USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 815 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 42 CYS SG : rot 22:sc= -0.294 USER MOD Set 1.2: A 44 SER OG : rot 115:sc= 0.822 USER MOD Set 1.3: A 58 HIS : no HD1:sc= 1.26 K(o=1.8,f=-6.8!) USER MOD Set 2.1: A 24 ASN : amide:sc= 1.78 K(o=2.3,f=-3.9) USER MOD Set 2.2: A 28 THR OG1 : rot 64:sc= 0.953 USER MOD Set 2.3: A 46 SER OG : rot 146:sc= -1.14! USER MOD Set 2.4: A 100 ASN : amide:sc= 0.733 K(o=2.3,f=0.67) USER MOD Single : A 6 TYR OH : rot 0:sc= -0.787 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00251 USER MOD Single : A 15 SER OG : rot -140:sc= -0.67 USER MOD Single : A 21 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.8) USER MOD Single : A 34 SER OG : rot 80:sc= 0.59 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.8!) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.0595 (180deg=-0.339) USER MOD Single : A 55 ASN : amide:sc= 1.09 K(o=1.1,f=-1.8) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0283 (180deg=-0.214) USER MOD Single : A 59 TYR OH : rot -123:sc= 0.706 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 30:sc= 1.37 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -29:sc= 0.144 USER MOD Single : A 75 THR OG1 : rot -169:sc= 0.00137 USER MOD Single : A 76 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00432 K(o=-0.0043,f=-0.77) USER MOD Single : A 82 GLN : amide:sc= -0.911 K(o=-0.91,f=-0.16) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -116:sc= 1.18 USER MOD Single : A 88 SER OG : rot 58:sc= 1.2 USER MOD Single : A 89 LYS NZ :NH3+ 168:sc= -0.0115 (180deg=-0.159) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot -26:sc= 0.0116 USER MOD Single : A 96 HIS : no HD1:sc= -0.36 K(o=-0.36,f=-1.7) USER MOD Single : A 99 THR OG1 : rot 47:sc= 0.362 USER MOD Single : A 102 CYS SG : rot -51:sc= -0.655 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0305 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 4.843 -3.053 -11.605 1.00 0.00 N ATOM 31 CA GLU A 3 4.854 -1.712 -12.161 1.00 0.00 C ATOM 32 C GLU A 3 5.300 -0.698 -11.111 1.00 0.00 C ATOM 33 O GLU A 3 5.872 -1.071 -10.088 1.00 0.00 O ATOM 34 CB GLU A 3 3.451 -1.371 -12.677 1.00 0.00 C ATOM 35 CG GLU A 3 2.698 -2.565 -13.262 1.00 0.00 C ATOM 36 CD GLU A 3 3.398 -3.222 -14.443 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.201 -2.764 -15.585 1.00 0.00 O ATOM 38 OE2 GLU A 3 4.119 -4.224 -14.241 1.00 0.00 O ATOM 0 HA GLU A 3 5.563 -1.670 -12.987 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.866 -0.951 -11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.534 -0.597 -13.440 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.554 -3.309 -12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.707 -2.237 -13.577 1.00 0.00 H new ATOM 45 N GLU A 4 5.034 0.579 -11.364 1.00 0.00 N ATOM 46 CA GLU A 4 5.431 1.644 -10.448 1.00 0.00 C ATOM 47 C GLU A 4 4.848 1.415 -9.055 1.00 0.00 C ATOM 48 O GLU A 4 5.521 1.624 -8.049 1.00 0.00 O ATOM 49 CB GLU A 4 4.975 3.002 -10.984 1.00 0.00 C ATOM 50 CG GLU A 4 5.555 3.345 -12.345 1.00 0.00 C ATOM 51 CD GLU A 4 4.974 4.622 -12.912 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.749 4.669 -13.140 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.739 5.584 -13.140 1.00 0.00 O ATOM 0 H GLU A 4 4.544 0.903 -12.198 1.00 0.00 H new ATOM 0 HA GLU A 4 6.518 1.634 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.887 3.010 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.258 3.778 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.637 3.447 -12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.365 2.524 -13.036 1.00 0.00 H new ATOM 60 N TRP A 5 3.595 0.976 -9.012 1.00 0.00 N ATOM 61 CA TRP A 5 2.900 0.752 -7.750 1.00 0.00 C ATOM 62 C TRP A 5 3.212 -0.626 -7.162 1.00 0.00 C ATOM 63 O TRP A 5 3.423 -0.761 -5.956 1.00 0.00 O ATOM 64 CB TRP A 5 1.382 0.931 -7.929 1.00 0.00 C ATOM 65 CG TRP A 5 0.841 0.418 -9.237 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.858 1.073 -10.435 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.183 -0.836 -9.478 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.270 0.302 -11.405 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.153 -0.873 -10.843 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.144 -1.935 -8.678 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.805 -1.961 -11.422 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.793 -3.011 -9.253 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.112 -3.018 -10.615 1.00 0.00 C ATOM 0 H TRP A 5 3.038 0.767 -9.841 1.00 0.00 H new ATOM 0 HA TRP A 5 3.262 1.498 -7.043 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.870 0.420 -7.114 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.141 1.991 -7.842 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.274 2.056 -10.596 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.165 0.562 -12.386 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.107 -1.943 -7.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.058 -1.967 -12.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.058 -3.860 -8.641 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.612 -3.878 -11.037 1.00 0.00 H new ATOM 84 N TYR A 6 3.248 -1.635 -8.021 1.00 0.00 N ATOM 85 CA TYR A 6 3.421 -3.022 -7.592 1.00 0.00 C ATOM 86 C TYR A 6 4.906 -3.357 -7.433 1.00 0.00 C ATOM 87 O TYR A 6 5.611 -3.562 -8.418 1.00 0.00 O ATOM 88 CB TYR A 6 2.768 -3.948 -8.627 1.00 0.00 C ATOM 89 CG TYR A 6 2.501 -5.367 -8.155 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.536 -6.209 -7.779 1.00 0.00 C ATOM 91 CD2 TYR A 6 1.207 -5.870 -8.119 1.00 0.00 C ATOM 92 CE1 TYR A 6 3.294 -7.509 -7.379 1.00 0.00 C ATOM 93 CE2 TYR A 6 0.954 -7.168 -7.714 1.00 0.00 C ATOM 94 CZ TYR A 6 2.002 -7.983 -7.348 1.00 0.00 C ATOM 95 OH TYR A 6 1.760 -9.281 -6.954 1.00 0.00 O ATOM 0 H TYR A 6 3.159 -1.520 -9.031 1.00 0.00 H new ATOM 0 HA TYR A 6 2.943 -3.164 -6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.824 -3.504 -8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.409 -3.991 -9.507 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.551 -5.842 -7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.383 -5.236 -8.413 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.114 -8.150 -7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.059 -7.540 -7.685 1.00 0.00 H new ATOM 0 HH TYR A 6 2.608 -9.720 -6.735 1.00 0.00 H new ATOM 105 N PHE A 7 5.372 -3.427 -6.190 1.00 0.00 N ATOM 106 CA PHE A 7 6.786 -3.689 -5.913 1.00 0.00 C ATOM 107 C PHE A 7 7.062 -5.171 -5.671 1.00 0.00 C ATOM 108 O PHE A 7 8.211 -5.577 -5.471 1.00 0.00 O ATOM 109 CB PHE A 7 7.261 -2.856 -4.722 1.00 0.00 C ATOM 110 CG PHE A 7 7.773 -1.505 -5.128 1.00 0.00 C ATOM 111 CD1 PHE A 7 9.091 -1.349 -5.527 1.00 0.00 C ATOM 112 CD2 PHE A 7 6.941 -0.399 -5.124 1.00 0.00 C ATOM 113 CE1 PHE A 7 9.571 -0.115 -5.912 1.00 0.00 C ATOM 114 CE2 PHE A 7 7.415 0.839 -5.510 1.00 0.00 C ATOM 115 CZ PHE A 7 8.732 0.980 -5.904 1.00 0.00 C ATOM 0 H PHE A 7 4.795 -3.307 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 7 7.348 -3.396 -6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.437 -2.732 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.049 -3.396 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.750 -2.204 -5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.911 -0.505 -4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.601 -0.006 -6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.758 1.696 -5.504 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.105 1.948 -6.206 1.00 0.00 H new ATOM 125 N GLY A 8 6.009 -5.973 -5.690 1.00 0.00 N ATOM 126 CA GLY A 8 6.167 -7.407 -5.554 1.00 0.00 C ATOM 127 C GLY A 8 6.378 -7.840 -4.120 1.00 0.00 C ATOM 128 O GLY A 8 6.190 -7.052 -3.194 1.00 0.00 O ATOM 0 H GLY A 8 5.045 -5.656 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.283 -7.905 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.015 -7.733 -6.156 1.00 0.00 H new ATOM 132 N LYS A 9 6.747 -9.098 -3.936 1.00 0.00 N ATOM 133 CA LYS A 9 6.993 -9.645 -2.609 1.00 0.00 C ATOM 134 C LYS A 9 8.224 -9.001 -1.971 1.00 0.00 C ATOM 135 O LYS A 9 9.362 -9.347 -2.282 1.00 0.00 O ATOM 136 CB LYS A 9 7.163 -11.170 -2.678 1.00 0.00 C ATOM 137 CG LYS A 9 8.232 -11.633 -3.661 1.00 0.00 C ATOM 138 CD LYS A 9 8.532 -13.113 -3.505 1.00 0.00 C ATOM 139 CE LYS A 9 9.720 -13.531 -4.360 1.00 0.00 C ATOM 140 NZ LYS A 9 10.086 -14.953 -4.144 1.00 0.00 N ATOM 0 H LYS A 9 6.884 -9.765 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 9 6.128 -9.418 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.413 -11.542 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.210 -11.619 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.901 -11.434 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.145 -11.058 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.739 -13.336 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.655 -13.696 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.483 -13.373 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.575 -12.897 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.899 -15.197 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.337 -15.099 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.279 -15.561 -4.390 1.00 0.00 H new ATOM 154 N ILE A 10 7.987 -8.027 -1.114 1.00 0.00 N ATOM 155 CA ILE A 10 9.054 -7.434 -0.320 1.00 0.00 C ATOM 156 C ILE A 10 8.684 -7.497 1.156 1.00 0.00 C ATOM 157 O ILE A 10 7.518 -7.322 1.522 1.00 0.00 O ATOM 158 CB ILE A 10 9.360 -5.967 -0.719 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.133 -5.075 -0.545 1.00 0.00 C ATOM 160 CG2 ILE A 10 9.863 -5.892 -2.154 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.392 -3.619 -0.865 1.00 0.00 C ATOM 0 H ILE A 10 7.064 -7.626 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 10 9.958 -8.012 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 10 10.142 -5.603 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.333 -5.443 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.779 -5.155 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.071 -4.854 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.775 -6.480 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.103 -6.288 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.476 -3.046 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.170 -3.234 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.717 -3.526 -1.901 1.00 0.00 H new ATOM 173 N THR A 11 9.671 -7.765 1.994 1.00 0.00 N ATOM 174 CA THR A 11 9.443 -7.926 3.418 1.00 0.00 C ATOM 175 C THR A 11 9.174 -6.584 4.090 1.00 0.00 C ATOM 176 O THR A 11 9.638 -5.541 3.618 1.00 0.00 O ATOM 177 CB THR A 11 10.644 -8.618 4.088 1.00 0.00 C ATOM 178 OG1 THR A 11 11.863 -7.997 3.662 1.00 0.00 O ATOM 179 CG2 THR A 11 10.674 -10.096 3.736 1.00 0.00 C ATOM 0 H THR A 11 10.644 -7.876 1.709 1.00 0.00 H new ATOM 0 HA THR A 11 8.561 -8.554 3.540 1.00 0.00 H new ATOM 0 HB THR A 11 10.543 -8.517 5.169 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.624 -8.440 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.530 -10.568 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.756 -10.571 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.758 -10.211 2.655 1.00 0.00 H new ATOM 187 N ARG A 12 8.422 -6.613 5.189 1.00 0.00 N ATOM 188 CA ARG A 12 8.026 -5.389 5.875 1.00 0.00 C ATOM 189 C ARG A 12 9.244 -4.607 6.342 1.00 0.00 C ATOM 190 O ARG A 12 9.235 -3.379 6.315 1.00 0.00 O ATOM 191 CB ARG A 12 7.106 -5.682 7.069 1.00 0.00 C ATOM 192 CG ARG A 12 7.788 -6.397 8.224 1.00 0.00 C ATOM 193 CD ARG A 12 6.940 -6.347 9.482 1.00 0.00 C ATOM 194 NE ARG A 12 6.666 -4.970 9.900 1.00 0.00 N ATOM 195 CZ ARG A 12 5.681 -4.626 10.733 1.00 0.00 C ATOM 196 NH1 ARG A 12 4.929 -5.554 11.310 1.00 0.00 N ATOM 197 NH2 ARG A 12 5.464 -3.347 11.014 1.00 0.00 N ATOM 0 H ARG A 12 8.076 -7.470 5.621 1.00 0.00 H new ATOM 0 HA ARG A 12 7.472 -4.785 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.692 -4.742 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.267 -6.288 6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.977 -7.435 7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.757 -5.937 8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.999 -6.868 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.452 -6.876 10.286 1.00 0.00 H new ATOM 0 HE ARG A 12 7.264 -4.230 9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.101 -6.541 11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.179 -5.280 11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.050 -2.626 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.711 -3.085 11.651 1.00 0.00 H new ATOM 211 N ARG A 13 10.296 -5.324 6.742 1.00 0.00 N ATOM 212 CA ARG A 13 11.510 -4.689 7.224 1.00 0.00 C ATOM 213 C ARG A 13 12.053 -3.704 6.201 1.00 0.00 C ATOM 214 O ARG A 13 12.450 -2.603 6.551 1.00 0.00 O ATOM 215 CB ARG A 13 12.580 -5.728 7.571 1.00 0.00 C ATOM 216 CG ARG A 13 12.905 -6.708 6.455 1.00 0.00 C ATOM 217 CD ARG A 13 14.246 -7.384 6.682 1.00 0.00 C ATOM 218 NE ARG A 13 15.363 -6.486 6.382 1.00 0.00 N ATOM 219 CZ ARG A 13 16.617 -6.673 6.790 1.00 0.00 C ATOM 220 NH1 ARG A 13 16.917 -7.679 7.606 1.00 0.00 N ATOM 221 NH2 ARG A 13 17.565 -5.832 6.394 1.00 0.00 N ATOM 0 H ARG A 13 10.325 -6.344 6.739 1.00 0.00 H new ATOM 0 HA ARG A 13 11.253 -4.143 8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.494 -5.206 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.250 -6.291 8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.121 -7.463 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.918 -6.183 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.315 -7.717 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.316 -8.273 6.056 1.00 0.00 H new ATOM 0 HE ARG A 13 15.167 -5.658 5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.185 -8.314 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.880 -7.816 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.330 -5.050 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.528 -5.968 6.702 1.00 0.00 H new ATOM 235 N GLU A 14 12.025 -4.095 4.937 1.00 0.00 N ATOM 236 CA GLU A 14 12.546 -3.257 3.867 1.00 0.00 C ATOM 237 C GLU A 14 11.508 -2.225 3.456 1.00 0.00 C ATOM 238 O GLU A 14 11.804 -1.037 3.347 1.00 0.00 O ATOM 239 CB GLU A 14 12.917 -4.112 2.655 1.00 0.00 C ATOM 240 CG GLU A 14 13.801 -5.299 2.988 1.00 0.00 C ATOM 241 CD GLU A 14 15.175 -4.903 3.496 1.00 0.00 C ATOM 242 OE1 GLU A 14 15.285 -4.463 4.658 1.00 0.00 O ATOM 243 OE2 GLU A 14 16.153 -5.065 2.741 1.00 0.00 O ATOM 0 H GLU A 14 11.646 -4.989 4.626 1.00 0.00 H new ATOM 0 HA GLU A 14 13.437 -2.748 4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.003 -4.473 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.427 -3.486 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.306 -5.911 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.915 -5.918 2.098 1.00 0.00 H new ATOM 250 N SER A 15 10.284 -2.699 3.255 1.00 0.00 N ATOM 251 CA SER A 15 9.198 -1.871 2.752 1.00 0.00 C ATOM 252 C SER A 15 8.924 -0.683 3.669 1.00 0.00 C ATOM 253 O SER A 15 8.843 0.458 3.217 1.00 0.00 O ATOM 254 CB SER A 15 7.929 -2.718 2.594 1.00 0.00 C ATOM 255 OG SER A 15 6.870 -1.966 2.028 1.00 0.00 O ATOM 0 H SER A 15 10.018 -3.667 3.436 1.00 0.00 H new ATOM 0 HA SER A 15 9.498 -1.477 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.142 -3.580 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.624 -3.103 3.567 1.00 0.00 H new ATOM 0 HG SER A 15 6.029 -2.200 2.473 1.00 0.00 H new ATOM 261 N GLU A 16 8.792 -0.947 4.959 1.00 0.00 N ATOM 262 CA GLU A 16 8.423 0.101 5.890 1.00 0.00 C ATOM 263 C GLU A 16 9.636 0.944 6.239 1.00 0.00 C ATOM 264 O GLU A 16 9.519 2.141 6.473 1.00 0.00 O ATOM 265 CB GLU A 16 7.762 -0.505 7.129 1.00 0.00 C ATOM 266 CG GLU A 16 8.689 -0.833 8.282 1.00 0.00 C ATOM 267 CD GLU A 16 8.048 -1.798 9.260 1.00 0.00 C ATOM 268 OE1 GLU A 16 6.909 -1.544 9.697 1.00 0.00 O ATOM 269 OE2 GLU A 16 8.667 -2.833 9.581 1.00 0.00 O ATOM 0 H GLU A 16 8.933 -1.866 5.379 1.00 0.00 H new ATOM 0 HA GLU A 16 7.693 0.763 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.001 0.189 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.247 -1.418 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.612 -1.266 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.961 0.085 8.802 1.00 0.00 H new ATOM 276 N ARG A 17 10.806 0.318 6.242 1.00 0.00 N ATOM 277 CA ARG A 17 12.062 1.041 6.441 1.00 0.00 C ATOM 278 C ARG A 17 12.215 2.116 5.369 1.00 0.00 C ATOM 279 O ARG A 17 12.717 3.207 5.635 1.00 0.00 O ATOM 280 CB ARG A 17 13.245 0.077 6.391 1.00 0.00 C ATOM 281 CG ARG A 17 14.553 0.657 6.899 1.00 0.00 C ATOM 282 CD ARG A 17 15.623 -0.418 7.006 1.00 0.00 C ATOM 283 NE ARG A 17 15.206 -1.517 7.880 1.00 0.00 N ATOM 284 CZ ARG A 17 16.029 -2.448 8.354 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.308 -2.454 8.007 1.00 0.00 N ATOM 286 NH2 ARG A 17 15.564 -3.382 9.173 1.00 0.00 N ATOM 0 H ARG A 17 10.915 -0.687 6.109 1.00 0.00 H new ATOM 0 HA ARG A 17 12.043 1.515 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.002 -0.807 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.384 -0.254 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.891 1.445 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.396 1.117 7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.846 -0.808 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.543 0.022 7.390 1.00 0.00 H new ATOM 0 HE ARG A 17 14.222 -1.572 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.668 -1.741 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.933 -3.171 8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.579 -3.384 9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.192 -4.098 9.539 1.00 0.00 H new ATOM 300 N LEU A 18 11.764 1.791 4.160 1.00 0.00 N ATOM 301 CA LEU A 18 11.741 2.739 3.054 1.00 0.00 C ATOM 302 C LEU A 18 10.869 3.941 3.385 1.00 0.00 C ATOM 303 O LEU A 18 11.247 5.086 3.148 1.00 0.00 O ATOM 304 CB LEU A 18 11.209 2.060 1.790 1.00 0.00 C ATOM 305 CG LEU A 18 12.175 1.084 1.128 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.484 0.310 0.014 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.371 1.840 0.587 1.00 0.00 C ATOM 0 H LEU A 18 11.406 0.866 3.922 1.00 0.00 H new ATOM 0 HA LEU A 18 12.761 3.082 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.292 1.527 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.942 2.830 1.067 1.00 0.00 H new ATOM 0 HG LEU A 18 12.515 0.365 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.193 -0.380 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.646 -0.252 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.118 1.007 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.060 1.140 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.037 2.572 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.878 2.352 1.405 1.00 0.00 H new ATOM 319 N LEU A 19 9.703 3.666 3.944 1.00 0.00 N ATOM 320 CA LEU A 19 8.748 4.711 4.267 1.00 0.00 C ATOM 321 C LEU A 19 9.197 5.494 5.506 1.00 0.00 C ATOM 322 O LEU A 19 8.797 6.641 5.704 1.00 0.00 O ATOM 323 CB LEU A 19 7.362 4.099 4.486 1.00 0.00 C ATOM 324 CG LEU A 19 6.871 3.166 3.370 1.00 0.00 C ATOM 325 CD1 LEU A 19 5.474 2.654 3.679 1.00 0.00 C ATOM 326 CD2 LEU A 19 6.885 3.868 2.020 1.00 0.00 C ATOM 0 H LEU A 19 9.394 2.724 4.184 1.00 0.00 H new ATOM 0 HA LEU A 19 8.696 5.409 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.373 3.542 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.641 4.908 4.604 1.00 0.00 H new ATOM 0 HG LEU A 19 7.554 2.318 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.143 1.994 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.488 2.103 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.788 3.497 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.532 3.182 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.232 4.740 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.901 4.185 1.785 1.00 0.00 H new ATOM 338 N LEU A 20 10.034 4.865 6.332 1.00 0.00 N ATOM 339 CA LEU A 20 10.625 5.526 7.494 1.00 0.00 C ATOM 340 C LEU A 20 11.719 6.510 7.080 1.00 0.00 C ATOM 341 O LEU A 20 12.246 7.250 7.912 1.00 0.00 O ATOM 342 CB LEU A 20 11.213 4.500 8.472 1.00 0.00 C ATOM 343 CG LEU A 20 10.325 4.112 9.660 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.855 5.350 10.409 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.138 3.276 9.219 1.00 0.00 C ATOM 0 H LEU A 20 10.319 3.892 6.216 1.00 0.00 H new ATOM 0 HA LEU A 20 9.824 6.076 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.455 3.595 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.152 4.895 8.860 1.00 0.00 H new ATOM 0 HG LEU A 20 10.928 3.505 10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.226 5.051 11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.719 5.900 10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.282 5.987 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.531 3.020 10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.536 3.845 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.493 2.363 8.742 1.00 0.00 H new ATOM 357 N ASN A 21 12.077 6.500 5.801 1.00 0.00 N ATOM 358 CA ASN A 21 13.060 7.442 5.280 1.00 0.00 C ATOM 359 C ASN A 21 12.394 8.782 5.018 1.00 0.00 C ATOM 360 O ASN A 21 11.461 8.860 4.218 1.00 0.00 O ATOM 361 CB ASN A 21 13.696 6.922 3.983 1.00 0.00 C ATOM 362 CG ASN A 21 14.556 5.690 4.188 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.151 5.498 5.248 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.634 4.848 3.171 1.00 0.00 N ATOM 0 H ASN A 21 11.703 5.852 5.108 1.00 0.00 H new ATOM 0 HA ASN A 21 13.848 7.558 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.907 6.691 3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.304 7.712 3.543 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.202 4.005 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.126 5.042 2.308 1.00 0.00 H new ATOM 371 N PRO A 22 12.860 9.855 5.682 1.00 0.00 N ATOM 372 CA PRO A 22 12.269 11.200 5.570 1.00 0.00 C ATOM 373 C PRO A 22 12.518 11.856 4.208 1.00 0.00 C ATOM 374 O PRO A 22 12.866 13.035 4.121 1.00 0.00 O ATOM 375 CB PRO A 22 12.961 12.001 6.687 1.00 0.00 C ATOM 376 CG PRO A 22 13.668 10.989 7.528 1.00 0.00 C ATOM 377 CD PRO A 22 13.993 9.846 6.613 1.00 0.00 C ATOM 0 HA PRO A 22 11.184 11.162 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.662 12.725 6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.234 12.561 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.574 11.409 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.038 10.660 8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.942 9.995 6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.067 8.902 7.153 1.00 0.00 H new ATOM 385 N GLU A 23 12.331 11.078 3.153 1.00 0.00 N ATOM 386 CA GLU A 23 12.478 11.558 1.790 1.00 0.00 C ATOM 387 C GLU A 23 11.139 11.499 1.072 1.00 0.00 C ATOM 388 O GLU A 23 11.026 11.867 -0.098 1.00 0.00 O ATOM 389 CB GLU A 23 13.502 10.705 1.038 1.00 0.00 C ATOM 390 CG GLU A 23 14.892 10.750 1.645 1.00 0.00 C ATOM 391 CD GLU A 23 15.449 12.155 1.686 1.00 0.00 C ATOM 392 OE1 GLU A 23 15.606 12.765 0.612 1.00 0.00 O ATOM 393 OE2 GLU A 23 15.714 12.665 2.788 1.00 0.00 O ATOM 0 H GLU A 23 12.072 10.094 3.219 1.00 0.00 H new ATOM 0 HA GLU A 23 12.826 12.590 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.157 9.671 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.555 11.044 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.859 10.344 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.561 10.112 1.067 1.00 0.00 H new ATOM 400 N ASN A 24 10.125 11.031 1.786 1.00 0.00 N ATOM 401 CA ASN A 24 8.807 10.842 1.203 1.00 0.00 C ATOM 402 C ASN A 24 7.766 11.632 1.990 1.00 0.00 C ATOM 403 O ASN A 24 7.891 11.802 3.204 1.00 0.00 O ATOM 404 CB ASN A 24 8.435 9.351 1.184 1.00 0.00 C ATOM 405 CG ASN A 24 7.993 8.828 2.542 1.00 0.00 C ATOM 406 OD1 ASN A 24 6.812 8.873 2.878 1.00 0.00 O ATOM 407 ND2 ASN A 24 8.926 8.312 3.326 1.00 0.00 N ATOM 0 H ASN A 24 10.191 10.775 2.771 1.00 0.00 H new ATOM 0 HA ASN A 24 8.827 11.208 0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.634 9.192 0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.293 8.773 0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.673 7.936 4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.898 8.290 3.016 1.00 0.00 H new ATOM 414 N PRO A 25 6.750 12.159 1.297 1.00 0.00 N ATOM 415 CA PRO A 25 5.648 12.877 1.927 1.00 0.00 C ATOM 416 C PRO A 25 4.516 11.945 2.360 1.00 0.00 C ATOM 417 O PRO A 25 4.510 10.755 2.032 1.00 0.00 O ATOM 418 CB PRO A 25 5.181 13.794 0.803 1.00 0.00 C ATOM 419 CG PRO A 25 5.419 13.011 -0.443 1.00 0.00 C ATOM 420 CD PRO A 25 6.607 12.120 -0.172 1.00 0.00 C ATOM 0 HA PRO A 25 5.948 13.392 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.128 14.053 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.740 14.730 0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.541 12.419 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.616 13.674 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.435 11.105 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.504 12.487 -0.671 1.00 0.00 H new ATOM 428 N ARG A 26 3.552 12.498 3.086 1.00 0.00 N ATOM 429 CA ARG A 26 2.389 11.735 3.512 1.00 0.00 C ATOM 430 C ARG A 26 1.583 11.297 2.298 1.00 0.00 C ATOM 431 O ARG A 26 1.210 12.119 1.461 1.00 