 0.00 O ATOM 243 CB ARG A 39 15.073 -0.531 -0.325 1.00 0.00 C ATOM 244 CG ARG A 39 15.259 -0.505 1.187 1.00 0.00 C ATOM 245 CD ARG A 39 15.582 0.893 1.691 1.00 0.00 C ATOM 246 NE ARG A 39 16.681 1.505 0.943 1.00 0.00 N ATOM 247 CZ ARG A 39 17.923 1.621 1.395 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.245 1.154 2.592 1.00 0.00 N ATOM 249 NH2 ARG A 39 18.845 2.208 0.651 1.00 0.00 N ATOM 0 H ARG A 39 12.721 -1.329 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 39 13.888 1.267 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.979 -1.568 -0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.972 -0.132 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.352 -0.866 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.062 -1.187 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.695 1.521 1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.845 0.846 2.748 1.00 0.00 H new ATOM 0 HE ARG A 39 16.478 1.867 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.537 0.703 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.201 1.246 2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.601 2.572 -0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.800 2.297 0.998 1.00 0.00 H new ATOM 262 N SER A 40 12.879 0.900 -2.957 1.00 0.00 N ATOM 263 CA SER A 40 12.800 1.036 -4.402 1.00 0.00 C ATOM 264 C SER A 40 13.598 2.250 -4.867 1.00 0.00 C ATOM 265 O SER A 40 14.041 2.320 -6.016 1.00 0.00 O ATOM 266 CB SER A 40 11.338 1.165 -4.821 1.00 0.00 C ATOM 267 OG SER A 40 10.557 0.153 -4.207 1.00 0.00 O ATOM 0 H SER A 40 12.076 1.280 -2.456 1.00 0.00 H new ATOM 0 HA SER A 40 13.229 0.149 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.958 2.147 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.256 1.089 -5.905 1.00 0.00 H new ATOM 0 HG SER A 40 9.822 -0.101 -4.804 1.00 0.00 H new ATOM 273 N ASN A 41 13.775 3.201 -3.958 1.00 0.00 N ATOM 274 CA ASN A 41 14.565 4.400 -4.216 1.00 0.00 C ATOM 275 C ASN A 41 14.761 5.142 -2.906 1.00 0.00 C ATOM 276 O ASN A 41 15.885 5.388 -2.469 1.00 0.00 O ATOM 277 CB ASN A 41 13.868 5.313 -5.229 1.00 0.00 C ATOM 278 CG ASN A 41 14.728 6.495 -5.649 1.00 0.00 C ATOM 279 OD1 ASN A 41 14.224 7.597 -5.861 1.00 0.00 O ATOM 280 ND2 ASN A 41 16.023 6.270 -5.804 1.00 0.00 N ATOM 0 H ASN A 41 13.375 3.163 -3.020 1.00 0.00 H new ATOM 0 HA ASN A 41 15.528 4.108 -4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.602 4.732 -6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.937 5.682 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.639 7.024 -6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.405 5.343 -5.619 1.00 0.00 H new ATOM 287 N SER A 42 13.645 5.466 -2.277 1.00 0.00 N ATOM 288 CA SER A 42 13.645 6.102 -0.979 1.00 0.00 C ATOM 289 C SER A 42 12.442 5.602 -0.194 1.00 0.00 C ATOM 290 O SER A 42 11.566 4.940 -0.751 1.00 0.00 O ATOM 291 CB SER A 42 13.597 7.621 -1.140 1.00 0.00 C ATOM 292 OG SER A 42 13.852 8.273 0.093 1.00 0.00 O ATOM 0 H SER A 42 12.714 5.294 -2.656 1.00 0.00 H new ATOM 0 HA SER A 42 14.558 5.852 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.333 7.935 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.619 7.919 -1.517 1.00 0.00 H new ATOM 0 HG SER A 42 13.003 8.540 0.503 1.00 0.00 H new ATOM 298 N LYS A 43 12.390 5.935 1.087 1.00 0.00 N ATOM 299 CA LYS A 43 11.391 5.370 1.985 1.00 0.00 C ATOM 300 C LYS A 43 10.017 5.999 1.779 1.00 0.00 C ATOM 301 O LYS A 43 9.049 5.599 2.422 1.00 0.00 O ATOM 302 CB LYS A 43 11.826 5.533 3.444 1.00 0.00 C ATOM 303 CG LYS A 43 13.125 4.816 3.788 1.00 0.00 C ATOM 304 CD LYS A 43 13.498 5.017 5.247 1.00 0.00 C ATOM 305 CE LYS A 43 13.638 6.490 5.591 1.00 0.00 C ATOM 306 NZ LYS A 43 13.935 6.696 7.033 1.00 0.00 N ATOM 0 H LYS A 43 13.029 6.595 1.530 1.00 0.00 H new ATOM 0 HA LYS A 43 11.311 4.309 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.941 6.595 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.034 5.159 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.021 3.751 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.928 5.188 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.737 4.565 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.436 4.503 5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.434 6.929 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.717 7.013 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.023 7.714 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.163 6.300 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.827 6.219 7.275 1.00 0.00 H new ATOM 319 N CYS A 44 9.935 6.982 0.891 1.00 0.00 N ATOM 320 CA CYS A 44 8.663 7.625 0.596 1.00 0.00 C ATOM 321 C CYS A 44 8.265 7.440 -0.864 1.00 0.00 C ATOM 322 O CYS A 44 7.488 8.226 -1.414 1.00 0.00 O ATOM 323 CB CYS A 44 8.717 9.104 0.964 1.00 0.00 C ATOM 324 SG CYS A 44 8.927 9.392 2.750 1.00 0.00 S ATOM 0 H CYS A 44 10.729 7.349 0.366 1.00 0.00 H new ATOM 0 HA CYS A 44 7.896 7.144 1.203 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.540 9.575 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.800 9.589 0.630 1.00 0.00 H new ATOM 329 N GLN A 45 8.786 6.386 -1.486 1.00 0.00 N ATOM 330 CA GLN A 45 8.360 6.001 -2.823 1.00 0.00 C ATOM 331 C GLN A 45 8.740 4.551 -3.108 1.00 0.00 C ATOM 332 O GLN A 45 9.913 4.174 -3.056 1.00 0.00 O ATOM 333 CB GLN A 45 8.947 6.935 -3.887 1.00 0.00 C ATOM 334 CG GLN A 45 10.462 6.976 -3.915 1.00 0.00 C ATOM 335 CD GLN A 45 10.990 7.863 -5.021 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.224 9.051 -4.819 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.174 7.292 -6.201 1.00 0.00 N ATOM 0 H GLN A 45 9.504 5.784 -1.083 1.00 0.00 H new ATOM 0 HA GLN A 45 7.275 6.091 -2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.586 6.623 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.571 7.944 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.832 7.336 -2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.849 5.965 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.967 6.301 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.523 7.843 -6.985 1.00 0.00 H new ATOM 346 N GLY A 46 7.737 3.739 -3.391 1.00 0.00 N ATOM 347 CA GLY A 46 7.976 2.339 -3.675 1.00 0.00 C ATOM 348 C GLY A 46 6.766 1.484 -3.371 1.00 0.00 C ATOM 349 O GLY A 46 5.633 1.964 -3.438 1.00 0.00 O ATOM 0 H GLY A 46 6.758 4.023 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.247 2.223 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.824 1.989 -3.086 1.00 0.00 H new ATOM 353 N GLN A 47 7.000 0.224 -3.030 1.00 0.00 N ATOM 354 CA GLN A 47 5.919 -0.693 -2.713 1.00 0.00 C ATOM 355 C GLN A 47 5.446 -0.455 -1.285 1.00 0.00 C ATOM 356 O GLN A 47 6.262 -0.299 -0.377 1.00 0.00 O ATOM 357 CB GLN A 47 6.353 -2.158 -2.883 1.00 0.00 C ATOM 358 CG GLN A 47 6.740 -2.548 -4.307 1.00 0.00 C ATOM 359 CD GLN A 47 8.157 -2.148 -4.682 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.393 -1.056 -5.195 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.110 -3.036 -4.431 1.00 0.00 N ATOM 0 H GLN A 47 7.932 -0.185 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 47 5.101 -0.504 -3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.201 -2.350 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.540 -2.804 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.633 -3.627 -4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.043 -2.083 -5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.873 -3.931 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.080 -2.823 -4.665 1.00 0.00 H new ATOM 370 N LEU A 48 4.136 -0.410 -1.095 1.00 0.00 N ATOM 371 CA LEU A 48 3.567 -0.143 0.220 1.00 0.00 C ATOM 372 C LEU A 48 3.553 -1.401 1.077 1.00 0.00 C ATOM 373 O LEU A 48 2.926 -2.398 0.718 1.00 0.00 O ATOM 374 CB LEU A 48 2.143 0.415 0.088 1.00 0.00 C ATOM 375 CG LEU A 48 1.465 0.800 1.409 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.189 1.963 2.073 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.003 1.143 1.172 1.00 0.00 C ATOM 0 H LEU A 48 3.447 -0.555 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 48 4.196 0.601 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.173 1.294 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.525 -0.328 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 48 1.516 -0.056 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.689 2.217 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.221 1.679 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.176 2.827 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.465 1.414 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.066 1.982 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.509 0.279 0.748 1.00 0.00 H new ATOM 389 N GLU A 49 4.258 -1.347 2.197 1.00 0.00 N ATOM 390 CA GLU A 49 4.224 -2.418 3.180 1.00 0.00 C ATOM 391 C GLU A 49 3.548 -1.925 4.447 1.00 0.00 C ATOM 392 O GLU A 49 3.837 -0.828 4.928 1.00 0.00 O ATOM 393 CB GLU A 49 5.629 -2.916 3.527 1.00 0.00 C ATOM 394 CG GLU A 49 6.379 -3.538 2.366 1.00 0.00 C ATOM 395 CD GLU A 49 7.756 -4.016 2.772 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.659 -3.173 2.935 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.942 -5.242 2.929 1.00 0.00 O ATOM 0 H GLU A 49 4.865 -0.567 2.448 1.00 0.00 H new ATOM 0 HA GLU A 49 3.665 -3.247 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.212 -2.080 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.553 -3.650 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.806 -4.377 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.471 -2.809 1.561 1.00 0.00 H new ATOM 404 N VAL A 50 2.647 -2.726 4.978 1.00 0.00 N ATOM 405 CA VAL A 50 1.973 -2.392 6.219 1.00 0.00 C ATOM 406 C VAL A 50 2.325 -3.416 7.286 1.00 0.00 C ATOM 407 O VAL A 50 2.579 -4.582 6.972 1.00 0.00 O ATOM 408 CB VAL A 50 0.437 -2.320 6.040 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.070 -1.234 5.039 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.127 -3.665 5.599 1.00 0.00 C ATOM 0 H VAL A 50 2.363 -3.616 4.569 1.00 0.00 H new ATOM 0 HA VAL A 50 2.314 -1.404 6.529 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.005 -2.070 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.013 -1.196 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.431 -0.270 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.529 -1.457 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.208 -3.585 5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.322 -3.954 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.101 -4.420 6.352 1.00 0.00 H new ATOM 420 N TYR A 51 2.374 -2.983 8.537 1.00 0.00 N ATOM 421 CA TYR A 51 2.716 -3.890 9.618 1.00 0.00 C ATOM 422 C TYR A 51 1.465 -4.400 10.311 1.00 0.00 C ATOM 423 O TYR A 51 0.854 -3.699 11.121 1.00 0.00 O ATOM 424 CB TYR A 51 3.638 -3.225 10.646 1.00 0.00 C ATOM 425 CG TYR A 51 4.179 -4.208 11.667 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.284 -4.996 11.377 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.575 -4.367 12.913 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.775 -5.907 12.289 1.00 0.00 C ATOM 429 CE2 TYR A 51 4.060 -5.281 