0.00 O ATOM 432 CB ARG A 26 1.513 12.567 4.458 1.00 0.00 C ATOM 433 CG ARG A 26 0.157 11.940 4.737 1.00 0.00 C ATOM 434 CD ARG A 26 -0.678 12.798 5.675 1.00 0.00 C ATOM 435 NE ARG A 26 -0.225 12.706 7.060 1.00 0.00 N ATOM 436 CZ ARG A 26 -0.217 13.726 7.915 1.00 0.00 C ATOM 437 NH1 ARG A 26 -0.586 14.939 7.513 1.00 0.00 N ATOM 438 NH2 ARG A 26 0.165 13.525 9.170 1.00 0.00 N ATOM 0 H ARG A 26 3.554 13.471 3.391 1.00 0.00 H new ATOM 0 HA ARG A 26 2.731 10.851 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.041 12.706 5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.365 13.557 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.379 11.800 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.296 10.952 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.634 13.837 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.721 12.489 5.615 1.00 0.00 H new ATOM 0 HE ARG A 26 0.107 11.801 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.876 15.090 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.579 15.718 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.450 12.594 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.174 14.302 9.831 1.00 0.00 H new ATOM 452 N GLY A 27 1.333 10.002 2.200 1.00 0.00 N ATOM 453 CA GLY A 27 0.597 9.484 1.068 1.00 0.00 C ATOM 454 C GLY A 27 1.481 8.698 0.125 1.00 0.00 C ATOM 455 O GLY A 27 1.084 8.405 -1.006 1.00 0.00 O ATOM 0 H GLY A 27 1.625 9.302 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.211 8.845 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.136 10.310 0.527 1.00 0.00 H new ATOM 459 N THR A 28 2.692 8.386 0.573 1.00 0.00 N ATOM 460 CA THR A 28 3.582 7.526 -0.185 1.00 0.00 C ATOM 461 C THR A 28 3.216 6.066 0.060 1.00 0.00 C ATOM 462 O THR A 28 3.303 5.575 1.184 1.00 0.00 O ATOM 463 CB THR A 28 5.051 7.770 0.206 1.00 0.00 C ATOM 464 OG1 THR A 28 5.357 9.165 0.091 1.00 0.00 O ATOM 465 CG2 THR A 28 5.994 6.974 -0.679 1.00 0.00 C ATOM 0 H THR A 28 3.076 8.718 1.458 1.00 0.00 H new ATOM 0 HA THR A 28 3.468 7.759 -1.244 1.00 0.00 H new ATOM 0 HB THR A 28 5.185 7.443 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.814 9.673 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.024 7.167 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.779 5.910 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.857 7.273 -1.718 1.00 0.00 H new ATOM 473 N PHE A 29 2.791 5.381 -0.986 1.00 0.00 N ATOM 474 CA PHE A 29 2.306 4.017 -0.847 1.00 0.00 C ATOM 475 C PHE A 29 3.113 3.067 -1.716 1.00 0.00 C ATOM 476 O PHE A 29 3.890 3.500 -2.564 1.00 0.00 O ATOM 477 CB PHE A 29 0.829 3.936 -1.245 1.00 0.00 C ATOM 478 CG PHE A 29 0.588 4.132 -2.718 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.517 5.404 -3.260 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.431 3.043 -3.561 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.300 5.586 -4.612 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.212 3.218 -4.913 1.00 0.00 C ATOM 483 CZ PHE A 29 0.146 4.491 -5.440 1.00 0.00 C ATOM 0 H PHE A 29 2.771 5.744 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 29 2.418 3.724 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.434 2.965 -0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.271 4.690 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.633 6.265 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.481 2.044 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.251 6.584 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.093 2.359 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.026 4.631 -6.497 1.00 0.00 H new ATOM 493 N LEU A 30 2.920 1.776 -1.498 1.00 0.00 N ATOM 494 CA LEU A 30 3.482 0.752 -2.362 1.00 0.00 C ATOM 495 C LEU A 30 2.754 -0.566 -2.123 1.00 0.00 C ATOM 496 O LEU A 30 2.594 -0.998 -0.978 1.00 0.00 O ATOM 497 CB LEU A 30 5.004 0.591 -2.150 1.00 0.00 C ATOM 498 CG LEU A 30 5.466 -0.081 -0.845 1.00 0.00 C ATOM 499 CD1 LEU A 30 6.977 -0.247 -0.841 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.043 0.720 0.374 1.00 0.00 C ATOM 0 H LEU A 30 2.371 1.410 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 30 3.341 1.060 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.402 0.015 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.458 1.581 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 30 4.990 -1.060 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.288 -0.724 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.277 -0.868 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.451 0.731 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.386 0.216 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.482 1.716 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.956 0.803 0.395 1.00 0.00 H new ATOM 512 N VAL A 31 2.274 -1.180 -3.192 1.00 0.00 N ATOM 513 CA VAL A 31 1.610 -2.465 -3.078 1.00 0.00 C ATOM 514 C VAL A 31 2.616 -3.589 -3.251 1.00 0.00 C ATOM 515 O VAL A 31 3.172 -3.810 -4.332 1.00 0.00 O ATOM 516 CB VAL A 31 0.411 -2.622 -4.056 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.632 -1.844 -5.333 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.145 -4.091 -4.372 1.00 0.00 C ATOM 0 H VAL A 31 2.332 -0.812 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 31 1.184 -2.519 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.467 -2.212 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.225 -1.977 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.749 -0.786 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.532 -2.208 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.699 -4.169 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.030 -4.530 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.086 -4.625 -3.451 1.00 0.00 H new ATOM 528 N ARG A 32 2.874 -4.262 -2.150 1.00 0.00 N ATOM 529 CA ARG A 32 3.800 -5.369 -2.126 1.00 0.00 C ATOM 530 C ARG A 32 3.036 -6.668 -1.934 1.00 0.00 C ATOM 531 O ARG A 32 1.939 -6.670 -1.375 1.00 0.00 O ATOM 532 CB ARG A 32 4.815 -5.180 -0.995 1.00 0.00 C ATOM 533 CG ARG A 32 4.183 -5.059 0.382 1.00 0.00 C ATOM 534 CD ARG A 32 5.235 -4.923 1.465 1.00 0.00 C ATOM 535 NE ARG A 32 4.643 -4.860 2.800 1.00 0.00 N ATOM 536 CZ ARG A 32 4.920 -5.724 3.772 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.767 -6.718 3.554 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.357 -5.590 4.965 1.00 0.00 N ATOM 0 H ARG A 32 2.447 -4.055 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 32 4.338 -5.408 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.506 -6.023 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.404 -4.285 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.521 -4.193 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.567 -5.936 0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.921 -5.769 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.824 -4.023 1.287 1.00 0.00 H new ATOM 0 HE ARG A 32 3.980 -4.111 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.208 -6.821 2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.979 -7.380 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.709 -4.822 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.572 -6.255 5.708 1.00 0.00 H new ATOM 552 N GLU A 33 3.607 -7.760 -2.402 1.00 0.00 N ATOM 553 CA GLU A 33 2.987 -9.063 -2.245 1.00 0.00 C ATOM 554 C GLU A 33 3.331 -9.622 -0.874 1.00 0.00 C ATOM 555 O GLU A 33 4.365 -9.276 -0.296 1.00 0.00 O ATOM 556 CB GLU A 33 3.445 -10.021 -3.347 1.00 0.00 C ATOM 557 CG GLU A 33 2.296 -10.709 -4.073 1.00 0.00 C ATOM 558 CD GLU A 33 1.515 -11.670 -3.194 1.00 0.00 C ATOM 559 OE1 GLU A 33 0.804 -11.209 -2.280 1.00 0.00 O ATOM 560 OE2 GLU A 33 1.613 -12.895 -3.421 1.00 0.00 O ATOM 0 H GLU A 33 4.500 -7.772 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 33 1.906 -8.954 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.043 -9.469 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.094 -10.780 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.617 -9.951 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.692 -11.253 -4.931 1.00 0.00 H new ATOM 567 N SER A 34 2.450 -10.461 -0.362 1.00 0.00 N ATOM 568 CA SER A 34 2.596 -11.029 0.963 1.00 0.00 C ATOM 569 C SER A 34 3.888 -11.837 1.098 1.00 0.00 C ATOM 570 O SER A 34 4.166 -12.740 0.310 1.00 0.00 O ATOM 571 CB SER A 34 1.367 -11.881 1.293 1.00 0.00 C ATOM 572 OG SER A 34 0.918 -12.623 0.166 1.00 0.00 O ATOM 0 H SER A 34 1.612 -10.768 -0.855 1.00 0.00 H new ATOM 0 HA SER A 34 2.665 -10.213 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.608 -12.566 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.563 -11.236 1.647 1.00 0.00 H new ATOM 0 HG SER A 34 1.477 -13.421 0.056 1.00 0.00 H new ATOM 578 N GLU A 35 4.673 -11.473 2.111 1.00 0.00 N ATOM 579 CA GLU A 35 5.989 -12.058 2.339 1.00 0.00 C ATOM 580 C GLU A 35 5.890 -13.441 2.991 1.00 0.00 C ATOM 581 O GLU A 35 6.457 -14.409 2.491 1.00 0.00 O ATOM 582 CB GLU A 35 6.836 -11.102 3.199 1.00 0.00 C ATOM 583 CG GLU A 35 6.187 -10.721 4.524 1.00 0.00 C ATOM 584 CD GLU A 35 6.893 -9.581 5.229 1.00 0.00 C ATOM 585 OE1 GLU A 35 8.048 -9.761 5.657 1.00 0.00 O ATOM 586 OE2 GLU A 35 6.294 -8.494 5.349 1.00 0.00 O ATOM 0 H GLU A 35 4.412 -10.764 2.796 1.00 0.00 H new ATOM 0 HA GLU A 35 6.475 -12.197 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.801 -11.568 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.033 -10.194 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.149 -10.442 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.175 -11.592 5.179 1.00 0.00 H new ATOM 593 N THR A 36 5.174 -13.524 4.106 1.00 0.00 N ATOM 594 CA THR A 36 5.000 -14.781 4.816 1.00 0.00 C ATOM 595 C THR A 36 3.571 -15.286 4.663 1.00 0.00 C ATOM 596 O THR A 36 3.258 -16.428 5.001 1.00 0.00 O ATOM 597 CB THR A 36 5.346 -14.618 6.306 1.00 0.00 C ATOM 598 OG1 THR A 36 4.796 -13.389 6.803 1.00 0.00 O ATOM 599 CG2 THR A 36 6.853 -14.624 6.516 1.00 0.00 C ATOM 0 H THR A 36 4.703 -12.729 4.538 1.00 0.00 H new ATOM 0 HA THR A 36 5.680 -15.513 4.381 1.00 0.00 H new ATOM 0 HB THR A 36 4.916 -15.458 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.018 -13.292 7.753 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.073 -14.507 7.577 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.266 -15.568 6.161 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.301 -13.801 5.960 1.00 0.00 H new ATOM 607 N THR A 37 2.714 -14.422 4.147 1.00 0.00 N ATOM 608 CA THR A 37 1.337 -14.773 3.857 1.00 0.00 C ATOM 609 C THR A 37 1.244 -15.268 2.413 1.00 0.00 C ATOM 610 O THR A 37 2.133 -14.993 1.609 1.00 0.00 O ATOM 611 CB THR A 37 0.422 -13.548 4.064 1.00 0.00 C ATOM 612 OG1 THR A 37 0.785 -12.884 5.282 1.00 0.00 O ATOM 613 CG2 THR A 37 -1.044 -13.951 4.129 1.00 0.00 C ATOM 0 H THR A 37 2.954 -13.458 3.918 1.00 0.00 H new ATOM 0 HA THR A 37 1.009 -15.563 4.533 1.00 0.00 H new ATOM 0 HB THR A 37 0.554 -12.879 3.213 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.206 -12.104 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.659 -13.063 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.329 -14.440 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.196 -14.639 4.961 1.00 0.00 H new ATOM 621 N LYS A 38 0.203 -16.019 2.090 1.00 0.00 N ATOM 622 CA LYS A 38 0.041 -16.531 0.736 1.00 0.00 C ATOM 623 C LYS A 38 -1.237 -16.004 0.099 1.00 0.00 C ATOM 624 O LYS A 38 -2.259 -16.694 0.065 1.00 0.00 O ATOM 625 CB LYS A 38 0.034 -18.061 0.737 1.00 0.00 C ATOM 626 CG LYS A 38 1.332 -18.678 1.235 1.00 0.00 C ATOM 627 CD LYS A 38 2.519 -18.240 0.393 1.00 0.00 C ATOM 628 CE LYS A 38 3.808 -18.890 0.865 1.00 0.00 C ATOM 629 NZ LYS A 38 4.970 -18.489 0.029 1.00 0.00 N ATOM 0 H LYS A 38 -0.537 -16.286 2.739 1.00 0.00 H new ATOM 0 HA LYS A 38 0.888 -16.182 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.788 -18.411 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.162 -18.415 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.497 -18.392 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.251 -19.765 1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.341 -18.499 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.619 -17.156 0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.995 -18.614 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.699 -19.974 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.830 -18.954 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.804 -18.775 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.091 -17.457 0.074 1.00 0.00 H new ATOM 643 N GLY A 39 -1.178 -14.776 -0.397 1.00 0.00 N ATOM 644 CA GLY A 39 -2.315 -14.206 -1.091 1.00 0.00 C ATOM 645 C GLY A 39 -2.957 -13.077 -0.315 1.00 0.00 C ATOM 646 O GLY A 39 -4.159 -13.102 -0.049 1.00 0.00 O ATOM 0 H GLY A 39 -0.364 -14.165 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.995 -13.838 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.055 -14.986 -1.272 1.00 0.00 H new ATOM 650 N ALA A 40 -2.153 -12.089 0.049 1.00 0.00 N ATOM 651 CA ALA A 40 -2.632 -10.932 0.782 1.00 0.00 C ATOM 652 C ALA A 40 -1.707 -9.754 0.547 1.00 0.00 C ATOM 653 O ALA A 40 -0.752 -9.533 1.296 1.00 0.00 O ATOM 654 CB ALA A 40 -2.744 -11.229 2.265 1.00 0.00 C ATOM 0 H ALA A 40 -1.154 -12.069 -0.156 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.628 -10.683 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.105 -10.343 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.442 -12.051 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.765 -11.506 2.656 1.00 0.00 H new ATOM 660 N TYR A 41 -2.006 -9.007 -0.496 1.00 0.00 N ATOM 661 CA TYR A 41 -1.170 -7.893 -0.912 1.00 0.00 C ATOM 662 C TYR A 41 -1.150 -6.828 0.164 1.00 0.00 C ATOM 663 O TYR A 41 -2.157 -6.570 0.806 1.00 0.00 O ATOM 664 CB TYR A 41 -1.682 -7.309 -2.231 1.00 0.00 C ATOM 665 CG TYR A 41 -1.790 -8.334 -3.338 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.940 -9.101 -3.496 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.735 -8.550 -4.215 1.00 0.00 C ATOM 668 CE1 TYR A 41 -3.033 -10.049 -4.495 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.823 -9.498 -5.216 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.972 -10.244 -5.352 1.00 0.00 C ATOM 671 OH TYR A 41 -2.055 -11.195 -6.343 1.00 0.00 O ATOM 0 H TYR A 41 -2.831 -9.152 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.153 -8.254 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.661 -6.859 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.014 -6.509 -2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.774 -8.952 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.169 -7.968 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.933 -10.635 -4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.007 -9.653 -5.890 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.222 -11.203 -6.859 1.00 0.00 H new ATOM 681 N CYS A 42 -0.008 -6.223 0.379 1.00 0.00 N ATOM 682 CA CYS A 42 0.110 -5.226 1.417 1.00 0.00 C ATOM 683 C CYS A 42 0.264 -3.841 0.812 1.00 0.00 C ATOM 684 O CYS A 42 1.305 -3.506 0.243 1.00 0.00 O ATOM 685 CB CYS A 42 1.288 -5.544 2.338 1.00 0.00 C ATOM 686 SG CYS A 42 1.422 -4.440 3.763 1.00 0.00 S ATOM 0 H CYS A 42 0.848 -6.401 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.803 -5.241 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.192 -6.570 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.212 -5.491 1.762 1.00 0.00 H new ATOM 0 HG CYS A 42 0.267 -3.892 3.998 1.00 0.00 H new ATOM 692 N LEU A 43 -0.793 -3.053 0.911 1.00 0.00 N ATOM 693 CA LEU A 43 -0.739 -1.661 0.513 1.00 0.00 C ATOM 694 C LEU A 43 -0.248 -0.858 1.705 1.00 0.00 C ATOM 695 O LEU A 43 -1.039 -0.387 2.524 1.00 0.00 O ATOM 696 CB LEU A 43 -2.122 -1.173 0.049 1.00 0.00 C ATOM 697 CG LEU A 43 -2.148 0.107 -0.808 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.638 1.317 -0.039 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.343 -0.082 -2.086 1.00 0.00 C ATOM 0 H LEU A 43 -1.700 -3.357 1.265 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.058 -1.533 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.593 -1.974 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.738 -1.005 0.932 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.189 0.296 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.674 2.197 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.264 1.481 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.610 1.140 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.375 0.834 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.308 -0.315 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.768 -0.901 -2.666 1.00 0.00 H new ATOM 711 N SER A 44 1.058 -0.742 1.823 1.00 0.00 N ATOM 712 CA SER A 44 1.644 -0.016 2.924 1.00 0.00 C ATOM 713 C SER A 44 1.741 1.457 2.552 1.00 0.00 C ATOM 714 O SER A 44 2.178 1.799 1.452 1.00 0.00 O ATOM 715 CB SER A 44 3.020 -0.585 3.265 1.00 0.00 C ATOM 716 OG SER A 44 3.349 -0.346 4.619 1.00 0.00 O ATOM 0 H SER A 44 1.731 -1.142 1.169 1.00 0.00 H new ATOM 0 HA SER A 44 1.015 -0.120 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.032 -1.657 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.774 -0.134 2.619 1.00 0.00 H new ATOM 0 HG SER A 44 3.412 -1.200 5.096 1.00 0.00 H new ATOM 722 N VAL A 45 1.304 2.321 3.451 1.00 0.00 N ATOM 723 CA VAL A 45 1.296 3.748 3.185 1.00 0.00 C ATOM 724 C VAL A 45 2.030 4.496 4.295 1.00 0.00 C ATOM 725 O VAL A 45 1.925 4.143 5.474 1.00 0.00 O ATOM 726 CB VAL A 45 -0.147 4.288 3.024 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.948 4.118 4.305 1.00 0.00 C ATOM 728 CG2 VAL A 45 -0.140 5.745 2.578 1.00 0.00 C ATOM 0 H VAL A 45 0.950 2.059 4.371 1.00 0.00 H new ATOM 0 HA VAL A 45 1.816 3.917 2.242 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.633 3.699 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.956 4.507 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.001 3.060 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.462 4.665 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.166 6.098 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.378 6.351 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.373 5.830 1.620 1.00 0.00 H new ATOM 738 N SER A 46 2.793 5.501 3.906 1.00 0.00 N ATOM 739 CA SER A 46 3.578 6.273 4.847 1.00 0.00 C ATOM 740 C SER A 46 2.773 7.435 5.410 1.00 0.00 C ATOM 741 O SER A 46 2.020 8.097 4.686 1.00 0.00 O ATOM 742 CB SER A 46 4.826 6.805 4.155 1.00 0.00 C ATOM 743 OG SER A 46 4.481 7.711 3.119 1.00 0.00 O ATOM 0 H SER A 46 2.885 5.802 2.936 1.00 0.00 H new ATOM 0 HA SER A 46 3.861 5.620 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.466 7.304 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.400 5.975 3.742 1.00 0.00 H new ATOM 0 HG SER A 46 5.160 8.415 3.060 1.00 0.00 H new ATOM 749 N ASP A 47 2.930 7.676 6.698 1.00 0.00 N ATOM 750 CA ASP A 47 2.317 8.828 7.331 1.00 0.00 C ATOM 751 C ASP A 47 3.370 9.672 8.017 1.00 0.00 C ATOM 752 O ASP A 47 4.171 9.176 8.812 1.00 0.00 O ATOM 753 CB ASP A 47 1.243 8.403 8.328 1.00 0.00 C ATOM 754 CG ASP A 47 0.722 9.567 9.153 1.00 0.00 C ATOM 755 OD1 ASP A 47 0.335 10.597 8.560 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.675 9.455 10.394 1.00 0.00 O ATOM 0 H ASP A 47 3.478 7.089 7.327 1.00 0.00 H new ATOM 0 HA ASP A 47 1.837 9.425 6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.414 7.943 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.651 7.643 8.995 1.00 0.00 H new ATOM 761 N PHE A 48 3.373 10.948 7.683 1.00 0.00 N ATOM 762 CA PHE A 48 4.324 11.887 8.251 1.00 0.00 C ATOM 763 C PHE A 48 3.619 12.791 9.242 1.00 0.00 C ATOM 764 O PHE A 48 3.107 13.852 8.890 1.00 0.00 O ATOM 765 CB PHE A 48 4.975 12.724 7.156 1.00 0.00 C ATOM 766 CG PHE A 48 6.070 13.632 7.651 1.00 0.00 C ATOM 767 CD1 PHE A 48 7.289 13.113 8.052 1.00 0.00 C ATOM 768 CD2 PHE A 48 5.879 15.003 7.708 1.00 0.00 C ATOM 769 CE1 PHE A 48 8.298 13.943 8.502 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.884 15.839 8.157 1.00 0.00 C ATOM 771 CZ PHE A 48 8.096 15.309 8.555 1.00 0.00 C ATOM 0 H PHE A 48 2.722 11.362 7.016 1.00 0.00 H new ATOM 0 HA PHE A 48 5.104 11.325 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.385 12.057 6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.209 13.327 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.453 12.046 8.013 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.934 15.423 7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.244 13.524 8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.722 16.906 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.883 15.960 8.906 1.00 0.00 H new ATOM 781 N ASP A 49 3.584 12.347 10.474 1.00 0.00 N ATOM 782 CA ASP A 49 2.924 13.090 11.536 1.00 0.00 C ATOM 783 C ASP A 49 3.918 14.011 12.233 1.00 0.00 C ATOM 784 O ASP A 49 5.111 13.727 12.283 1.00 0.00 O ATOM 785 CB ASP A 49 2.292 12.132 12.542 1.00 0.00 C ATOM 786 CG ASP A 49 1.580 12.855 13.665 1.00 0.00 C ATOM 787 OD1 ASP A 49 0.507 13.441 13.420 1.00 0.00 O ATOM 788 OD2 ASP A 49 2.103 12.853 14.794 1.00 0.00 O ATOM 0 H ASP A 49 4.006 11.469 10.775 1.00 0.00 H new ATOM 0 HA ASP A 49 2.135 13.699 11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.584 11.484 12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.066 11.489 12.962 1.00 0.00 H new ATOM 793 N ASN A 50 3.416 15.103 12.779 1.00 0.00 N ATOM 794 CA ASN A 50 4.274 16.128 13.372 1.00 0.00 C ATOM 795 C ASN A 50 4.334 16.015 14.895 1.00 0.00 C ATOM 796 O ASN A 50 4.843 16.909 15.572 1.00 0.00 O ATOM 797 CB ASN A 50 3.799 17.526 12.958 1.00 0.00 C ATOM 798 CG ASN A 50 2.322 17.762 13.227 1.00 0.00 C ATOM 799 OD1 ASN A 50 1.738 17.197 14.156 1.00 0.00 O ATOM 800 ND2 ASN A 50 1.705 18.590 12.407 1.00 0.00 N ATOM 0 H ASN A 50 2.418 15.309 12.827 1.00 0.00 H new ATOM 0 HA ASN A 50 5.284 15.967 12.994 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.383 18.274 13.494 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.995 17.669 11.895 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.711 18.782 12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.222 19.038 11.650 1.00 0.00 H new ATOM 807 N ALA A 51 3.807 14.924 15.433 1.00 0.00 N ATOM 808 CA ALA A 51 3.877 14.671 16.864 1.00 0.00 C ATOM 809 C ALA A 51 4.577 13.345 17.136 1.00 0.00 C ATOM 810 O ALA A 51 5.403 13.237 18.046 1.00 0.00 O ATOM 811 CB ALA A 51 2.483 14.677 17.474 1.00 0.00 C ATOM 0 H ALA A 51 3.326 14.200 14.899 1.00 0.00 H new ATOM 0 HA ALA A 51 4.458 15.467 17.329 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.554 14.486 18.545 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.018 15.649 17.308 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.878 13.900 17.006 1.00 0.00 H new ATOM 817 N LYS A 52 4.242 12.340 16.339 1.00 0.00 N ATOM 818 CA LYS A 52 4.858 11.035 16.446 1.00 0.00 C ATOM 819 C LYS A 52 5.997 10.895 15.440 1.00 0.00 C ATOM 820 O LYS A 52 7.024 10.280 15.728 1.00 0.00 O ATOM 821 CB LYS A 52 3.803 9.951 16.220 1.00 0.00 C ATOM 822 CG LYS A 52 4.382 8.564 16.039 1.00 0.00 C ATOM 823 CD LYS A 52 3.294 7.524 15.831 1.00 0.00 C ATOM 824 CE LYS A 52 3.870 6.118 15.752 1.00 0.00 C ATOM 825 NZ LYS A 52 4.610 5.743 16.987 1.00 0.00 N ATOM 0 H LYS A 52 3.538 12.411 15.604 1.00 0.00 H new ATOM 0 HA LYS A 52 5.277 10.920 17.446 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.118 9.941 17.068 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.215 10.207 15.339 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.057 8.560 15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.975 8.300 16.915 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.577 7.578 16.650 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.748 7.746 14.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.062 5.405 15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.539 6.049 14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.734 4.711 17.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.542 6.204 16.