13.829 1.00 0.00 C ATOM 430 CZ TYR A 51 5.161 -6.048 13.512 1.00 0.00 C ATOM 431 OH TYR A 51 5.647 -6.963 14.419 1.00 0.00 O ATOM 0 H TYR A 51 2.184 -2.023 8.825 1.00 0.00 H new ATOM 0 HA TYR A 51 3.249 -4.730 9.173 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.471 -2.750 10.128 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.091 -2.435 11.162 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.769 -4.894 10.418 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.714 -3.766 13.167 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.639 -6.508 12.044 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.579 -5.394 14.789 1.00 0.00 H new ATOM 0 HH TYR A 51 5.102 -6.938 15.233 1.00 0.00 H new ATOM 441 N LEU A 52 1.081 -5.615 9.980 1.00 0.00 N ATOM 442 CA LEU A 52 0.002 -6.277 10.679 1.00 0.00 C ATOM 443 C LEU A 52 0.604 -7.231 11.703 1.00 0.00 C ATOM 444 O LEU A 52 1.828 -7.279 11.848 1.00 0.00 O ATOM 445 CB LEU A 52 -0.905 -7.021 9.693 1.00 0.00 C ATOM 446 CG LEU A 52 -1.431 -6.183 8.521 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.332 -7.022 7.633 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.183 -4.956 9.012 1.00 0.00 C ATOM 0 H LEU A 52 1.501 -6.164 9.230 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.617 -5.540 11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.355 -7.872 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.757 -7.423 10.242 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.571 -5.846 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.697 -6.413 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.769 -7.868 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.178 -7.388 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.543 -4.383 8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.031 -5.269 9.622 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.515 -4.335 9.609 1.00 0.00 H new ATOM 460 N LYS A 53 -0.218 -7.982 12.417 1.00 0.00 N ATOM 461 CA LYS A 53 0.303 -8.907 13.418 1.00 0.00 C ATOM 462 C LYS A 53 1.182 -9.969 12.751 1.00 0.00 C ATOM 463 O LYS A 53 2.113 -10.503 13.358 1.00 0.00 O ATOM 464 CB LYS A 53 -0.843 -9.564 14.193 1.00 0.00 C ATOM 465 CG LYS A 53 -0.394 -10.261 15.468 1.00 0.00 C ATOM 466 CD LYS A 53 -1.569 -10.858 16.228 1.00 0.00 C ATOM 467 CE LYS A 53 -2.583 -9.796 16.632 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.997 -8.774 17.540 1.00 0.00 N ATOM 0 H LYS A 53 -1.234 -7.973 12.327 1.00 0.00 H new ATOM 0 HA LYS A 53 0.914 -8.346 14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.583 -8.804 14.445 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.338 -10.289 13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.317 -11.049 15.221 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.129 -9.549 16.107 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.058 -11.610 15.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.203 -11.368 17.119 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.969 -9.306 15.738 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.430 -10.274 17.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.751 -8.152 17.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.532 -9.247 18.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.298 -8.207 17.019 1.00 0.00 H new ATOM 481 N ASP A 54 0.892 -10.241 11.484 1.00 0.00 N ATOM 482 CA ASP A 54 1.645 -11.213 10.696 1.00 0.00 C ATOM 483 C ASP A 54 2.963 -10.626 10.181 1.00 0.00 C ATOM 484 O ASP A 54 3.767 -11.334 9.570 1.00 0.00 O ATOM 485 CB ASP A 54 0.794 -11.717 9.522 1.00 0.00 C ATOM 486 CG ASP A 54 0.115 -10.593 8.765 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.928 -10.104 9.246 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.611 -10.200 7.689 1.00 0.00 O ATOM 0 H ASP A 54 0.130 -9.795 10.973 1.00 0.00 H new ATOM 0 HA ASP A 54 1.889 -12.051 11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.426 -12.281 8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.037 -12.406 9.897 1.00 0.00 H new ATOM 493 N GLY A 55 3.188 -9.341 10.429 1.00 0.00 N ATOM 494 CA GLY A 55 4.450 -8.725 10.060 1.00 0.00 C ATOM 495 C GLY A 55 4.308 -7.718 8.937 1.00 0.00 C ATOM 496 O GLY A 55 3.194 -7.317 8.589 1.00 0.00 O ATOM 0 H GLY A 55 2.520 -8.715 10.879 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.876 -8.231 10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.153 -9.501 9.758 1.00 0.00 H new ATOM 500 N TRP A 56 5.440 -7.308 8.373 1.00 0.00 N ATOM 501 CA TRP A 56 5.449 -6.368 7.256 1.00 0.00 C ATOM 502 C TRP A 56 5.051 -7.076 5.968 1.00 0.00 C ATOM 503 O TRP A 56 5.711 -8.028 5.544 1.00 0.00 O ATOM 504 CB TRP A 56 6.837 -5.739 7.074 1.00 0.00 C ATOM 505 CG TRP A 56 7.245 -4.817 8.183 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.111 -5.090 9.200 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.808 -3.466 8.378 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.238 -3.995 10.018 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.448 -2.984 9.535 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.936 -2.619 7.686 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.242 -1.692 10.015 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.734 -1.339 8.164 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.383 -0.885 9.318 1.00 0.00 C ATOM 0 H TRP A 56 6.366 -7.613 8.672 1.00 0.00 H new ATOM 0 HA TRP A 56 4.731 -5.580 7.481 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.576 -6.536 6.989 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.853 -5.188 6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.623 -6.031 9.341 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.825 -3.942 10.850 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.430 -2.960 6.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.742 -1.340 10.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.063 -0.676 7.638 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.203 0.122 9.666 1.00 0.00 H new ATOM 524 N HIS A 57 3.981 -6.618 5.348 1.00 0.00 N ATOM 525 CA HIS A 57 3.518 -7.220 4.107 1.00 0.00 C ATOM 526 C HIS A 57 3.134 -6.162 3.084 1.00 0.00 C ATOM 527 O HIS A 57 2.558 -5.127 3.424 1.00 0.00 O ATOM 528 CB HIS A 57 2.346 -8.173 4.368 1.00 0.00 C ATOM 529 CG HIS A 57 2.791 -9.567 4.696 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.367 -10.264 5.807 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.636 -10.394 4.038 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.931 -11.456 5.818 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.708 -11.561 4.755 1.00 0.00 N ATOM 0 H HIS A 57 3.417 -5.835 5.679 1.00 0.00 H new ATOM 0 HA HIS A 57 4.345 -7.797 3.692 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.745 -7.785 5.191 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.703 -8.200 3.488 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.718 -9.913 6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.158 -10.175 3.118 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.783 -12.218 6.569 1.00 0.00 H new ATOM 541 N MET A 58 3.480 -6.439 1.833 1.00 0.00 N ATOM 542 CA MET A 58 3.203 -5.545 0.716 1.00 0.00 C ATOM 543 C MET A 58 1.721 -5.567 0.381 1.00 0.00 C ATOM 544 O MET A 58 1.073 -6.603 0.494 1.00 0.00 O ATOM 545 CB MET A 58 3.994 -5.984 -0.520 1.00 0.00 C ATOM 546 CG MET A 58 5.500 -6.015 -0.324 1.00 0.00 C ATOM 547 SD MET A 58 6.352 -6.818 -1.698 1.00 0.00 S ATOM 548 CE MET A 58 5.722 -5.878 -3.087 1.00 0.00 C ATOM 0 H MET A 58 3.964 -7.296 1.563 1.00 0.00 H new ATOM 0 HA MET A 58 3.499 -4.536 1.004 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.658 -6.978 -0.817 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.761 -5.309 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.871 -4.996 -0.215 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.733 -6.540 0.602 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.479 -5.834 -3.870 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.825 -6.360 -3.476 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.478 -4.867 -2.761 1.00 0.00 H new ATOM 558 N VAL A 59 1.186 -4.436 -0.035 1.00 0.00 N ATOM 559 CA VAL A 59 -0.208 -4.368 -0.442 1.00 0.00 C ATOM 560 C VAL A 59 -0.328 -4.582 -1.951 1.00 0.00 C ATOM 561 O VAL A 59 0.385 -3.954 -2.735 1.00 0.00 O ATOM 562 CB VAL A 59 -0.852 -3.014 -0.055 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.321 -2.973 -0.460 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.704 -2.755 1.439 1.00 0.00 C ATOM 0 H VAL A 59 1.692 -3.553 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.742 -5.159 0.084 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.328 -2.226 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.750 -2.012 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.405 -3.104 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.860 -3.774 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.163 -1.799 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.197 -3.551 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.354 -2.729 1.701 1.00 0.00 H new ATOM 574 N CYS A 60 -1.204 -5.491 -2.350 1.00 0.00 N ATOM 575 CA CYS A 60 -1.445 -5.743 -3.763 1.00 0.00 C ATOM 576 C CYS A 60 -2.522 -4.786 -4.261 1.00 0.00 C ATOM 577 O CYS A 60 -3.485 -4.502 -3.545 1.00 0.00 O ATOM 578 CB CYS A 60 -1.873 -7.200 -3.974 1.00 0.00 C ATOM 579 SG CYS A 60 -1.762 -7.786 -5.702 1.00 0.00 S ATOM 0 H CYS A 60 -1.759 -6.066 -1.717 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.529 -5.576 -4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.253 -7.841 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.901 -7.316 -3.631 1.00 0.00 H new ATOM 584 N SER A 61 -2.350 -4.289 -5.483 1.00 0.00 N ATOM 585 CA SER A 61 -3.208 -3.238 -6.038 1.00 0.00 C ATOM 586 C SER A 61 -4.675 -3.665 -6.167 1.00 0.00 C ATOM 587 O SER A 61 -5.552 -2.821 -6.339 1.00 0.00 O ATOM 588 CB SER A 61 -2.673 -2.805 -7.402 1.00 0.00 C ATOM 589 OG SER A 61 -1.298 -2.469 -7.319 1.00 0.00 O ATOM 0 H SER A 61 -1.615 -4.600 -6.118 1.00 0.00 H new ATOM 0 HA SER A 61 -3.183 -2.404 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.813 -3.609 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.240 -1.948 -7.765 1.00 0.00 H new ATOM 0 HG SER A 61 -0.764 -3.288 -7.255 1.00 0.00 H new ATOM 595 N GLN A 62 -4.945 -4.963 -6.075 1.00 0.00 N ATOM 596 CA GLN A 62 -6.313 -5.464 -6.203 1.00 0.00 C ATOM 597 C GLN A 62 -6.997 -5.558 -4.833 1.00 0.00 C ATOM 598 O GLN A 62 -7.846 -6.418 -4.610 1.00 0.00 O ATOM 599 CB GLN A 62 -6.323 -6.835 -6.893 1.00 0.00 C ATOM 600 CG GLN A 62 -5.763 -6.814 -8.311 1.00 0.00 C ATOM 601 CD GLN A 62 -5.811 -8.174 -8.985 1.00 0.00 C ATOM 602 OE1 GLN A 62 -5.714 -9.214 -8.332 1.00 0.00 O ATOM 603 NE2 GLN A 62 -5.966 -8.178 -10.302 1.00 0.00 N ATOM 0 H GLN A 62 -4.242 -5.684 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.871 -4.757 -6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.743 -7.537 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.346 -7.209 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.327 -6.098 -8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.731 -6.464 -8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.043 -7.296 -10.809 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.008 -9.063 -10.808 1.00 0.00 H new ATOM 612 N SER A 63 -6.627 -4.664 -3.922 1.00 0.00 N ATOM 613 CA SER A 63 -7.222 -4.637 -2.592 1.00 0.00 C ATOM 614 C SER A 63 -8.466 -3.752 -2.571 1.00 0.00 C ATOM 615 O SER A 63 -8.608 -2.855 -3.399 1.00 0.00 O ATOM 616 CB SER A 63 -6.205 -4.129 -1.565 1.00 0.00 C ATOM 617 OG SER A 63 -5.129 -5.042 -1.421 1.00 0.00 O ATOM 0 H SER A 63 -5.918 -3.949 -4.081 1.00 0.00 H new ATOM 0 HA SER A 63 -7.515 -5.654 -2.332 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.823 -3.157 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.696 -3.985 -0.602 1.00 0.00 H new ATOM 0 HG SER A 63 -4.437 -4.839 -2.085 1.00 0.00 H new ATOM 623 N TRP A 64 -9.364 -4.035 -1.626 1.00 0.00 N ATOM 624 CA TRP A 64 -10.591 -3.257 -1.418 1.00 0.00 C ATOM 625 C TRP A 64 -11.433 -3.164 -2.689 1.00 0.00 C ATOM 626 O TRP A 64 -12.241 -2.246 -2.842 1.00 0.00 O ATOM 627 CB TRP A 64 -10.263 -1.849 -0.910 1.00 0.00 C ATOM 628 CG TRP A 64 -9.483 -1.840 0.370 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.887 -2.317 1.584 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.165 -1.316 0.563 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.899 -2.126 2.516 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.832 -1.514 1.914 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.234 -0.702 -0.280 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.607 -1.118 2.442 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.020 -0.310 0.245 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.716 -0.519 1.592 1.00 0.00 C ATOM 0 H TRP A 64 -9.262 -4.816 -0.978 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.176 -3.784 -0.665 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.696 -1.319 -1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.193 -1.299 -0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.844 -2.777 1.781 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.951 -2.396 3.498 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.461 -0.538 -1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.368 -1.277 3.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.293 0.166 -0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.756 -0.201 1.972 1.00 0.00 H new ATOM 647 N GLY A 65 -11.237 -4.113 -3.597 1.00 0.00 N ATOM 648 CA GLY A 65 -11.966 -4.109 -4.850 1.00 0.00 C ATOM 649 C GLY A 65 -11.701 -2.860 -5.672 1.00 0.00 C ATOM 650 O GLY A 65 -12.587 -2.374 -6.376 1.00 0.00 O ATOM 0 H GLY A 65 -10.583 -4.888 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.688 -4.988 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.034 -4.186 -4.646 1.00 0.00 H new ATOM 654 N ARG A 66 -10.490 -2.326 -5.564 1.00 0.00 N ATOM 655 CA ARG A 66 -10.103 -1.158 -6.340 1.00 0.00 C ATOM 656 C ARG A 66 -9.764 -1.578 -7.763 1.00 0.00 C ATOM 657 O ARG A 66 -9.540 -2.759 -8.038 1.00 0.00 O ATOM 658 CB ARG A 66 -8.888 -0.451 -5.716 1.00 0.00 C ATOM 659 CG ARG A 66 -9.088 0.055 -4.292 1.00 0.00 C ATOM 660 CD ARG A 66 -10.250 1.032 -4.179 1.00 0.00 C ATOM 661 NE ARG A 66 -11.464 0.386 -3.684 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.514 1.050 -3.208 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.530 2.373 -3.241 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.545 0.393 -2.705 1.00 0.00 N ATOM 0 H ARG A 66 -9.761 -2.684 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.942 -0.462 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.044 -1.141 -5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.615 0.393 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.264 -0.793 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.174 0.541 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.974 1.847 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.447 1.475 -5.155 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.509 -0.633 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.738 2.883 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.335 2.883 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.537 -0.627 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.348 0.906 -2.341 1.00 0.00 H new ATOM 677 N SER A 67 -9.746 -0.612 -8.665 1.00 0.00 N ATOM 678 CA SER A 67 -9.342 -0.858 -10.033 1.00 0.00 C ATOM 679 C SER A 67 -7.824 -0.910 -10.123 1.00 0.00 C ATOM 680 O SER A 67 -7.134 -0.037 -9.592 1.00 0.00 O ATOM 681 CB SER A 67 -9.892 0.233 -10.946 1.00 0.00 C ATOM 682 OG SER A 67 -11.306 0.318 -10.847 1.00 0.00 O ATOM 0 H SER A 67 -10.009 0.354 -8.470 1.00 0.00 H new ATOM 0 HA SER A 67 -9.745 -1.817 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.447 1.192 -10.680 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.608 0.025 -11.978 1.00 0.00 H new ATOM 0 HG SER A 67 -11.634 1.026 -11.441 1.00 0.00 H new ATOM 688 N SER A 68 -7.308 -1.937 -10.784 1.00 0.00 N ATOM 689 CA SER A 68 -5.871 -2.106 -10.928 1.00 0.00 C ATOM 690 C SER A 68 -5.333 -1.164 -12.003 1.00 0.00 C ATOM 691 O SER A 68 -4.963 -1.588 -13.098 1.00 0.00 O ATOM 692 CB SER A 68 -5.536 -3.563 -11.262 1.00 0.00 C ATOM 693 OG SER A 68 -4.132 -3.772 -11.323 1.00 0.00 O ATOM 0 H SER A 68 -7.865 -2.666 -11.229 1.00 0.00 H new ATOM 0 HA SER A 68 -5.391 -1.855 -9.982 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.971 -4.220 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.987 -3.832 -12.217 1.00 0.00 H new ATOM 0 HG SER A 68 -3.837 -3.743 -12.257 1.00 0.00 H new ATOM 699 N LYS A 69 -5.307 0.117 -11.677 1.00 0.00 N ATOM 700 CA LYS A 69 -4.792 1.141 -12.569 1.00 0.00 C ATOM 701 C LYS A 69 -4.305 2.320 -11.739 1.00 0.00 C ATOM 702 O LYS A 69 -4.468 2.318 -10.518 1.00 0.00 O ATOM 703 CB LYS A 69 -5.876 1.598 -13.554 1.00 0.00 C ATOM 704 CG LYS A 69 -7.092 2.224 -12.883 1.00 0.00 C ATOM 705 CD LYS A 69 -8.078 2.783 -13.901 1.00 0.00 C ATOM 706 CE LYS A 69 -7.453 3.890 -14.737 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.416 4.470 -15.713 1.00 0.00 N ATOM 0 H LYS A 69 -5.643 0.477 -10.784 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.964 0.730 -13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.443 2.320 -14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.200 0.742 -14.146 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.591 1.477 -12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.767 3.022 -12.216 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.420 1.981 -14.555 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.956 3.169 -13.384 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.087 4.678 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.589 3.495 -15.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.947 5.220 -16.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.746 3.725 -16.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.229 4.871 -15.203 1.00 0.00 H new ATOM 720 N GLN A 70 -3.696 3.307 -12.385 1.00 0.00 N ATOM 721 CA GLN A 70 -3.275 4.519 -11.693 1.00 0.00 C ATOM 722 C GLN A 70 -4.482 5.190 -11.046 1.00 0.00 C ATOM 723 O GLN A 70 -5.379 5.672 -11.746 1.00 0.00 O ATOM 724 CB GLN A 70 -2.598 5.495 -12.660 1.00 0.00 C ATOM 725 CG GLN A 70 -2.061 6.744 -11.976 1.00 0.00 C ATOM 726 CD GLN A 70 -1.517 7.763 -12.954 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.336 7.737 -13.306 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.372 8.671 -13.397 1.00 0.00 N ATOM 0 H GLN A 70 -3.483 3.293 -13.382 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.555 4.242 -10.923 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.778 4.985 -13.166 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.313 5.789 -13.429 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.857 7.201 -11.388 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.273 6.460 -11.279 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.341 8.656 -13.080 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.062 9.385 -14.056 1.00 0.00 H new ATOM 737 N TRP A 71 -4.510 5.207 -9.721 1.00 0.00 N ATOM 738 CA TRP A 71 -5.636 5.766 -8.994 1.00 0.00 C ATOM 739 C TRP A 71 -5.630 7.289 -9.091 1.00 0.00 C ATOM 740 O TRP A 71 -4.587 7.931 -8.965 1.00 0.00 O ATOM 741 CB TRP A 71 -5.622 5.302 -7.532 1.00 0.00 C ATOM 742 CG TRP A 71 -6.757 5.849 -6.722 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.658 6.568 -5.572 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.160 5.736 -7.008 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.908 6.917 -5.124 1.00 0.00 N ATOM 746 CE2 TRP A 71 -8.846 6.416 -5.985 1.00 0.00 C ATOM 747 CE3 TRP A 71 -8.903 5.127 -8.027 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -10.234 6.507 -5.952 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.280 5.219 -7.992 1.00 0.00 C ATOM 750 CH2 TRP A 71 -10.933 5.904 -6.961 1.00 0.00 C ATOM 0 H TRP A 71 -3.765 4.840 -9.129 1.00 0.00 H new ATOM 0 HA TRP A 71 -6.558 5.403 -9.449 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.658 4.213 -7.504 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.680 5.602 -7.073 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.731 6.827 -5.082 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -8.106 7.462 -4.285 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.408 4.595 -8.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.741 7.035 -5.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.863 4.755 -8.773 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.012 5.958 -6.962 1.00 0.00 H new ATOM 761 N GLU A 72 -6.813 7.848 -9.319 1.00 0.00 N ATOM 762 CA GLU A 72 -6.968 9.263 -9.633 1.00 0.00 C ATOM 763 C GLU A 72 -6.758 10.163 -8.411 1.00 0.00 C ATOM 764 O GLU A 72 -6.380 11.326 -8.556 1.00 0.00 O ATOM 765 CB GLU A 72 -8.357 9.498 -10.240 1.00 0.00 C ATOM 766 CG GLU A 72 -8.559 10.889 -10.813 1.00 0.00 C ATOM 767 CD GLU A 72 -9.859 11.009 -11.580 1.00 0.00 C ATOM 768 OE1 GLU A 72 -10.898 11.311 -10.958 1.00 0.00 O ATOM 769 OE2 GLU A 72 -9.851 10.789 -12.808 1.00 0.00 O ATOM 0 H GLU A 72 -7.692 7.332 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.195 9.532 -10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.525 8.765 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.111 9.320 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.548 11.619 -10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.726 11.133 -11.473 1.00 0.00 H new ATOM 776 N ASP A 73 -6.986 9.637 -7.210 1.00 0.00 N ATOM 777 CA ASP A 73 -6.842 10.450 -6.001 1.00 0.00 C ATOM 778 C ASP A 73 -5.902 9.787 -4.997 1.00 0.00 C ATOM 779 O ASP A 73 -6.347 9.166 -4.029 1.00 0.00 O ATOM 780 CB ASP A 73 -8.202 10.699 -5.344 1.00 0.00 C ATOM 781 CG ASP A 73 -8.168 11.857 -4.360 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.458 11.773 -3.337 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.850 12.868 -4.615 1.00 0.00 O ATOM 0 H ASP A 73 -7.266 8.670 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.413 11.406 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.943 10.904 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.523 