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.072 6.052 17.822 1.00 0.00 H new ATOM 839 N GLY A 53 5.816 11.484 14.268 1.00 0.00 N ATOM 840 CA GLY A 53 6.818 11.395 13.227 1.00 0.00 C ATOM 841 C GLY A 53 6.384 10.467 12.116 1.00 0.00 C ATOM 842 O GLY A 53 5.186 10.236 11.926 1.00 0.00 O ATOM 0 H GLY A 53 4.988 12.025 14.018 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.009 12.388 12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.756 11.040 13.653 1.00 0.00 H new ATOM 846 N LEU A 54 7.350 9.939 11.381 1.00 0.00 N ATOM 847 CA LEU A 54 7.065 8.983 10.323 1.00 0.00 C ATOM 848 C LEU A 54 6.599 7.656 10.900 1.00 0.00 C ATOM 849 O LEU A 54 7.277 7.057 11.733 1.00 0.00 O ATOM 850 CB LEU A 54 8.298 8.765 9.443 1.00 0.00 C ATOM 851 CG LEU A 54 8.505 9.810 8.347 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.864 9.631 7.691 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.401 9.709 7.305 1.00 0.00 C ATOM 0 H LEU A 54 8.340 10.157 11.498 1.00 0.00 H new ATOM 0 HA LEU A 54 6.264 9.396 9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.182 8.750 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.224 7.782 8.977 1.00 0.00 H new ATOM 0 HG LEU A 54 8.467 10.800 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.994 10.383 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.647 9.744 8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.926 8.637 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.562 10.459 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.414 8.716 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.435 9.879 7.781 1.00 0.00 H new ATOM 865 N ASN A 55 5.433 7.216 10.466 1.00 0.00 N ATOM 866 CA ASN A 55 4.904 5.924 10.863 1.00 0.00 C ATOM 867 C ASN A 55 4.321 5.230 9.643 1.00 0.00 C ATOM 868 O ASN A 55 3.814 5.884 8.729 1.00 0.00 O ATOM 869 CB ASN A 55 3.847 6.077 11.968 1.00 0.00 C ATOM 870 CG ASN A 55 2.611 6.826 11.510 1.00 0.00 C ATOM 871 OD1 ASN A 55 1.623 6.222 11.084 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.662 8.148 11.587 1.00 0.00 N ATOM 0 H ASN A 55 4.829 7.740 9.833 1.00 0.00 H new ATOM 0 HA ASN A 55 5.711 5.315 11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.555 5.088 12.322 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.289 6.601 12.815 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.864 8.707 11.287 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.500 8.606 11.946 1.00 0.00 H new ATOM 879 N VAL A 56 4.428 3.915 9.610 1.00 0.00 N ATOM 880 CA VAL A 56 3.999 3.152 8.450 1.00 0.00 C ATOM 881 C VAL A 56 2.743 2.349 8.753 1.00 0.00 C ATOM 882 O VAL A 56 2.679 1.606 9.736 1.00 0.00 O ATOM 883 CB VAL A 56 5.122 2.215 7.953 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.633 1.331 6.818 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.316 3.033 7.502 1.00 0.00 C ATOM 0 H VAL A 56 4.808 3.352 10.371 1.00 0.00 H new ATOM 0 HA VAL A 56 3.769 3.866 7.659 1.00 0.00 H new ATOM 0 HB VAL A 56 5.421 1.570 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.444 0.682 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.798 0.722 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.306 1.955 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.104 2.365 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.017 3.697 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.687 3.626 8.338 1.00 0.00 H new ATOM 895 N LYS A 57 1.742 2.510 7.904 1.00 0.00 N ATOM 896 CA LYS A 57 0.477 1.826 8.072 1.00 0.00 C ATOM 897 C LYS A 57 0.334 0.726 7.027 1.00 0.00 C ATOM 898 O LYS A 57 -0.008 0.990 5.874 1.00 0.00 O ATOM 899 CB LYS A 57 -0.674 2.827 7.963 1.00 0.00 C ATOM 900 CG LYS A 57 -0.556 3.972 8.952 1.00 0.00 C ATOM 901 CD LYS A 57 -1.644 5.007 8.748 1.00 0.00 C ATOM 902 CE LYS A 57 -1.516 6.144 9.747 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.674 5.673 11.148 1.00 0.00 N ATOM 0 H LYS A 57 1.785 3.116 7.084 1.00 0.00 H new ATOM 0 HA LYS A 57 0.446 1.367 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.704 3.230 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.618 2.307 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.612 3.582 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.420 4.445 8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.587 5.403 7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.621 4.536 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.542 6.620 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.269 6.902 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.818 6.490 11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.497 5.040 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.818 5.159 11.440 1.00 0.00 H new ATOM 917 N HIS A 58 0.626 -0.501 7.435 1.00 0.00 N ATOM 918 CA HIS A 58 0.544 -1.650 6.543 1.00 0.00 C ATOM 919 C HIS A 58 -0.902 -2.098 6.394 1.00 0.00 C ATOM 920 O HIS A 58 -1.419 -2.833 7.240 1.00 0.00 O ATOM 921 CB HIS A 58 1.380 -2.823 7.075 1.00 0.00 C ATOM 922 CG HIS A 58 2.843 -2.535 7.212 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.733 -2.863 6.215 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.521 -1.982 8.246 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.926 -2.505 6.664 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.843 -1.968 7.889 1.00 0.00 N ATOM 0 H HIS A 58 0.924 -0.727 8.384 1.00 0.00 H new ATOM 0 HA HIS A 58 0.938 -1.346 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.989 -3.119 8.048 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.252 -3.675 6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.100 -1.622 9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.847 -2.630 6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.618 -1.615 8.450 1.00 0.00 H new ATOM 934 N TYR A 59 -1.560 -1.642 5.343 1.00 0.00 N ATOM 935 CA TYR A 59 -2.910 -2.088 5.047 1.00 0.00 C ATOM 936 C TYR A 59 -2.860 -3.386 4.257 1.00 0.00 C ATOM 937 O TYR A 59 -1.922 -3.624 3.495 1.00 0.00 O ATOM 938 CB TYR A 59 -3.685 -1.012 4.285 1.00 0.00 C ATOM 939 CG TYR A 59 -4.110 0.153 5.151 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.289 0.097 5.885 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.337 1.304 5.240 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.686 1.152 6.681 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.728 2.364 6.035 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.901 2.283 6.752 1.00 0.00 C ATOM 945 OH TYR A 59 -5.291 3.339 7.548 1.00 0.00 O ATOM 0 H TYR A 59 -1.182 -0.964 4.681 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.435 -2.269 5.985 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.067 -0.640 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.570 -1.462 3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.905 -0.788 5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.416 1.371 4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.605 1.092 7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.116 3.252 6.094 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.359 4.151 7.004 1.00 0.00 H new ATOM 955 N LYS A 60 -3.858 -4.231 4.454 1.00 0.00 N ATOM 956 CA LYS A 60 -3.843 -5.558 3.866 1.00 0.00 C ATOM 957 C LYS A 60 -4.949 -5.725 2.834 1.00 0.00 C ATOM 958 O LYS A 60 -6.128 -5.553 3.134 1.00 0.00 O ATOM 959 CB LYS A 60 -3.974 -6.622 4.959 1.00 0.00 C ATOM 960 CG LYS A 60 -2.852 -6.566 5.986 1.00 0.00 C ATOM 961 CD LYS A 60 -3.002 -7.631 7.062 1.00 0.00 C ATOM 962 CE LYS A 60 -2.899 -9.040 6.493 1.00 0.00 C ATOM 963 NZ LYS A 60 -2.902 -10.069 7.566 1.00 0.00 N ATOM 0 H LYS A 60 -4.685 -4.022 5.014 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.889 -5.685 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.930 -6.496 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.986 -7.609 4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.894 -6.694 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.838 -5.581 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.232 -7.490 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.965 -7.511 7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.733 -9.220 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.985 -9.129 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.831 -11.015 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.092 -9.912 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.786 -10.000 8.110 1.00 0.00 H new ATOM 977 N ILE A 61 -4.544 -6.054 1.622 1.00 0.00 N ATOM 978 CA ILE A 61 -5.466 -6.338 0.538 1.00 0.00 C ATOM 979 C ILE A 61 -5.807 -7.821 0.543 1.00 0.00 C ATOM 980 O ILE A 61 -5.080 -8.646 -0.018 1.00 0.00 O ATOM 981 CB ILE A 61 -4.859 -5.946 -0.833 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.601 -4.437 -0.886 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.765 -6.382 -1.980 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.922 -3.973 -2.157 1.00 0.00 C ATOM 0 H ILE A 61 -3.561 -6.132 1.360 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.369 -5.747 0.689 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.908 -6.466 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.551 -3.912 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.985 -4.154 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.314 -6.094 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.892 -7.464 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.737 -5.900 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.774 -2.894 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.956 -4.468 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.546 -4.223 -3.015 1.00 0.00 H new ATOM 996 N ARG A 62 -6.900 -8.159 1.204 1.00 0.00 N ATOM 997 CA ARG A 62 -7.317 -9.545 1.316 1.00 0.00 C ATOM 998 C ARG A 62 -8.351 -9.854 0.243 1.00 0.00 C ATOM 999 O ARG A 62 -9.020 -8.950 -0.260 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.911 -9.817 2.702 1.00 0.00 C ATOM 1001 CG ARG A 62 -7.976 -11.296 3.048 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.862 -11.560 4.254 1.00 0.00 C ATOM 1003 NE ARG A 62 -10.277 -11.358 3.948 1.00 0.00 N ATOM 1004 CZ ARG A 62 -11.207 -12.310 4.036 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.872 -13.543 4.394 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -12.470 -12.031 3.749 1.00 0.00 N ATOM 0 H ARG A 62 -7.515 -7.493 1.671 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.446 -10.186 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.313 -9.301 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.915 -9.395 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.355 -11.853 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.971 -11.666 3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.708 -12.582 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.570 -10.900 5.070 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.572 -10.429 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.899 -13.767 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.587 -14.267 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.731 -11.088 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.181 -12.759 3.816 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.474 -11.127 -0.113 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.484 -11.548 -1.067 1.00 0.00 C ATOM 1022 C LYS A 63 -10.855 -11.546 -0.421 1.00 0.00 C ATOM 1023 O LYS A 63 -10.981 -11.829 0.769 1.00 0.00 O ATOM 1024 CB LYS A 63 -9.192 -12.941 -1.622 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.999 -12.995 -2.551 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.802 -14.400 -3.097 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.514 -14.531 -3.894 1.00 0.00 C ATOM 1028 NZ LYS A 63 -6.390 -15.875 -4.516 1.00 0.00 N ATOM 0 H LYS A 63 -7.888 -11.881 0.245 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.464 -10.837 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.023 -13.624 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.072 -13.300 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.143 -12.297 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.103 -12.678 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.790 -15.111 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.648 -14.663 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.486 -13.766 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.661 -14.352 -3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.500 -15.929 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.392 -16.603 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.191 -16.035 -5.159 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.860 -11.222 -1.209 1.00 0.00 N ATOM 1043 CA LEU A 64 -13.234 -11.160 -0.737 1.00 0.00 C ATOM 1044 C LEU A 64 -13.610 -12.469 -0.071 1.00 0.00 C ATOM 1045 O LEU A 64 -13.924 -12.523 1.121 1.00 0.00 O ATOM 1046 CB LEU A 64 -14.160 -10.922 -1.927 1.00 0.00 C ATOM 1047 CG LEU A 64 -15.384 -10.045 -1.652 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -16.064 -9.668 -2.957 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -16.363 -10.758 -0.726 1.00 0.00 C ATOM 0 H LEU A 64 -11.750 -10.993 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.332 -10.348 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.581 -10.464 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.504 -11.889 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.050 -9.134 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.933 -9.044 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.365 -9.117 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.383 -10.572 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.225 -10.116 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.694 -11.687 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.871 -10.982 0.221 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.530 -13.511 -0.877 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.908 -14.860 -0.501 1.00 0.00 C ATOM 1063 C ASP A 65 -13.807 -15.725 -1.739 1.00 0.00 C ATOM 1064 O ASP A 65 -13.497 -16.914 -1.671 1.00 0.00 O ATOM 1065 CB ASP A 65 -15.336 -14.901 0.051 1.00 0.00 C ATOM 1066 CG ASP A 65 -15.746 -16.290 0.497 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -15.083 -16.851 1.396 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -16.741 -16.822 -0.040 1.00 0.00 O ATOM 0 H ASP A 65 -13.191 -13.440 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.245 -15.223 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -15.416 -14.214 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.028 -14.549 -0.714 1.00 0.00 H new ATOM 1073 N SER A 66 -14.043 -15.093 -2.888 1.00 0.00 N ATOM 1074 CA SER A 66 -13.944 -15.780 -4.164 1.00 0.00 C ATOM 1075 C SER A 66 -12.986 -15.042 -5.102 1.00 0.00 C ATOM 1076 O SER A 66 -11.944 -15.581 -5.484 1.00 0.00 O ATOM 1077 CB SER A 66 -15.331 -15.917 -4.804 1.00 0.00 C ATOM 1078 OG SER A 66 -15.274 -16.657 -6.012 1.00 0.00 O ATOM 0 H SER A 66 -14.303 -14.109 -2.956 1.00 0.00 H new ATOM 0 HA SER A 66 -13.544 -16.779 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.008 -16.409 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.741 -14.927 -5.002 1.00 0.00 H new ATOM 0 HG SER A 66 -16.173 -16.728 -6.395 1.00 0.00 H new ATOM 1084 N GLY A 67 -13.319 -13.799 -5.453 1.00 0.00 N ATOM 1085 CA GLY A 67 -12.496 -13.068 -6.400 1.00 0.00 C ATOM 1086 C GLY A 67 -12.724 -11.571 -6.360 1.00 0.00 C ATOM 1087 O GLY A 67 -13.249 -10.990 -7.308 1.00 0.00 O ATOM 0 H GLY A 67 -14.133 -13.293 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.446 -13.274 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.701 -13.433 -7.406 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.336 -10.952 -5.258 1.00 0.00 N ATOM 1092 CA GLY A 68 -12.394 -9.513 -5.142 1.00 0.00 C ATOM 1093 C GLY A 68 -11.316 -9.017 -4.210 1.00 0.00 C ATOM 1094 O GLY A 68 -11.029 -9.665 -3.208 1.00 0.00 O ATOM 0 H GLY A 68 -11.977 -11.429 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.272 -9.057 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.373 -9.211 -4.770 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.700 -7.898 -4.541 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.633 -7.350 -3.720 1.00 0.00 C ATOM 1100 C PHE A 69 -10.108 -6.088 -3.021 1.00 0.00 C ATOM 1101 O PHE A 69 -10.725 -5.224 -3.646 1.00 0.00 O ATOM 1102 CB PHE A 69 -8.402 -7.043 -4.575 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.849 -8.246 -5.284 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -7.062 -9.163 -4.608 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -8.120 -8.462 -6.626 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.555 -10.272 -5.255 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -7.616 -9.570 -7.279 1.00 0.00 C ATOM 1108 CZ PHE A 69 -6.833 -10.477 -6.593 1.00 0.00 C ATOM 0 H PHE A 69 -10.919 -7.349 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.359 -8.091 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.662 -6.284 -5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.625 -6.617 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.842 -9.009 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.732 -7.756 -7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.942 -10.979 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.834 -9.727 -8.325 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.439 -11.345 -7.101 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.840 -5.993 -1.730 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.252 -4.833 -0.959 1.00 0.00 C ATOM 1120 C TYR A 70 -9.259 -4.543 0.159 1.00 0.00 C ATOM 1121 O TYR A 70 -8.609 -5.451 0.681 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.658 -5.047 -0.375 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.764 -6.184 0.622 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.531 -5.968 1.977 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.110 -7.465 0.214 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.634 -6.998 2.889 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.217 -8.499 1.124 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.978 -8.259 2.459 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.084 -9.286 3.367 1.00 0.00 O ATOM 0 H TYR A 70 -9.340 -6.703 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.276 -3.974 -1.629 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.979 -4.125 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.352 -5.234 -1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.265 -4.979 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.299 -7.656 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.445 -6.815 3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.487 -9.490 0.790 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.360 -8.927 4.236 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.133 -3.267 0.497 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.314 -2.839 1.622 1.00 0.00 C ATOM 1141 C ILE A 71 -9.204 -2.667 2.854 1.00 0.00 C ATOM 1142 O ILE A 71 -8.747 -2.691 3.997 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.589 -1.512 1.301 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.746 -1.663 0.031 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -6.718 -1.076 2.469 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.012 -0.403 -0.376 1.00 0.00 C ATOM 0 H ILE A 71 -9.593 -2.503 0.002 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.557 -3.598 1.818 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.341 -0.741 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.019 -2.461 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.395 -1.974 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.218 -0.140 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.340 -0.931 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.971 -1.844 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.439 -0.593 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.732 0.394 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.336 -0.101 0.424 1.00 0.00 H new ATOM 1158 N THR A 72 -10.489 -2.501 2.589 1.00 0.00 N ATOM 1159 CA THR A 72 -11.496 -2.386 3.626 1.00 0.00 C ATOM 1160 C THR A 72 -12.808 -2.972 3.109 1.00 0.00 C ATOM 1161 O THR A 72 -13.092 -2.907 1.908 1.00 0.00 O ATOM 1162 CB THR A 72 -11.686 -0.914 4.068 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.800 -0.789 4.962 1.00 0.00 O ATOM 1164 CG2 THR A 72 -11.884 -0.001 2.869 1.00 0.00 C ATOM 0 H THR A 72 -10.863 -2.442 1.642 1.00 0.00 H new ATOM 0 HA THR A 72 -11.168 -2.943 4.504 1.00 0.00 H new ATOM 0 HB THR A 72 -10.778 -0.610 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.901 0.148 5.230 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.015 1.026 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.010 -0.059 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.769 -0.314 2.315 1.00 0.00 H new ATOM 1172 N SER A 73 -13.593 -3.552 4.007 1.00 0.00 N ATOM 1173 CA SER A 73 -14.786 -4.300 3.629 1.00 0.00 C ATOM 1174 C SER A 73 -15.951 -3.384 3.238 1.00 0.00 C ATOM 1175 O SER A 73 -17.045 -3.483 3.794 1.00 0.00 O ATOM 1176 CB SER A 73 -15.193 -5.216 4.782 1.00 0.00 C ATOM 1177 OG SER A 73 -14.109 -6.037 5.177 1.00 0.00 O ATOM 0 H SER A 73 -13.423 -3.518 5.012 1.00 0.00 H new ATOM 0 HA SER A 73 -14.544 -4.894 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.528 -4.616 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.035 -5.838 4.479 1.00 0.00 H new ATOM 0 HG SER A 73 -13.525 -6.200 4.407 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.708 -2.501 2.281 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.761 -1.655 1.733 1.00 0.00 C ATOM 1185 C ARG A 74 -16.640 -1.538 0.218 1.00 0.00 C ATOM 1186 O ARG A 74 -17.648 -1.480 -0.486 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.757 -0.262 2.375 1.00 0.00 C ATOM 1188 CG ARG A 74 -15.395 0.413 2.406 1.00 0.00 C ATOM 1189 CD ARG A 74 -15.516 1.891 2.750 1.00 0.00 C ATOM 1190 NE ARG A 74 -15.921 2.693 1.592 1.00 0.00 N ATOM 1191 CZ ARG A 74 -17.110 3.277 1.454 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -18.036 3.140 2.396 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -17.370 4.002 0.369 1.00 0.00 N ATOM 0 H ARG A 74 -14.789 -2.350 1.866 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.712 -2.133 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.453 0.377 1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.131 -0.345 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.758 -0.082 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.910 0.302 1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.244 2.018 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.560 2.255 3.127 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.244 2.812 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.838 2.586 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.945 3.589 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.659 4.110 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.280 4.450 0.261 1.00 0.00 H new ATOM 1207 N THR A 75 -15.413 -1.511 -0.285 1.00 0.00 N ATOM 1208 CA THR A 75 -15.189 -1.383 -1.717 1.00 0.00 C ATOM 1209 C THR A 75 -14.292 -2.515 -2.223 1.00 0.00 C ATOM 1210 O THR A 75 -13.167 -2.670 -1.755 1.00 0.00 O ATOM 1211 CB THR A 75 -14.538 -0.022 -2.052 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.186 1.034 -1.323 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.625 0.270 -3.544 1.00 0.00 C ATOM 0 H THR A 75 -14.563 -1.576 0.274 1.00 0.00 H new ATOM 0 HA THR A 75 -16.158 -1.443 -2.213 1.00 0.00 H new ATOM 0 HB THR A 75 -13.488 -0.074 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.887 1.901 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.160 1.233 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.106 -0.512 -4.099 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.671 0.298 -3.849 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.801 -3.313 -3.161 1.00 0.00 N ATOM 1222 CA GLN A 76 -14.030 -4.421 -3.724 1.00 0.00 C ATOM 1223 C GLN A 76 -13.755 -4.171 -5.202 1.00 0.00 C ATOM 1224 O GLN A 76 -14.639 -3.732 -5.941 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.763 -5.767 -3.568 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.148 -6.120 -2.134 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.387 -5.387 -1.649 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -17.266 -5.040 -2.438 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.467 -5.154 -0.349 1.00 0.00 N ATOM 0 H GLN A 76 -15.740 -3.214 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.092 -4.476 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.666 -5.746 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.128 -6.559 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.319 -7.194 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -14.314 -5.887 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.716 -5.458 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.279 -4.670 0.033 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.531 -4.441 -5.625 1.00 0.00 N ATOM 1239 CA PHE A 77 -12.157 -4.318 -7.028 1.00 0.00 C ATOM 1240 C PHE A 77 -11.590 -5.630 -7.542 1.00 0.00 C ATOM 1241 O PHE A 77 -11.062 -6.431 -6.773 1.00 0.00 O ATOM 1242 CB PHE A 77 -11.134 -3.198 -7.224 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.735 -1.829 -7.124 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.493 -1.321 -8.164 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.551 -1.057 -5.991 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -13.057 -0.065 -8.079 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -12.111 0.200 -5.901 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.865 0.696 -6.944 1.00 0.00 C ATOM 0 H PHE A 77 -11.774 -4.749 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 77 -13.055 -4.071 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.347 -3.298 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.663 -3.311 -8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.645 -1.915 -9.053 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.964 -1.442 -5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.646 0.321 -8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.959 0.796 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 77 -13.305 1.680 -6.872 1.00 0.00 H new ATOM 1258 N SER A 78 -11.711 -5.846 -8.841 1.00 0.00 N ATOM 1259 CA SER A 78 -11.278 -7.092 -9.447 1.00 0.00 C ATOM 1260 C SER A 78 -9.837 -6.990 -9.944 1.00 0.00 C ATOM 1261 O SER A 78 -9.169 -8.002 -10.149 1.00 0.00 O ATOM 1262 CB SER A 78 -12.218 -7.459 -10.595 1.00 0.00 C ATOM 1263 OG SER A 78 -13.574 -7.395 -10.180 1.00 0.00 O ATOM 0 H SER A 78 -12.107 -5.172 -9.497 1.00 0.00 H new ATOM 0 HA SER A 78 -11.312 -7.877 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.058 -6.780 -11.433 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.989 -8.464 -10.950 1.00 0.00 H new ATOM 0 HG SER A 78 -14.157 -7.632 -10.931 1.00 0.00 H new ATOM 1269 N SER A 79 -9.358 -5.763 -10.127 1.00 0.00 N ATOM 1270 CA SER A 79 -8.002 -5.541 -10.601 1.00 0.00 C ATOM 1271 C SER A 79 -7.290 -4.516 -9.723 1.00 0.00 C ATOM 1272 O SER A 79 -7.907 -3.574 -9.220 1.00 0.00 O ATOM 1273 CB SER A 79 -8.027 -5.074 -12.060 1.00 0.00 C ATOM 1274 OG SER A 79 -8.848 -3.927 -12.219 1.00 0.00 O ATOM 0 H SER A 79 -9.890 -4.910 -9.954 1.00 0.00 H new ATOM 0 HA SER A 79 -7.452 -6.480 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.013 -4.847 -12.389 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.396 -5.879 -12.696 1.00 0.00 H new ATOM 0 HG SER A 79 -8.844 -3.650 -13.159 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.988 -4.707 -9.545 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.197 -3.853 -8.670 1.00 0.00 C ATOM 1282 C LEU A 80 -4.913 -2.506 -9.325 1.00 0.00 C ATOM 1283 O LEU A 80 -4.620 -1.529 -8.635 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.886 -4.542 -8.284 1.00 0.00 C ATOM 1285 CG LEU A 80 -4.040 -5.830 -7.472 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.681 -6.447 -7.188 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.781 -5.558 -6.171 1.00 0.00 C ATOM 0 H LEU A 80 -5.456 -5.450 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.778 -3.675 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.332 -4.770 -9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.281 -3.840 -7.710 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.625 -6.537 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.810 -7.362 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.183 -6.680 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.073 -5.742 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.880 -6.486 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.223 -4.833 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.771 -5.160 -6.393 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.995 -2.457 -10.650 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.840 -1.201 -11.377 1.00 0.00 C ATOM 1301 C GLN A 81 -5.956 -0.231 -10.996 1.00 0.00 C ATOM 1302 O GLN A 81 -5.714 0.953 -10.764 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.848 -1.457 -12.888 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.773 -0.193 -13.736 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.527 0.631 -13.473 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.481 0.102 -13.101 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.632 1.934 -13.672 1.00 0.00 N ATOM 0 H GLN A 81 -5.167 -3.270 -11.242 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.883 -0.755 -11.106 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.006 -2.101 -13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.755 -2.002 -13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.803 -0.468 -14.790 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.653 0.420 -13.542 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.518 2.333 -13.981 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.827 2.540 -13.517 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.177 -0.748 -10.913 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.324 0.061 -10.517 1.00 0.00 C ATOM 1318 C GLN A 82 -8.276 0.365 -9.026 1.00 0.00 C ATOM 1319 O GLN A 82 -8.800 1.379 -8.574 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.631 -0.649 -10.871 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.901 -0.707 -12.364 1.00 0.00 C ATOM 1322 CD GLN A 82 -10.071 0.667 -12.993 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -9.700 0.878 -14.148 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.648 1.606 -12.252 1.00 0.00 N ATOM 0 H GLN A 82 -7.398 -1.723 -11.115 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.282 1.003 -11.064 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.603 -1.664 -10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.458 -0.137 -10.379 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.078 -1.226 -12.856 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.801 -1.295 -12.542 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.942 1.394 -11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.797 2.539 -12.636 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.636 -0.524 -8.280 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.461 -0.355 -6.843 1.00 0.00 C ATOM 1335 C LEU A 83 -6.727 0.957 -6.554 1.00 0.00 C ATOM 1336 O LEU A 83 -7.283 1.867 -5.939 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.687 -1.569 -6.288 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.501 -1.663 -4.763 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.456 -0.673 -4.264 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.825 -1.451 -4.048 1.00 0.00 C ATOM 0 H LEU A 83 -7.224 -1.380 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.432 -0.303 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.198 -2.473 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.699 -1.575 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.140 -2.666 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.352 -0.768 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.499 -0.883 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.769 0.342 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.672 -1.521 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.218 -0.465 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.536 -2.215 -4.364 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.492 1.058 -7.029 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.660 2.227 -6.761 1.00 0.00 C ATOM 1354 C VAL A 84 -5.245 3.501 -7.365 1.00 0.00 C ATOM 1355 O VAL A 84 -5.249 4.555 -6.727 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.217 2.033 -7.274 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.367 1.326 -6.232 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.200 1.238 -8.564 1.00 0.00 C ATOM 0 H VAL A 84 -5.043 0.344 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.638 2.336 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.800 3.022 -7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.354 1.199 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.339 1.922 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.797 0.349 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.171 1.116 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.644 0.257 -8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.773 1.768 -9.325 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.736 3.397 -8.591 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.328 4.537 -9.287 1.00 0.00 C ATOM 1370 C ALA A 85 -7.524 5.108 -8.522 1.00 0.00 C ATOM 1371 O ALA A 85 -7.669 6.326 -8.400 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.742 4.134 -10.693 1.00 0.00 C ATOM 0 H ALA A 85 -5.737 2.531 -9.130 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.572 5.320 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.182 4.991 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.867 3.793 -11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.474 3.328 -10.640 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.368 4.226 -7.997 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.568 4.648 -7.285 1.00 0.00 C ATOM 1380 C TYR A 86 -9.221 5.162 -5.893 1.00 0.00 C ATOM 1381 O TYR A 86 -9.750 6.182 -5.448 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.555 3.481 -7.180 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.904 3.854 -6.600 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.937 4.286 -7.422 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.148 3.758 -5.234 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -14.172 4.614 -6.903 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.382 4.083 -4.707 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.388 4.512 -5.544 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.621 4.835 -5.022 1.00 0.00 O ATOM 0 H TYR A 86 -8.243 3.215 -8.051 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.030 5.460 -7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.705 3.057 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.111 2.700 -6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.770 4.366 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.360 3.424 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.965 4.948 -7.556 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.557 4.001 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.608 4.708 -4.050 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.319 4.464 -5.213 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.939 4.819 -3.850 1.00 0.00 C ATOM 1401 C TYR A 87 -7.008 6.029 -3.818 1.00 0.00 C ATOM 1402 O TYR A 87 -6.564 6.466 -2.754 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.303 3.625 -3.134 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.312 2.632 -2.594 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.141 1.903 -3.439 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.440 2.436 -1.229 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.065 1.004 -2.932 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.359 1.543 -0.716 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.171 0.832 -1.570 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.089 -0.056 -1.055 1.00 0.00 O ATOM 0 H TYR A 87 -7.836 3.646 -5.584 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.850 5.094 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.635 3.111 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.690 3.991 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.063 2.040 -4.508 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.808 2.993 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.699 0.441 -3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.441 1.403 0.352 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.749 0.430 -0.518 1.00 0.00 H new ATOM 1420 N SER A 88 -6.706 6.565 -4.990 1.00 0.00 N ATOM 1421 CA SER A 88 -6.009 7.831 -5.082 1.00 0.00 C ATOM 1422 C SER A 88 -7.014 8.965 -4.895 1.00 0.00 C ATOM 1423 O SER A 88 -6.688 10.031 -4.370 1.00 0.00 O ATOM 1424 CB SER A 88 -5.301 7.953 -6.437 1.00 0.00 C ATOM 1425 OG SER A 88 -4.460 9.093 -6.482 1.00 0.00 O ATOM 0 H SER A 88 -6.934 6.140 -5.889 1.00 0.00 H new ATOM 0 HA SER A 88 -5.250 7.889 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.710 7.056 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.044 8.015 -7.233 1.00 0.00 H new ATOM 0 HG SER A 88 -3.798 9.040 -5.761 1.00 0.00 H new ATOM 1431 N LYS A 89 -8.250 8.708 -5.308 1.00 0.00 N ATOM 1432 CA LYS A 89 -9.324 9.683 -5.200 1.00 0.00 C ATOM 1433 C LYS A 89 -10.131 9.427 -3.929 1.00 0.00 C ATOM 1434 O LYS A 89 -10.536 10.355 -3.233 1.00 0.00 O ATOM 1435 CB LYS A 89 -10.227 9.598 -6.434 1.00 0.00 C ATOM 1436 CG LYS A 89 -11.339 10.632 -6.459 1.00 0.00 C ATOM 1437 CD LYS A 89 -12.231 10.449 -7.676 1.00 0.00 C ATOM 1438 CE LYS A 89 -13.350 11.474 -7.716 1.00 0.00 C ATOM 1439 NZ LYS A 89 -12.833 12.864 -7.818 1.00 0.00 N ATOM 0 H LYS A 89 -8.533 7.821 -5.725 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.898 10.685 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.615 9.716 -7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.669 8.603 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.936 10.550 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.908 11.633 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.631 10.531 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.657 9.446 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.001 11.267 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.960 11.380 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.616 13.510 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.406 13.143 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.115 12.913 -8.568 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.359 8.157 -3.637 1.00 0.00 N ATOM 1454 CA HIS A 90 -11.069 7.759 -2.429 1.00 0.00 C ATOM 1455 C HIS A 90 -10.119 7.089 -1.458 1.00 0.00 C ATOM 1456 O HIS A 90 -9.611 6.005 -1.730 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.214 6.796 -2.752 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.519 7.465 -3.040 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.662 7.229 -2.305 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.871 8.347 -4.004 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -15.656 7.936 -2.805 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -15.202 8.620 -3.836 1.00 0.00 N ATOM 0 H HIS A 90 -10.061 7.378 -4.224 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.483 8.661 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.932 6.191 -3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.347 6.114 -1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -13.223 8.759 -4.764 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.670 7.952 -2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -15.754 9.252 -4.416 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.879 7.742 -0.330 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.056 7.162 0.719 1.00 0.00 C ATOM 1473 C ALA A 91 -9.713 5.894 1.247 1.00 0.00 C ATOM 1474 O ALA A 91 -9.034 4.933 1.616 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.839 8.163 1.838 1.00 0.00 C ATOM 0 H ALA A 91 -10.242 8.672 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.081 6.904 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.221 7.712 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.338 9.047 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.802 8.450 2.261 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.046 5.942 1.302 1.00 0.00 N ATOM 1482 CA ASP A 92 -11.906 4.779 1.547 1.00 0.00 C ATOM 1483 C ASP A 92 -11.757 4.243 2.970 1.00 0.00 C ATOM 1484 O ASP A 92 -12.665 4.390 3.789 1.00 0.00 O ATOM 1485 CB ASP A 92 -11.637 3.682 0.510 1.00 0.00 C ATOM 1486 CG ASP A 92 -12.838 2.784 0.283 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -13.931 3.315 -0.008 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -12.697 1.551 0.369 1.00 0.00 O ATOM 0 H ASP A 92 -11.570 6.808 1.175 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.940 5.108 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -11.350 4.143 -0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -10.792 3.076 0.839 1.00 0.00 H new ATOM 1493 N GLY A 93 -10.619 3.635 3.262 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.362 3.112 4.592 1.00 0.00 C ATOM 1495 C GLY A 93 -9.009 3.543 5.119 1.00 0.00 C ATOM 1496 O GLY A 93 -8.816 3.682 6.328 1.00 0.00 O ATOM 0 H GLY A 93 -9.860 3.492 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.142 3.453 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.412 2.023 4.570 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.069 3.747 4.204 1.00 0.00 N ATOM 1501 CA LEU A 94 -6.724 4.184 4.540 1.00 0.00 C ATOM 1502 C LEU A 94 -6.714 5.525 5.226 1.00 0.00 C ATOM 1503 O LEU A 94 -5.924 5.784 6.136 1.00 0.00 O ATOM 1504 CB LEU A 94 -5.887 4.280 3.274 1.00 0.00 C ATOM 1505 CG LEU A 94 -5.606 2.952 2.576 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -6.765 2.549 1.680 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.313 3.027 1.786 1.00 0.00 C ATOM 0 H LEU A 94 -8.221 3.613 3.204 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.308 3.447 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.395 4.941 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.935 4.750 3.522 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.495 2.185 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.537 1.599 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.669 2.443 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.921 3.315 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.130 2.071 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.391 3.812 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.487 3.253 2.461 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.575 6.354 4.709 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.770 7.744 5.134 1.00 0.00 C ATOM 1521 C CYS A 95 -6.741 8.650 4.460 1.00 0.00 C ATOM 1522 O CYS A 95 -7.005 9.824 4.192 1.00 0.00 O ATOM 1523 CB CYS A 95 -7.722 7.893 6.661 1.00 0.00 C ATOM 1524 SG CYS A 95 -8.073 9.566 7.251 1.00 0.00 S ATOM 0 H CYS A 95 -8.196 6.085 3.946 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.768 8.051 4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.441 7.204 7.105 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.735 7.595 7.014 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.768 10.426 6.325 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.580 8.089 4.168 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.568 8.780 3.393 1.00 0.00 C ATOM 1532 C HIS A 96 -4.678 8.344 1.940 1.00 0.00 C ATOM 1533 O HIS A 96 -4.652 7.151 1.639 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.168 8.489 3.944 1.00 0.00 C ATOM 1535 CG HIS A 96 -3.011 8.843 5.392 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.725 10.125 5.794 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -3.124 8.051 6.485 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.673 10.084 7.116 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.911 8.849 7.580 1.00 0.00 N ATOM 0 H HIS A 96 -5.315 7.148 4.460 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.730 9.856 3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.946 7.430 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.434 9.044 3.360 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.341 6.993 6.493 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.465 10.939 7.743 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.930 8.559 8.558 1.00 0.00 H new ATOM 1547 N ARG A 97 -4.833 9.309 1.050 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.038 9.023 -0.363 1.00 0.00 C ATOM 1549 C ARG A 97 -3.732 8.583 -1.007 1.00 0.00 C ATOM 1550 O ARG A 97 -2.665 9.114 -0.685 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.581 10.254 -1.102 1.00 0.00 C ATOM 1552 CG ARG A 97 -6.950 10.740 -0.630 1.00 0.00 C ATOM 1553 CD ARG A 97 -6.886 11.387 0.748 1.00 0.00 C ATOM 1554 NE ARG A 97 -5.809 12.373 0.833 1.00 0.00 N ATOM 1555 CZ ARG A 97 -5.162 12.682 1.956 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -5.523 12.126 3.111 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -4.152 13.543 1.918 1.00 0.00 N ATOM 0 H ARG A 97 -4.821 10.303 1.281 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.770 8.219 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.866 11.069 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.641 10.023 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.347 11.457 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.643 9.899 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.839 11.869 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.735 10.617 1.505 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.535 12.855 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.297 11.462 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.026 12.364 3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.874 13.965 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.654 13.783 2.775 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.823 7.614 -1.911 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.653 7.119 -2.623 1.00 0.00 C ATOM 1573 C LEU A 98 -2.092 8.211 -3.527 1.00 0.00 C ATOM 1574 O LEU A 98 -2.544 8.395 -4.659 1.00 0.00 O ATOM 1575 CB LEU A 98 -3.013 5.876 -3.444 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.595 4.709 -2.639 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.819 3.502 -3.534 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.684 4.351 -1.474 1.00 0.00 C ATOM 0 H LEU A 98 -4.697 7.156 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.891 6.840 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.733 6.162 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.118 5.530 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.558 5.020 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.233 2.684 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.516 3.764 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.870 3.191 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.116 3.520 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.704 4.062 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.578 5.214 -0.816 1.00 0.00 H new ATOM 1590 N THR A 99 -1.110 8.935 -3.014 1.00 0.00 N ATOM 1591 CA THR A 99 -0.585 10.099 -3.700 1.00 0.00 C ATOM 1592 C THR A 99 0.599 9.731 -4.595 1.00 0.00 C ATOM 1593 O THR A 99 0.516 9.842 -5.818 1.00 0.00 O ATOM 1594 CB THR A 99 -0.166 11.176 -2.682 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.227 11.392 -1.737 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.164 12.487 -3.379 1.00 0.00 C ATOM 0 H THR A 99 -0.660 8.734 -2.121 1.00 0.00 H new ATOM 0 HA THR A 99 -1.376 10.497 -4.335 1.00 0.00 H new ATOM 0 HB THR A 99 0.726 10.824 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.561 10.528 -1.417 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.457 13.230 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.985 12.330 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.713 12.842 -3.921 1.00 0.00 H new ATOM 1604 N ASN A 100 1.685 9.263 -3.992 1.00 0.00 N ATOM 1605 CA ASN A 100 2.882 8.915 -4.752 1.00 0.00 C ATOM 1606 C ASN A 100 3.390 7.555 -4.296 1.00 0.00 C ATOM 1607 O ASN A 100 3.003 7.072 -3.231 1.00 0.00 O ATOM 1608 CB ASN A 100 3.970 9.982 -4.571 1.00 0.00 C ATOM 1609 CG ASN A 100 4.808 9.764 -3.328 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.864 9.132 -3.382 1.00 0.00 O ATOM 1611 ND2 ASN A 100 4.348 10.283 -2.204 1.00 0.00 N ATOM 0 H ASN A 100 1.763 9.116 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 100 2.630 8.870 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.620 9.983 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.503 10.965 -4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.872 10.167 -1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.469 10.800 -2.203 1.00 0.00 H new ATOM 1618 N VAL A 101 4.247 6.934 -5.088 1.00 0.00 N ATOM 1619 CA VAL A 101 4.688 5.583 -4.788 1.00 0.00 C ATOM 1620 C VAL A 101 6.089 5.590 -4.177 1.00 0.00 C ATOM 1621 O VAL A 101 6.931 6.414 -4.531 1.00 0.00 O ATOM 1622 CB VAL A 101 4.681 4.689 -6.045 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.441 3.242 -5.653 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.640 5.157 -7.052 1.00 0.00 C ATOM 0 H VAL A 101 4.648 7.338 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 101 3.982 5.171 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 101 5.657 4.766 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.438 2.619 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.234 2.910 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.479 3.157 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.661 4.506 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.651 5.121 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.862 6.180 -7.356 1.00 0.00 H new ATOM 1634 N CYS A 102 6.313 4.654 -3.264 1.00 0.00 N ATOM 1635 CA CYS A 102 7.566 4.541 -2.524 1.00 0.00 C ATOM 1636 C CYS A 102 8.774 4.372 -3.445 1.00 0.00 C ATOM 1637 O CYS A 102 8.720 3.635 -4.429 1.00 0.00 O ATOM 1638 CB CYS A 102 7.479 3.343 -1.573 1.00 0.00 C ATOM 1639 SG CYS A 102 8.997 3.016 -0.642 1.00 0.00 S ATOM 0 H CYS A 102 5.624 3.945 -3.013 1.00 0.00 H new ATOM 0 HA CYS A 102 7.708 5.468 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.664 3.512 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.222 2.454 -2.150 1.00 0.00 H new ATOM 0 HG CYS A 102 10.006 2.965 -1.461 1.00 0.00 H new ATOM 1645 N PRO A 103 9.875 5.079 -3.138 1.00 0.00 N ATOM 1646 CA PRO A 103 11.155 4.932 -3.841 1.00 0.00 C ATOM 1647 C PRO A 103 11.899 3.661 -3.419 1.00 0.00 C ATOM 1648 O PRO A 103 11.457 2.936 -2.527 1.00 0.00 O ATOM 1649 CB PRO A 103 11.952 6.178 -3.415 1.00 0.00 C ATOM 1650 CG PRO A 103 11.001 7.031 -2.639 1.00 0.00 C ATOM 1651 CD PRO A 103 9.959 6.101 -2.093 1.00 0.00 C ATOM 0 HA PRO A 103 11.018 4.848 -4.919 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.813 5.901 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.335 6.712 -4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.516 7.555 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.550 7.791 -3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.255 5.678 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.005 6.605 -1.939 1.00 0.00 H new ATOM 1659 N THR A 104 13.036 3.410 -4.058 1.00 0.00 N ATOM 1660 CA THR A 104 13.832 2.221 -3.786 1.00 0.00 C ATOM 1661 C THR A 104 14.870 2.487 -2.688 1.00 0.00 C ATOM 1662 O THR A 104 15.155 3.641 -2.354 1.00 0.00 O ATOM 1663 CB THR A 104 14.537 1.742 -5.068 1.00 0.00 C ATOM 1664 OG1 THR A 104 15.135 2.857 -5.742 1.00 0.00 O ATOM 1665 CG2 THR A 104 13.560 1.044 -6.005 1.00 0.00 C ATOM 0 H THR A 104 13.429 4.021 -4.774 1.00 0.00 H new ATOM 0 HA THR A 104 13.156 1.441 -3.437 1.00 0.00 H new ATOM 0 HB THR A 104 15.309 1.028 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.583 2.545 -6.556 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.086 0.717 -6.902 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.128 0.179 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.765 1.736 -6.283 1.00 0.00 H new