9.795 -4.826 1.00 0.00 H new ATOM 788 N PRO A 74 -4.583 9.899 -5.213 1.00 0.00 N ATOM 789 CA PRO A 74 -3.581 9.359 -4.291 1.00 0.00 C ATOM 790 C PRO A 74 -3.523 10.155 -2.995 1.00 0.00 C ATOM 791 O PRO A 74 -2.951 9.710 -1.999 1.00 0.00 O ATOM 792 CB PRO A 74 -2.259 9.505 -5.058 1.00 0.00 C ATOM 793 CG PRO A 74 -2.648 9.811 -6.462 1.00 0.00 C ATOM 794 CD PRO A 74 -3.954 10.536 -6.373 1.00 0.00 C ATOM 0 HA PRO A 74 -3.805 8.332 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.647 10.303 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.670 8.589 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.892 10.425 -6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.747 8.898 -7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.816 11.607 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.550 10.414 -7.277 1.00 0.00 H new ATOM 802 N SER A 75 -4.147 11.326 -3.019 1.00 0.00 N ATOM 803 CA SER A 75 -4.104 12.260 -1.906 1.00 0.00 C ATOM 804 C SER A 75 -4.702 11.658 -0.638 1.00 0.00 C ATOM 805 O SER A 75 -4.311 12.016 0.471 1.00 0.00 O ATOM 806 CB SER A 75 -4.854 13.532 -2.284 1.00 0.00 C ATOM 807 OG SER A 75 -4.511 13.950 -3.596 1.00 0.00 O ATOM 0 H SER A 75 -4.697 11.653 -3.813 1.00 0.00 H new ATOM 0 HA SER A 75 -3.060 12.492 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.928 13.358 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.618 14.323 -1.572 1.00 0.00 H new ATOM 0 HG SER A 75 -5.005 14.767 -3.819 1.00 0.00 H new ATOM 813 N GLN A 76 -5.634 10.725 -0.806 1.00 0.00 N ATOM 814 CA GLN A 76 -6.281 10.075 0.328 1.00 0.00 C ATOM 815 C GLN A 76 -5.297 9.218 1.128 1.00 0.00 C ATOM 816 O GLN A 76 -5.622 8.732 2.209 1.00 0.00 O ATOM 817 CB GLN A 76 -7.460 9.218 -0.148 1.00 0.00 C ATOM 818 CG GLN A 76 -8.615 10.023 -0.730 1.00 0.00 C ATOM 819 CD GLN A 76 -9.209 11.012 0.261 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.154 10.686 1.545 1.00 0.00 O flip ATOM 821 NE2 GLN A 76 -9.720 12.064 -0.125 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.958 10.402 -1.718 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.651 10.860 0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.104 8.515 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.828 8.627 0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.267 10.564 -1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.395 9.339 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.745 12.283 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.118 12.716 0.551 1.00 0.00 H new ATOM 830 N ALA A 77 -4.092 9.041 0.597 1.00 0.00 N ATOM 831 CA ALA A 77 -3.063 8.259 1.272 1.00 0.00 C ATOM 832 C ALA A 77 -2.014 9.167 1.907 1.00 0.00 C ATOM 833 O ALA A 77 -0.922 8.719 2.265 1.00 0.00 O ATOM 834 CB ALA A 77 -2.407 7.297 0.294 1.00 0.00 C ATOM 0 H ALA A 77 -3.804 9.430 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.539 7.684 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.641 6.719 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.160 6.621 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.950 7.861 -0.519 1.00 0.00 H new ATOM 840 N SER A 78 -2.355 10.441 2.053 1.00 0.00 N ATOM 841 CA SER A 78 -1.440 11.427 2.613 1.00 0.00 C ATOM 842 C SER A 78 -0.961 11.032 4.008 1.00 0.00 C ATOM 843 O SER A 78 0.178 11.313 4.377 1.00 0.00 O ATOM 844 CB SER A 78 -2.116 12.795 2.655 1.00 0.00 C ATOM 845 OG SER A 78 -3.413 12.699 3.217 1.00 0.00 O ATOM 0 H SER A 78 -3.265 10.818 1.789 1.00 0.00 H new ATOM 0 HA SER A 78 -0.563 11.472 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.511 13.487 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.181 13.204 1.647 1.00 0.00 H new ATOM 0 HG SER A 78 -4.061 12.492 2.511 1.00 0.00 H new ATOM 851 N LYS A 79 -1.830 10.368 4.772 1.00 0.00 N ATOM 852 CA LYS A 79 -1.485 9.898 6.115 1.00 0.00 C ATOM 853 C LYS A 79 -0.202 9.074 6.114 1.00 0.00 C ATOM 854 O LYS A 79 0.595 9.155 7.050 1.00 0.00 O ATOM 855 CB LYS A 79 -2.621 9.060 6.700 1.00 0.00 C ATOM 856 CG LYS A 79 -3.774 9.875 7.261 1.00 0.00 C ATOM 857 CD LYS A 79 -3.336 10.736 8.442 1.00 0.00 C ATOM 858 CE LYS A 79 -2.672 9.910 9.537 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.559 8.828 10.047 1.00 0.00 N ATOM 0 H LYS A 79 -2.782 10.143 4.482 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.326 10.783 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.004 8.396 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.220 8.427 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.183 10.513 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.574 9.205 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.642 11.502 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.202 11.254 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.753 9.471 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.390 10.564 10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.180 8.462 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.514 9.208 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.603 8.058 9.350 1.00 0.00 H new ATOM 872 N VAL A 80 -0.002 8.293 5.062 1.00 0.00 N ATOM 873 CA VAL A 80 1.182 7.455 4.953 1.00 0.00 C ATOM 874 C VAL A 80 2.422 8.323 4.766 1.00 0.00 C ATOM 875 O VAL A 80 3.419 8.160 5.472 1.00 0.00 O ATOM 876 CB VAL A 80 1.067 6.449 3.784 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.332 5.608 3.673 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.152 5.548 3.961 1.00 0.00 C ATOM 0 H VAL A 80 -0.644 8.223 4.273 1.00 0.00 H new ATOM 0 HA VAL A 80 1.269 6.885 5.878 1.00 0.00 H new ATOM 0 HB VAL A 80 0.944 7.017 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.231 4.907 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.188 6.259 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.484 5.055 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.212 4.849 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.061 4.992 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.055 6.158 3.988 1.00 0.00 H new ATOM 888 N CYS A 81 2.340 9.266 3.837 1.00 0.00 N ATOM 889 CA CYS A 81 3.451 10.170 3.568 1.00 0.00 C ATOM 890 C CYS A 81 3.756 11.027 4.795 1.00 0.00 C ATOM 891 O CYS A 81 4.915 11.323 5.080 1.00 0.00 O ATOM 892 CB CYS A 81 3.137 11.066 2.366 1.00 0.00 C ATOM 893 SG CYS A 81 2.531 10.162 0.902 1.00 0.00 S ATOM 0 H CYS A 81 1.516 9.425 3.257 1.00 0.00 H new ATOM 0 HA CYS A 81 4.330 9.568 3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.389 11.802 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.037 11.618 2.093 1.00 0.00 H new ATOM 898 N GLN A 82 2.712 11.413 5.529 1.00 0.00 N ATOM 899 CA GLN A 82 2.880 12.214 6.740 1.00 0.00 C ATOM 900 C GLN A 82 3.650 11.439 7.804 1.00 0.00 C ATOM 901 O GLN A 82 4.544 11.983 8.452 1.00 0.00 O ATOM 902 CB GLN A 82 1.529 12.655 7.311 1.00 0.00 C ATOM 903 CG GLN A 82 0.747 13.594 6.411 1.00 0.00 C ATOM 904 CD GLN A 82 -0.462 14.178 7.112 1.00 0.00 C ATOM 905 OE1 GLN A 82 -1.546 13.600 7.093 1.00 0.00 O ATOM 906 NE2 GLN A 82 -0.287 15.334 7.733 1.00 0.00 N ATOM 0 H GLN A 82 1.743 11.184 5.306 1.00 0.00 H new ATOM 0 HA GLN A 82 3.448 13.101 6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.924 11.770 7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.696 13.145 8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.398 14.402 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.424 13.056 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.629 15.783 7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.068 15.776 8.218 1.00 0.00 H new ATOM 915 N ARG A 83 3.308 10.167 7.976 1.00 0.00 N ATOM 916 CA ARG A 83 3.993 9.326 8.956 1.00 0.00 C ATOM 917 C ARG A 83 5.436 9.069 8.541 1.00 0.00 C ATOM 918 O ARG A 83 6.301 8.815 9.381 1.00 0.00 O ATOM 919 CB ARG A 83 3.257 7.996 9.161 1.00 0.00 C ATOM 920 CG ARG A 83 2.040 8.091 10.073 1.00 0.00 C ATOM 921 CD ARG A 83 2.422 8.589 11.462 1.00 0.00 C ATOM 922 NE ARG A 83 1.334 8.444 12.426 1.00 0.00 N ATOM 923 CZ ARG A 83 0.537 9.443 12.796 1.00 0.00 C ATOM 924 NH1 ARG A 83 0.644 10.627 12.217 1.00 0.00 N ATOM 925 NH2 ARG A 83 -0.373 9.261 13.738 1.00 0.00 N ATOM 0 H ARG A 83 2.567 9.697 7.456 1.00 0.00 H new ATOM 0 HA ARG A 83 3.994 9.865 9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.941 7.615 8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.954 7.268 9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.305 8.765 9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.567 7.112 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.293 8.037 11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.712 9.638 11.401 1.00 0.00 H new ATOM 0 HE ARG A 83 1.176 7.525 12.839 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.339 10.776 11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.032 11.391 12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.468 8.350 14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.980 10.032 14.016 1.00 0.00 H new ATOM 938 N LEU A 84 5.694 9.146 7.246 1.00 0.00 N ATOM 939 CA LEU A 84 7.045 8.986 6.732 1.00 0.00 C ATOM 940 C LEU A 84 7.756 10.337 6.649 1.00 0.00 C ATOM 941 O LEU A 84 8.902 10.420 6.208 1.00 0.00 O ATOM 942 CB LEU A 84 7.008 8.319 5.357 1.00 0.00 C ATOM 943 CG LEU A 84 6.377 6.925 5.328 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.258 6.415 3.901 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.191 5.953 6.167 1.00 0.00 C ATOM 0 H LEU A 84 4.987 9.318 6.532 1.00 0.00 H new ATOM 0 HA LEU A 84 7.603 8.349 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.458 8.964 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.027 8.247 4.978 1.00 0.00 H new ATOM 0 HG LEU A 84 5.375 6.999 5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.807 5.423 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.633 7.095 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.249 6.361 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.727 4.967 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.204 5.890 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.226 6.304 7.198 1.00 0.00 H new ATOM 957 N ASN A 85 7.060 11.385 7.099 1.00 0.00 N ATOM 958 CA ASN A 85 7.589 12.754 7.113 1.00 0.00 C ATOM 959 C ASN A 85 7.962 13.232 5.714 1.00 0.00 C ATOM 960 O ASN A 85 8.994 13.875 5.517 1.00 0.00 O ATOM 961 CB ASN A 85 8.794 12.879 8.053 1.00 0.00 C ATOM 962 CG ASN A 85 8.405 12.807 9.519 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.043 13.816 10.126 1.00 0.00 O ATOM 964 ND2 ASN A 85 8.502 11.624 10.107 1.00 0.00 N ATOM 0 H ASN A 85 6.111 11.309 7.465 1.00 0.00 H new ATOM 0 HA ASN A 85 6.791 13.395 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.506 12.084 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.302 13.825 7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.273 11.526 11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.806 10.811 9.571 1.00 0.00 H new ATOM 971 N CYS A 86 7.111 12.934 4.749 1.00 0.00 N ATOM 972 CA CYS A 86 7.340 13.351 3.376 1.00 0.00 C ATOM 973 C CYS A 86 6.137 14.114 2.842 1.00 0.00 C ATOM 974 O CYS A 86 5.091 14.164 3.492 1.00 0.00 O ATOM 975 CB CYS A 86 7.660 12.140 2.498 1.00 0.00 C ATOM 976 SG CYS A 86 9.272 11.381 2.881 1.00 0.00 S ATOM 0 H CYS A 86 6.252 12.403 4.891 1.00 0.00 H new ATOM 0 HA CYS A 86 8.199 14.022 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.876 11.393 2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.649 12.445 1.452 1.00 0.00 H new ATOM 981 N GLY A 87 6.286 14.702 1.666 1.00 0.00 N ATOM 982 CA GLY A 87 5.251 15.561 1.132 1.00 0.00 C ATOM 983 C GLY A 87 4.056 14.801 0.586 1.00 0.00 C ATOM 984 O GLY A 87 3.948 13.585 0.751 1.00 0.00 O ATOM 0 H GLY A 87 7.107 14.599 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.913 16.240 1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.674 16.176 0.338 1.00 0.00 H new ATOM 988 N ASP A 88 3.172 15.539 -0.071 1.00 0.00 N ATOM 989 CA ASP A 88 1.912 15.015 -0.597 1.00 0.00 C ATOM 990 C ASP A 88 2.135 13.844 -1.556 1.00 0.00 C ATOM 991 O ASP A 88 3.201 13.718 -2.166 1.00 0.00 O ATOM 992 CB ASP A 88 1.162 16.140 -1.319 1.00 0.00 C ATOM 993 CG ASP A 88 1.044 17.394 -0.475 1.00 0.00 C ATOM 994 OD1 ASP A 88 2.081 18.049 -0.228 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.078 17.731 -0.040 1.00 0.00 O ATOM 0 H ASP A 88 3.309 16.532 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 88 1.323 14.644 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.679 16.379 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.165 15.793 -1.589 1.00 0.00 H new ATOM 1000 N PRO A 89 1.122 12.973 -1.702 1.00 0.00 N ATOM 1001 CA PRO A 89 1.200 11.796 -2.555 1.00 0.00 C ATOM 1002 C PRO A 89 0.927 12.125 -4.021 1.00 0.00 C ATOM 1003 O PRO A 89 -0.144 12.619 -4.375 1.00 0.00 O ATOM 1004 CB PRO A 89 0.109 10.867 -2.004 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.618 11.638 -0.943 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.189 13.072 -1.061 1.00 0.00 C ATOM 0 HA PRO A 89 2.196 11.354 -2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.574 10.560 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.547 9.958 -1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.696 11.547 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.382 11.246 0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.888 13.654 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.126 13.556 -0.086 1.00 0.00 H new ATOM 1014 N LEU A 90 1.906 11.837 -4.862 1.00 0.00 N ATOM 1015 CA LEU A 90 1.826 12.136 -6.287 1.00 0.00 C ATOM 1016 C LEU A 90 1.174 10.995 -7.057 1.00 0.00 C ATOM 1017 O LEU A 90 0.312 11.216 -7.911 1.00 0.00 O ATOM 1018 CB LEU A 90 3.230 12.383 -6.847 1.00 0.00 C ATOM 1019 CG LEU A 90 3.997 13.542 -6.209 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.431 13.563 -6.709 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.313 14.871 -6.504 1.00 0.00 C ATOM 0 H LEU A 90 2.778 11.390 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 90 1.213 13.030 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.816 11.472 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.148 12.570 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 90 4.004 13.395 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.965 14.393 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.921 12.625 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.437 13.686 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.876 15.681 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.272 15.028 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.300 14.856 -6.101 1.00 0.00 H new ATOM 1033 N SER A 91 1.585 9.776 -6.753 1.00 0.00 N ATOM 1034 CA SER A 91 1.122 8.611 -7.493 1.00 0.00 C ATOM 1035 C SER A 91 0.727 7.485 -6.545 1.00 0.00 C ATOM 1036 O SER A 91 1.289 7.354 -5.452 1.00 0.00 O ATOM 1037 CB SER A 91 2.216 8.127 -8.447 1.00 0.00 C ATOM 1038 OG SER A 91 2.635 9.162 -9.327 1.00 0.00 O ATOM 0 H SER A 91 2.239 9.565 -5.999 1.00 0.00 H new ATOM 0 HA SER A 91 0.243 8.901 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.070 7.769 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.846 7.282 -9.028 1.00 0.00 H new ATOM 0 HG SER A 91 3.335 8.822 -9.922 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.239 6.681 -6.974 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.731 5.563 -6.187 1.00 0.00 C ATOM 1046 C LEU A 92 -1.367 4.542 -7.128 1.00 0.00 C ATOM 1047 O LEU A 92 -2.265 4.878 -7.902 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.766 6.060 -5.164 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.961 5.198 -3.903 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.926 5.881 -2.943 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.483 3.811 -4.246 1.00 0.00 C ATOM 0 H LEU A 92 -0.701 6.788 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 92 0.093 5.098 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.479 7.063 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.728 6.147 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.986 5.087 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.056 5.262 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.524 6.852 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.890 6.019 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.608 3.233 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.444 3.899 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.772 3.306 -4.900 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.882 3.312 -7.080 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.440 2.258 -7.910 1.00 0.00 C ATOM 1065 C GLY A 93 -0.380 1.267 -8.340 1.00 0.00 C ATOM 1066 O GLY A 93 0.682 1.215 -7.729 1.00 0.00 O ATOM 0 H GLY A 93 -0.110 3.021 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.224 1.737 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.907 2.697 -8.791 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.638 0.455 -9.377 1.00 0.00 N ATOM 1071 CA PRO A 94 0.354 -0.485 -9.915 1.00 0.00 C ATOM 1072 C PRO A 94 1.551 0.248 -10.520 1.00 0.00 C ATOM 1073 O PRO A 94 1.574 0.532 -11.718 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.413 -1.242 -11.010 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.852 -0.994 -10.722 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.914 0.371 -10.099 1.00 0.00 C ATOM 0 HA PRO A 94 0.761 -1.137 -9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.142 -0.880 -12.002 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.185 -2.308 -10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.446 -1.035 -11.635 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.252 -1.751 -10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.006 1.155 -10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.767 0.471 -9.427 1.00 0.00 H new ATOM 1084 N PHE A 95 2.535 0.557 -9.686 1.00 0.00 N ATOM 1085 CA PHE A 95 3.690 1.322 -10.131 1.00 0.00 C ATOM 1086 C PHE A 95 4.842 0.385 -10.479 1.00 0.00 C ATOM 1087 O PHE A 95 5.706 0.714 -11.292 1.00 0.00 O ATOM 1088 CB PHE A 95 4.123 2.312 -9.046 1.00 0.00 C ATOM 1089 CG PHE A 95 4.889 3.492 -9.579 1.00 0.00 C ATOM 1090 CD1 PHE A 95 4.218 4.561 -10.156 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.271 3.535 -9.502 1.00 0.00 C ATOM 1092 CE1 PHE A 95 4.913 5.649 -10.646 1.00 0.00 C ATOM 1093 CE2 PHE A 95 6.970 4.622 -9.991 1.00 0.00 C ATOM 1094 CZ PHE A 95 6.292 5.680 -10.564 1.00 0.00 C ATOM 0 H PHE A 95 2.556 0.291 -8.702 1.00 0.00 H new ATOM 0 HA PHE A 95 3.413 1.882 -11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.239 2.671 -8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.739 1.790 -8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.140 4.542 -10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.808 2.711 -9.055 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.379 6.475 -11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.048 4.644 -9.925 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.838 6.529 -10.947 1.00 0.00 H new ATOM 1104 N LEU A 96 4.849 -0.783 -9.851 1.00 0.00 N ATOM 1105 CA LEU A 96 5.864 -1.793 -10.120 1.00 0.00 C ATOM 1106 C LEU A 96 5.207 -3.156 -10.258 1.00 0.00 C ATOM 1107 O LEU A 96 4.023 -3.313 -9.954 1.00 0.00 O ATOM 1108 CB LEU A 96 6.933 -1.848 -9.013 1.00 0.00 C ATOM 1109 CG LEU A 96 7.826 -0.607 -8.877 1.00 0.00 C ATOM 1110 CD1 LEU A 96 7.172 0.444 -7.990 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.196 -0.986 -8.335 1.00 0.00 C ATOM 0 H LEU A 96 4.161 -1.055 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 96 6.362 -1.519 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.432 -2.017 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.572 -2.712 -9.195 1.00 0.00 H new ATOM 0 HG LEU A 96 7.955 -0.178 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.827 1.312 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.220 0.746 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.001 0.027 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.813 -0.091 -8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.084 -1.448 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.674 -1.691 -9.015 1.00 0.00 H new ATOM 1123 N LYS A 97 5.968 -4.136 -10.710 1.00 0.00 N ATOM 1124 CA LYS A 97 5.451 -5.481 -10.875 1.00 0.00 C ATOM 1125 C LYS A 97 6.432 -6.477 -10.269 1.00 0.00 C ATOM 1126 O LYS A 97 7.206 -7.118 -10.977 1.00 0.00 O ATOM 1127 CB LYS A 97 5.210 -5.775 -12.364 1.00 0.00 C ATOM 1128 CG LYS A 97 4.115 -6.805 -12.638 1.00 0.00 C ATOM 1129 CD LYS A 97 4.528 -8.227 -12.273 1.00 0.00 C ATOM 1130 CE LYS A 97 5.371 -8.886 -13.363 1.00 0.00 C ATOM 1131 NZ LYS A 97 6.708 -8.251 -13.526 1.00 0.00 N ATOM 0 H LYS A 97 6.948 -4.025 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 97 4.496 -5.574 -10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.950 -4.844 -12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.142 -6.127 -12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.222 -6.536 -12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.848 -6.770 -13.694 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.093 -8.211 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.636 -8.827 -12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.502 -9.942 -13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.834 -8.837 -14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.381 -8.950 -13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.635 -7.453 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.043 -7.906 -12.604 1.00 0.00 H new ATOM 1144 N THR A 98 6.405 -6.582 -8.950 1.00 0.00 N ATOM 1145 CA THR A 98 7.296 -7.479 -8.232 1.00 0.00 C ATOM 1146 C THR A 98 6.889 -8.933 -8.462 1.00 0.00 C ATOM 1147 O THR A 98 7.749 -9.805 -8.592 1.00 0.00 O ATOM 1148 CB THR A 98 7.280 -7.165 -6.724 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.366 -5.745 -6.528 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.438 -7.845 -6.007 1.00 0.00 C ATOM 0 H THR A 98 5.771 -6.053 -8.351 1.00 0.00 H new ATOM 0 HA THR A 98 8.307 -7.330 -8.612 1.00 0.00 H new ATOM 0 HB THR A 98 6.347 -7.545 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.516 -5.328 -6.780 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.400 -7.605 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.363 -8.925 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.381 -7.493 -6.425 1.00 0.00 H new ATOM 1158 N TYR A 99 5.581 -9.175 -8.545 1.00 0.00 N ATOM 1159 CA TYR A 99 5.050 -10.517 -8.802 1.00 0.00 C ATOM 1160 C TYR A 99 5.558 -11.508 -7.753 1.00 0.00 C ATOM 1161 O TYR A 99 6.388 -12.376 -8.038 1.00 0.00 O ATOM 1162 CB TYR A 99 5.448 -10.978 -10.207 1.00 0.00 C ATOM 1163 CG TYR A 99 4.610 -12.113 -10.755 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.451 -11.853 -11.475 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.984 -13.441 -10.576 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.688 -12.879 -11.994 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.225 -14.472 -11.097 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.079 -14.184 -11.804 1.00 0.00 C ATOM 1169 OH TYR A 99 2.323 -15.206 -12.328 1.00 0.00 O ATOM 0 H TYR A 99 4.865 -8.456 -8.438 1.00 0.00 H new ATOM 0 HA TYR A 99 3.963 -10.479 -8.738 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.378 -10.130 -10.888 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.493 -11.289 -10.192 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.142 -10.830 -11.631 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.882 -13.670 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.787 -12.658 -12.547 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.529 -15.498 -10.950 1.00 0.00 H new ATOM 0 HH TYR A 99 2.397 -15.996 -11.753 1.00 0.00 H new ATOM 1179 N THR A 100 5.075 -11.352 -6.531 1.00 0.00 N ATOM 1180 CA THR A 100 5.454 -12.230 -5.439 1.00 0.00 C ATOM 1181 C THR A 100 4.269 -12.436 -4.499 1.00 0.00 C ATOM 1182 O THR A 100 4.141 -11.738 -3.490 1.00 0.00 O ATOM 1183 CB THR A 100 6.645 -11.648 -4.648 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.691 -11.265 -5.551 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.186 -12.661 -3.648 1.00 0.00 C ATOM 0 H THR A 100 4.415 -10.619 -6.271 1.00 0.00 H new ATOM 0 HA THR A 100 5.755 -13.188 -5.864 1.00 0.00 H new ATOM 0 HB THR A 100 6.292 -10.774 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.443 -10.895 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.024 -12.224 -3.105 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.400 -12.933 -2.944 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.522 -13.552 -4.178 1.00 0.00 H new ATOM 1193 N PRO A 101 3.391 -13.408 -4.817 1.00 0.00 N ATOM 1194 CA PRO A 101 2.155 -13.657 -4.059 1.00 0.00 C ATOM 1195 C PRO A 101 2.402 -14.303 -2.696 1.00 0.00 C ATOM 1196 O PRO A 101 1.717 -15.245 -2.302 1.00 0.00 O ATOM 1197 CB PRO A 101 1.371 -14.601 -4.972 1.00 0.00 C ATOM 1198 CG PRO A 101 2.414 -15.324 -5.750 1.00 0.00 C ATOM 1199 CD PRO A 101 3.538 -14.344 -5.948 1.00 0.00 C ATOM 0 HA PRO A 101 1.634 -12.729 -3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.757 -15.292 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.698 -14.049 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.758 -16.209 -5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.020 -15.665 -6.708 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.509 -14.840 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.457 -13.830 -6.906 1.00 0.00 H new ATOM 1207 N GLN A 102 3.382 -13.782 -1.985 1.00 0.00 N ATOM 1208 CA GLN A 102 3.694 -14.231 -0.640 1.00 0.00 C ATOM 1209 C GLN A 102 3.827 -13.018 0.261 1.00 0.00 C ATOM 1210 O GLN A 102 3.184 -12.923 1.303 1.00 0.00 O ATOM 1211 CB GLN A 102 4.998 -15.029 -0.618 1.00 0.00 C ATOM 1212 CG GLN A 102 4.998 -16.263 -1.508 1.00 0.00 C ATOM 1213 CD GLN A 102 6.331 -16.988 -1.485 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.405 -16.253 -1.257 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 6.394 -18.204 -1.660 1.00 0.00 N flip ATOM 0 H GLN A 102 3.987 -13.033 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 102 2.892 -14.880 -0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.814 -14.375 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.204 -15.336 0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.211 -16.943 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.763 -15.970 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.543 -18.739 -1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.297 -18.677 -1.632 1.00 0.00 H new ATOM 1224 N SER A 103 4.666 -12.085 -0.169 1.00 0.00 N ATOM 1225 CA SER A 103 4.850 -10.835 0.543 1.00 0.00 C ATOM 1226 C SER A 103 3.673 -9.898 0.295 1.00 0.00 C ATOM 1227 O SER A 103 3.338 -9.080 1.147 1.00 0.00 O ATOM 1228 CB SER A 103 6.154 -10.165 0.106 1.00 0.00 C ATOM 1229 OG SER A 103 7.277 -10.996 0.366 1.00 0.00 O ATOM 0 H SER A 103 5.231 -12.175 -1.013 1.00 0.00 H new ATOM 0 HA SER A 103 4.903 -11.052 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.108 -9.936 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.272 -9.217 0.631 1.00 0.00 H new ATOM 0 HG SER A 103 8.095 -10.541 0.074 1.00 0.00 H new ATOM 1235 N SER A 104 3.046 -10.030 -0.868 1.00 0.00 N ATOM 1236 CA SER A 104 1.937 -9.163 -1.238 1.00 0.00 C ATOM 1237 C SER A 104 0.608 -9.732 -0.742 1.00 0.00 C ATOM 1238 O SER A 104 0.303 -10.910 -0.960 1.00 0.00 O ATOM 1239 CB SER A 104 1.903 -8.983 -2.757 1.00 0.00 C ATOM 1240 OG SER A 104 1.760 -10.235 -3.410 1.00 0.00 O ATOM 0 H SER A 104 3.288 -10.729 -1.570 1.00 0.00 H new ATOM 0 HA SER A 104 2.085 -8.192 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.076 -8.328 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.819 -8.496 -3.091 1.00 0.00 H new ATOM 0 HG SER A 104 2.630 -10.685 -3.448 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.176 -8.895 -0.081 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.478 -9.296 0.423 1.00 0.00 C ATOM 1248 C ILE A 105 -2.590 -8.512 -0.270 1.00 0.00 C ATOM 1249 O ILE A 105 -2.392 -7.371 -0.694 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.597 -9.094 1.956 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.304 -7.635 2.333 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.663 -10.047 2.697 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.475 -7.328 3.807 1.00 0.00 C ATOM 0 H ILE A 105 0.071 -7.926 0.120 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.584 -10.359 0.206 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.620 -9.322 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.282 -7.394 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.963 -6.984 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.761 -9.890 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.927 -11.077 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.367 -9.856 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.249 -6.277 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.503 -7.535 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.796 -7.951 4.390 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.749 -9.134 -0.391 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.929 -8.474 -0.931 1.00 0.00 C ATOM 1267 C ILE A 106 -5.940 -8.291 0.188 1.00 0.00 C ATOM 1268 O ILE A 106 -6.434 -9.263 0.755 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.562 -9.275 -2.099 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.708 -9.135 -3.360 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.989 -8.812 -2.371 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.213 -9.946 -4.536 1.00 0.00 C ATOM 0 H ILE A 106 -3.901 -10.106 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.629 -7.507 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.597 -10.326 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.669 -8.084 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.687 -9.441 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.408 -9.390 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.596 -8.960 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.984 -7.755 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.555 -9.794 -5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.225 -11.003 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.222 -9.625 -4.793 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.221 -7.050 0.533 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.076 -6.778 1.675 1.00 0.00 C ATOM 1286 C CYS A 107 -8.493 -6.443 1.224 1.00 0.00 C ATOM 1287 O CYS A 107 -8.705 -5.982 0.104 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.497 -5.644 2.524 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.047 -5.682 4.261 1.00 0.00 S ATOM 0 H CYS A 107 -5.876 -6.222 0.047 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.120 -7.678 2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.409 -5.698 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.781 -4.689 2.082 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.459 -6.691 2.098 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.859 -6.460 1.786 1.00 0.00 C ATOM 1296 C TYR A 108 -11.489 -5.516 2.800 1.00 0.00 C ATOM 1297 O TYR A 108 -11.019 -5.406 3.935 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.626 -7.782 1.758 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.280 -8.657 0.575 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.926 -8.484 -0.643 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.318 -9.655 0.674 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.622 -9.278 -1.727 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.009 -10.452 -0.409 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.665 -10.262 -1.608 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.364 -11.058 -2.690 1.00 0.00 O ATOM 0 H TYR A 108 -9.294 -7.055 3.036 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.914 -5.999 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.421 -8.331 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.695 -7.572 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.678 -7.715 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.805 -9.809 1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.132 -9.130 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.257 -11.222 -0.319 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.668 -11.701 -2.440 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.560 -4.850 2.392 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.224 -3.904 3.260 1.00 0.00 C ATOM 1317 C GLY A 109 -13.332 -2.537 2.625 1.00 0.00 C ATOM 1318 O GLY A 109 -13.423 -2.420 1.402 1.00 0.00 O ATOM 0 H GLY A 109 -12.982 -4.950 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.221 -4.272 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.676 -3.826 4.199 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.309 -1.504 3.451 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.407 -0.134 2.969 1.00 0.00 C ATOM 1324 C GLN A 110 -12.020 0.412 2.655 1.00 0.00 C ATOM 1325 O GLN A 110 -11.044 0.048 3.311 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.104 0.744 4.013 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.552 0.352 4.278 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.240 1.290 5.250 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.821 2.298 4.852 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.186 0.961 6.530 1.00 0.00 N ATOM 0 H GLN A 110 -13.223 -1.588 4.464 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.000 -0.123 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.546 0.692 4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.073 1.782 3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.101 0.344 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.583 -0.663 4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.694 0.116 6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.637 1.552 7.228 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.942 1.276 1.644 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.677 1.850 1.189 1.00 0.00 C ATOM 1341 C LEU A 111 -9.903 2.488 2.339 1.00 0.00 C ATOM 1342 O LEU A 111 -10.329 3.493 2.908 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.942 2.892 0.096 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.713 3.674 -0.392 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.721 2.760 -1.103 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.138 4.816 -1.306 1.00 0.00 C ATOM 0 H LEU A 111 -12.754 1.598 1.117 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.068 1.041 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.392 2.388 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.678 3.604 0.470 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.213 4.093 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.863 3.344 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.387 1.982 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.204 2.300 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.256 5.360 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.668 4.413 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.795 5.493 -0.761 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.771 1.888 2.682 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.931 2.427 3.731 1.00 0.00 C ATOM 1360 C GLY A 112 -8.059 1.661 5.031 1.00 0.00 C ATOM 1361 O GLY A 112 -7.304 1.895 5.975 1.00 0.00 O ATOM 0 H GLY A 112 -8.419 1.034 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.891 2.409 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.194 3.471 3.901 1.00 0.00 H new ATOM 1365 N SER A 113 -9.016 0.746 5.082 1.00 0.00 N ATOM 1366 CA SER A 113 -9.250 -0.045 6.274 1.00 0.00 C ATOM 1367 C SER A 113 -8.720 -1.462 6.081 1.00 0.00 C ATOM 1368 O SER A 113 -9.304 -2.264 5.347 1.00 0.00 O ATOM 1369 CB SER A 113 -10.746 -0.079 6.594 1.00 0.00 C ATOM 1370 OG SER A 113 -10.997 -0.682 7.853 1.00 0.00 O ATOM 0 H SER A 113 -9.644 0.535 4.306 1.00 0.00 H new ATOM 0 HA SER A 113 -8.721 0.413 7.109 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.143 0.936 6.591 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.273 -0.630 5.815 1.00 0.00 H new ATOM 0 HG SER A 113 -11.212 -1.630 7.725 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.612 -1.764 6.737 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.036 -3.099 6.701 1.00 0.00 C ATOM 1378 C PHE A 114 -7.719 -3.970 7.746 1.00 0.00 C ATOM 1379 O PHE A 114 -7.096 -4.452 8.694 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.520 -3.045 6.945 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.751 -2.342 5.855 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.563 -0.968 5.889 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.215 -3.059 4.795 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.855 -0.325 4.891 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.505 -2.420 3.796 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.327 -1.052 3.845 1.00 0.00 C ATOM 0 H PHE A 114 -7.090 -1.097 7.305 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.197 -3.531 5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.332 -2.540 7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.141 -4.062 7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.975 -0.393 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.354 -4.129 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.716 0.745 4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.090 -2.990 2.978 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.774 -0.551 3.064 1.00 0.00 H new ATOM 1396 N SER A 115 -9.024 -4.133 7.579 1.00 0.00 N ATOM 1397 CA SER A 115 -9.830 -4.923 8.494 1.00 0.00 C ATOM 1398 C SER A 115 -9.529 -6.411 8.338 1.00 0.00 C ATOM 1399 O SER A 115 -9.174 -7.088 9.303 1.00 0.00 O ATOM 1400 CB SER A 115 -11.316 -4.660 8.238 1.00 0.00 C ATOM 1401 OG SER A 115 -11.613 -3.275 8.326 1.00 0.00 O ATOM 0 H SER A 115 -9.551 -3.722 6.808 1.00 0.00 H new ATOM 0 HA SER A 115 -9.582 -4.629 9.514 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.589 -5.031 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.916 -5.210 8.963 1.00 0.00 H new ATOM 0 HG SER A 115 -12.568 -3.134 8.157 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.658 -6.907 7.118 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.416 -8.310 6.829 1.00 0.00 C ATOM 1409 C ASN A 116 -8.610 -8.440 5.549 1.00 0.00 C ATOM 1410 O ASN A 116 -9.134 -8.244 4.452 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.738 -9.073 6.692 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.525 -10.544 6.388 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -9.550 -11.149 6.833 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.431 -11.131 5.621 1.00 0.00 N ATOM 0 H ASN A 116 -9.931 -6.353 6.306 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.854 -8.741 7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.309 -8.974 7.615 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.334 -8.623 5.898 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.334 -12.117 5.381 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.226 -10.597 5.271 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.330 -8.741 5.687 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.461 -8.883 4.534 1.00 0.00 C ATOM 1423 C CYS A 117 -6.136 -10.354 4.298 1.00 0.00 C ATOM 1424 O CYS A 117 -6.004 -11.127 5.250 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.172 -8.084 4.739 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.423 -6.354 5.287 1.00 0.00 S ATOM 0 H CYS A 117 -6.871 -8.891 6.585 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.978 -8.493 3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.555 -8.598 5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.612 -8.077 3.804 1.00 0.00 H new ATOM 1431 N SER A 118 -6.021 -10.740 3.035 1.00 0.00 N ATOM 1432 CA SER A 118 -5.751 -12.121 2.679 1.00 0.00 C ATOM 1433 C SER A 118 -4.416 -12.244 1.953 1.00 0.00 C ATOM 1434 O SER A 118 -4.066 -11.400 1.126 1.00 0.00 O ATOM 1435 CB SER A 118 -6.859 -12.649 1.763 1.00 0.00 C ATOM 1436 OG SER A 118 -8.148 -12.433 2.314 1.00 0.00 O ATOM 0 H SER A 118 -6.111 -10.110 2.238 1.00 0.00 H new ATOM 0 HA SER A 118 -5.713 -12.705 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.792 -12.158 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.711 -13.715 1.592 1.00 0.00 H new ATOM 0 HG SER A 118 -8.828 -12.781 1.701 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.668 -13.290 2.272 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.499 -13.645 1.484 1.00 0.00 C ATOM 1444 C HIS A 119 -2.967 -14.110 0.114 1.00 0.00 C ATOM 1445 O HIS A 119 -3.775 -15.034 0.014 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.673 -14.736 2.174 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.879 -14.243 3.349 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.386 -14.175 4.630 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.398 -13.794 3.431 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.462 -13.706 5.447 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.631 -13.468 4.745 1.00 0.00 N ATOM 0 H HIS A 119 -3.849 -13.904 3.066 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.853 -12.773 1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.342 -15.529 2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -0.992 -15.178 1.447 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.331 -14.446 4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.101 -13.709 2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.579 -13.544 6.508 1.00 0.00 H new ATOM 1459 N SER A 120 -2.474 -13.445 -0.926 1.00 0.00 N ATOM 1460 CA SER A 120 -2.985 -13.619 -2.282 1.00 0.00 C ATOM 1461 C SER A 120 -3.071 -15.091 -2.687 1.00 0.00 C ATOM 1462 O SER A 120 -2.055 -15.772 -2.815 1.00 0.00 O ATOM 1463 CB SER A 120 -2.102 -12.855 -3.276 1.00 0.00 C ATOM 1464 OG SER A 120 -2.622 -12.936 -4.591 1.00 0.00 O ATOM 0 H SER A 120 -1.711 -12.772 -0.853 1.00 0.00 H new ATOM 0 HA SER A 120 -3.998 -13.217 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.030 -11.810 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.091 -13.262 -3.256 1.00 0.00 H new ATOM 0 HG SER A 120 -2.128 -13.614 -5.097 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.297 -15.572 -2.884 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.527 -16.919 -3.394 1.00 0.00 C ATOM 1472 C ARG A 121 -4.527 -16.892 -4.918 1.00 0.00 C ATOM 1473 O ARG A 121 -5.196 -17.690 -5.577 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.858 -17.466 -2.878 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.914 -17.636 -1.370 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.915 -18.672 -0.883 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.170 -19.998 -1.443 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.410 -21.059 -1.200 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.372 -20.958 -0.380 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -4.692 -22.223 -1.755 1.00 0.00 N ATOM 0 H ARG A 121 -5.150 -15.044 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.728 -17.573 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.659 -16.795 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.050 -18.430 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.710 -16.680 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.920 -17.934 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.907 -18.355 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.953 -18.726 0.205 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.978 -20.115 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.158 -20.065 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.788 -21.773 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.498 -22.311 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.104 -23.035 -1.564 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.784 -15.944 -5.463 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.670 -15.761 -6.899 1.00 0.00 C ATOM 1495 C ASN A 122 -2.199 -15.622 -7.252 1.00 0.00 C ATOM 1496 O ASN A 122 -1.451 -14.940 -6.549 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.447 -14.516 -7.337 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.403 -14.280 -8.835 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.284 -15.213 -9.628 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.508 -13.021 -9.232 1.00 0.00 N ATOM 0 H ASN A 122 -3.240 -15.276 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.093 -16.621 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.486 -14.614 -7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.040 -13.643 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.492 -12.797 -10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.605 -12.275 -8.543 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.786 -16.289 -8.320 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.372 -16.370 -8.680 1.00 0.00 C ATOM 1509 C ASP A 123 0.158 -15.039 -9.197 1.00 0.00 C ATOM 1510 O ASP A 123 1.348 -14.749 -9.077 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.151 -17.464 -9.725 1.00 0.00 C ATOM 1512 CG ASP A 123 1.313 -17.676 -10.047 1.00 0.00 C ATOM 1513 OD1 ASP A 123 2.091 -17.976 -9.121 1.00 0.00 O ATOM 1514 OD2 ASP A 123 1.691 -17.550 -11.230 1.00 0.00 O ATOM 0 H ASP A 123 -2.410 -16.785 -8.956 1.00 0.00 H new ATOM 0 HA ASP A 123 0.182 -16.619 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -0.578 -18.399 -9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -0.686 -17.202 -10.638 1.00 0.00 H new ATOM 1519 N MET A 124 -0.718 -14.229 -9.767 1.00 0.00 N ATOM 1520 CA MET A 124 -0.312 -12.922 -10.262 1.00 0.00 C ATOM 1521 C MET A 124 -0.775 -11.823 -9.313 1.00 0.00 C ATOM 1522 O MET A 124 -1.786 -11.967 -8.627 1.00 0.00 O ATOM 1523 CB MET A 124 -0.840 -12.668 -11.682 1.00 0.00 C ATOM 1524 CG MET A 124 -2.351 -12.527 -11.778 1.00 0.00 C ATOM 1525 SD MET A 124 -2.898 -12.049 -13.430 1.00 0.00 S ATOM 1526 CE MET A 124 -4.674 -11.970 -13.196 1.00 0.00 C ATOM 0 H MET A 124 -1.705 -14.449 -9.898 1.00 0.00 H new ATOM 0 HA MET A 124 0.777 -12.908 -10.307 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.378 -11.761 -12.071 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.523 -13.488 -12.326 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.819 -13.472 -11.503 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.690 -11.783 -11.057 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.152 -11.686 -14.133 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.043 -12.946 -12.882 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.908 -11.230 -12.430 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.023 -10.733 -9.274 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.329 -9.612 -8.398 1.00 0.00 C ATOM 1538 C CYS A 125 0.421 -8.370 -8.856 1.00 0.00 C ATOM 1539 O CYS A 125 1.516 -8.466 -9.418 1.00 0.00 O ATOM 1540 CB CYS A 125 0.036 -9.952 -6.946 1.00 0.00 C ATOM 1541 SG CYS A 125 0.135 -8.510 -5.826 1.00 0.00 S ATOM 0 H CYS A 125 0.812 -10.601 -9.845 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.399 -9.412 -8.447 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.704 -10.650 -6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.996 -10.468 -6.938 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.180 -7.211 -8.631 1.00 0.00 N ATOM 1547 CA HIS A 126 0.435 -5.945 -8.995 1.00 0.00 C ATOM 1548 C HIS A 126 0.868 -5.203 -7.739 1.00 0.00 C ATOM 1549 O HIS A 126 0.094 -5.081 -6.786 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.531 -5.086 -9.815 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.859 -5.670 -11.155 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -2.095 -5.549 -11.753 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.098 -6.391 -12.014 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -2.083 -6.170 -12.917 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.883 -6.689 -13.100 1.00 0.00 N ATOM 0 H HIS A 126 -1.098 -7.122 -8.196 1.00 0.00 H new ATOM 0 HA HIS A 126 1.312 -6.148 -9.610 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.454 -4.951 -9.250 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -0.096 -4.097 -9.955 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.895 -5.056 -11.357 1.00 0.00 H new ATOM 0 HD2 HIS A 126 0.933 -6.678 -11.871 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.914 -6.242 -13.603 1.00 0.00 H new ATOM 1563 N SER A 127 2.104 -4.723 -7.739 1.00 0.00 N ATOM 1564 CA SER A 127 2.668 -4.063 -6.574 1.00 0.00 C ATOM 1565 C SER A 127 2.111 -2.651 -6.427 1.00 0.00 C ATOM 1566 O SER A 127 2.247 -1.821 -7.334 1.00 0.00 O ATOM 1567 CB SER A 127 4.193 -4.014 -6.691 1.00 0.00 C ATOM 1568 OG SER A 127 4.725 -5.293 -7.001 1.00 0.00 O ATOM 0 H SER A 127 2.736 -4.780 -8.537 1.00 0.00 H new ATOM 0 HA SER A 127 2.392 -4.634 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.478 -3.301 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.621 -3.656 -5.755 1.00 0.00 H new ATOM 0 HG SER A 127 4.835 -5.810 -6.176 1.00 0.00 H new ATOM 1574 N LEU A 128 1.475 -2.388 -5.292 1.00 0.00 N ATOM 1575 CA LEU A 128 0.925 -1.070 -5.022 1.00 0.00 C ATOM 1576 C LEU A 128 2.051 -0.084 -4.745 1.00 0.00 C ATOM 1577 O LEU A 128 2.684 -0.122 -3.686 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.036 -1.111 -3.834 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.896 0.142 -3.651 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.951 0.237 -4.744 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.553 0.143 -2.282 1.00 0.00 C ATOM 0 H LEU A 128 1.329 -3.069 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 128 0.369 -0.745 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.695 -1.971 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.542 -1.272 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.245 1.013 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.550 1.135 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.463 0.285 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.596 -0.641 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.160 1.041 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.187 -0.738 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.784 0.126 -1.509 1.00 0.00 H new ATOM 1593 N GLY A 129 2.299 0.781 -5.710 1.00 0.00 N ATOM 1594 CA GLY A 129 3.342 1.768 -5.587 1.00 0.00 C ATOM 1595 C GLY A 129 2.802 3.098 -5.128 1.00 0.00 C ATOM 1596 O GLY A 129 1.875 3.641 -5.732 1.00 0.00 O ATOM 0 H GLY A 129 1.786 0.816 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.093 1.417 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.842 1.891 -6.548 1.00 0.00 H new ATOM 1600 N LEU A 130 3.362 3.613 -4.053 1.00 0.00 N ATOM 1601 CA LEU A 130 2.987 4.920 -3.554 1.00 0.00 C ATOM 1602 C LEU A 130 4.165 5.872 -3.704 1.00 0.00 C ATOM 1603 O LEU A 130 5.289 5.542 -3.324 1.00 0.00 O ATOM 1604 CB LEU A 130 2.557 4.830 -2.088 1.00 0.00 C ATOM 1605 CG LEU A 130 2.080 6.145 -1.462 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.842 6.667 -2.174 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.799 5.952 0.018 1.00 0.00 C ATOM 0 H LEU A 130 4.083 3.143 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 130 2.143 5.297 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.755 4.096 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.396 4.452 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 130 2.873 6.885 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.523 7.601 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.073 6.843 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.041 5.932 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.461 6.894 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.025 5.196 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.709 5.628 0.522 1.00 0.00 H new ATOM 1619 N THR A 131 3.918 7.033 -4.283 1.00 0.00 N ATOM 1620 CA THR A 131 4.966 8.021 -4.479 1.00 0.00 C ATOM 1621 C THR A 131 4.617 9.326 -3.772 1.00 0.00 C ATOM 1622 O THR A 131 3.735 10.060 -4.216 1.00 0.00 O ATOM 1623 CB THR A 131 5.187 8.301 -5.980 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.378 7.063 -6.678 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.396 9.203 -6.203 1.00 0.00 C ATOM 0 H THR A 131 3.000 7.316 -4.626 1.00 0.00 H new ATOM 0 HA THR A 131 5.883 7.614 -4.053 1.00 0.00 H new ATOM 0 HB THR A 131 4.304 8.812 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.516 7.243 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.525 9.381 -7.271 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.240 10.153 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.289 8.720 -5.806 1.00 0.00 H new ATOM 1633 N CYS A 132 5.299 9.599 -2.671 1.00 0.00 N ATOM 1634 CA CYS A 132 5.124 10.853 -1.952 1.00 0.00 C ATOM 1635 C CYS A 132 6.196 11.834 -2.406 1.00 0.00 C ATOM 1636 O CYS A 132 7.209 11.418 -2.969 1.00 0.00 O ATOM 1637 CB CYS A 132 5.224 10.618 -0.437 1.00 0.00 C ATOM 1638 SG CYS A 132 4.188 9.247 0.171 1.00 0.00 S ATOM 0 H CYS A 132 5.982 8.967 -2.254 1.00 0.00 H new ATOM 0 HA CYS A 132 4.137 11.263 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.264 10.416 -0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.939 11.533 0.082 1.00 0.00 H new ATOM 1643 N LEU A 133 5.959 13.126 -2.204 1.00 0.00 N ATOM 1644 CA LEU A 133 6.962 14.140 -2.511 1.00 0.00 C ATOM 1645 C LEU A 133 8.193 13.964 -1.628 1.00 0.00 C ATOM 1646 O LEU A 133 8.276 14.523 -0.529 1.00 0.00 O ATOM 1647 CB LEU A 133 6.386 15.549 -2.343 1.00 0.00 C ATOM 1648 CG LEU A 133 5.580 16.082 -3.529 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.877 17.375 -3.150 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.485 16.315 -4.731 1.00 0.00 C ATOM 0 H LEU A 133 5.085 13.495 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 133 7.259 14.013 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.747 15.557 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.209 16.237 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 133 4.831 15.337 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.307 17.743 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.201 17.190 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.618 18.120 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.893 16.694 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.254 17.043 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.957 15.375 -5.019 1.00 0.00 H new ATOM 1662 N GLU A 134 9.126 13.162 -2.116 1.00 0.00 N ATOM 1663 CA GLU A 134 10.375 12.896 -1.422 1.00 0.00 C ATOM 1664 C GLU A 134 11.362 14.027 -1.678 1.00 0.00 C ATOM 1665 O GLU A 134 11.906 14.098 -2.800 1.00 0.00 O ATOM 1666 CB GLU A 134 10.958 11.556 -1.890 1.00 0.00 C ATOM 1667 CG GLU A 134 12.244 11.156 -1.184 1.00 0.00 C ATOM 1668 CD GLU A 134 12.056 10.902 0.296 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.164 11.862 1.085 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.814 9.736 0.676 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.579 14.846 -0.761 1.00 0.00 O ATOM 0 H GLU A 134 9.037 12.676 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 134 10.185 12.837 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.214 10.775 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.147 11.609 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.644 10.257 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.986 11.943 -1.320 1.00 0.00 H new