USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -155:sc= 0.35 USER MOD Set 1.2: A 94 SER OG : rot 102:sc= 0.443 USER MOD Set 2.1: A 41 TYR OH : rot 15:sc= 1.3 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.57 K(o=4.2,f=-6!) USER MOD Set 2.3: A 85 SER OG : rot -70:sc= 1.29 USER MOD Set 3.1: A 34 SER OG : rot -114:sc= 0.729 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.473 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -148:sc= 0.0159 (180deg=-0.32) USER MOD Set 4.2: A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -43:sc= 0.0534 USER MOD Single : A 10 THR OG1 : rot -140:sc= 0.238 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.17) USER MOD Single : A 43 SER OG : rot 43:sc= 0.621 USER MOD Single : A 45 SER OG : rot 78:sc= 1.2 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.235 F(o=-1.1,f=-0.23) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -111:sc= 1.29 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 81 ASN : amide:sc= 1.08 K(o=1.1,f=-0.76) USER MOD Single : A 84 GLN : amide:sc= -0.142 X(o=-0.14,f=0.31) USER MOD Single : A 86 GLN : amide:sc= 0.447 K(o=0.45,f=-0.16) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 50:sc= 0.18 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 98 THR OG1 : rot -1:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.371 -8.975 -1.492 1.00 0.00 N ATOM 2 CA THR A 1 -17.232 -8.703 -0.610 1.00 0.00 C ATOM 3 C THR A 1 -16.082 -9.627 -1.010 1.00 0.00 C ATOM 4 O THR A 1 -16.214 -10.849 -0.972 1.00 0.00 O ATOM 5 CB THR A 1 -17.605 -8.737 0.892 1.00 0.00 C ATOM 6 OG1 THR A 1 -16.497 -8.276 1.633 1.00 0.00 O ATOM 7 CG2 THR A 1 -18.065 -10.081 1.469 1.00 0.00 C ATOM 0 H1 THR A 1 -19.165 -8.355 -1.235 1.00 0.00 H new ATOM 0 H2 THR A 1 -18.097 -8.795 -2.479 1.00 0.00 H new ATOM 0 H3 THR A 1 -18.660 -9.969 -1.389 1.00 0.00 H new ATOM 0 HA THR A 1 -16.896 -7.675 -0.745 1.00 0.00 H new ATOM 0 HB THR A 1 -18.484 -8.098 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 1 -16.714 -8.288 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 1 -18.294 -9.963 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 1 -18.957 -10.418 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 1 -17.272 -10.819 1.350 1.00 0.00 H new ATOM 16 N ALA A 2 -14.996 -9.025 -1.484 1.00 0.00 N ATOM 17 CA ALA A 2 -13.746 -9.641 -1.896 1.00 0.00 C ATOM 18 C ALA A 2 -12.747 -8.489 -2.094 1.00 0.00 C ATOM 19 O ALA A 2 -13.189 -7.359 -2.330 1.00 0.00 O ATOM 20 CB ALA A 2 -13.940 -10.408 -3.210 1.00 0.00 C ATOM 0 H ALA A 2 -14.969 -8.012 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.389 -10.354 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.996 -10.865 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.691 -11.185 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.271 -9.720 -3.988 1.00 0.00 H new ATOM 26 N PRO A 3 -11.435 -8.733 -2.006 1.00 0.00 N ATOM 27 CA PRO A 3 -10.413 -7.737 -2.304 1.00 0.00 C ATOM 28 C PRO A 3 -10.391 -7.369 -3.800 1.00 0.00 C ATOM 29 O PRO A 3 -11.211 -7.840 -4.596 1.00 0.00 O ATOM 30 CB PRO A 3 -9.099 -8.361 -1.813 1.00 0.00 C ATOM 31 CG PRO A 3 -9.347 -9.855 -1.959 1.00 0.00 C ATOM 32 CD PRO A 3 -10.823 -9.992 -1.620 1.00 0.00 C ATOM 0 HA PRO A 3 -10.602 -6.787 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.249 -8.034 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.885 -8.088 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.131 -10.203 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.722 -10.436 -1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.272 -10.827 -2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.964 -10.186 -0.557 1.00 0.00 H new ATOM 40 N ILE A 4 -9.406 -6.566 -4.194 1.00 0.00 N ATOM 41 CA ILE A 4 -9.130 -6.149 -5.557 1.00 0.00 C ATOM 42 C ILE A 4 -7.866 -6.918 -5.903 1.00 0.00 C ATOM 43 O ILE A 4 -6.904 -6.971 -5.128 1.00 0.00 O ATOM 44 CB ILE A 4 -8.859 -4.623 -5.677 1.00 0.00 C ATOM 45 CG1 ILE A 4 -10.049 -3.740 -5.247 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.457 -4.236 -7.114 1.00 0.00 C ATOM 47 CD1 ILE A 4 -10.122 -3.563 -3.730 1.00 0.00 C ATOM 0 H ILE A 4 -8.743 -6.168 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.977 -6.344 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.038 -4.433 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.963 -2.762 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.977 -4.186 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.275 -3.163 -7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.550 -4.772 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.262 -4.500 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.976 -2.934 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.236 -4.537 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.206 -3.091 -3.374 1.00 0.00 H new ATOM 59 N ALA A 5 -7.872 -7.518 -7.084 1.00 0.00 N ATOM 60 CA ALA A 5 -6.756 -8.307 -7.538 1.00 0.00 C ATOM 61 C ALA A 5 -5.749 -7.332 -8.133 1.00 0.00 C ATOM 62 O ALA A 5 -5.988 -6.755 -9.201 1.00 0.00 O ATOM 63 CB ALA A 5 -7.245 -9.319 -8.575 1.00 0.00 C ATOM 0 H ALA A 5 -8.648 -7.468 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.291 -8.872 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.404 -9.919 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.993 -9.970 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.687 -8.790 -9.420 1.00 0.00 H new ATOM 69 N ILE A 6 -4.647 -7.098 -7.427 1.00 0.00 N ATOM 70 CA ILE A 6 -3.533 -6.302 -7.929 1.00 0.00 C ATOM 71 C ILE A 6 -2.500 -7.328 -8.418 1.00 0.00 C ATOM 72 O ILE A 6 -2.578 -8.493 -8.033 1.00 0.00 O ATOM 73 CB ILE A 6 -3.136 -5.197 -6.919 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.736 -5.573 -5.486 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.332 -4.236 -6.807 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.344 -6.179 -5.363 1.00 0.00 C ATOM 0 H ILE A 6 -4.501 -7.458 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.742 -5.667 -8.790 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.214 -4.799 -7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.788 -4.682 -4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.464 -6.282 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.094 -3.439 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.545 -3.804 -7.785 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.206 -4.783 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.141 -6.416 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.290 -7.090 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.603 -5.465 -5.724 1.00 0.00 H new ATOM 88 N THR A 7 -1.559 -6.963 -9.289 1.00 0.00 N ATOM 89 CA THR A 7 -0.655 -7.953 -9.893 1.00 0.00 C ATOM 90 C THR A 7 0.743 -7.959 -9.268 1.00 0.00 C ATOM 91 O THR A 7 1.662 -8.542 -9.835 1.00 0.00 O ATOM 92 CB THR A 7 -0.674 -7.733 -11.421 1.00 0.00 C ATOM 93 OG1 THR A 7 -0.254 -8.894 -12.110 1.00 0.00 O ATOM 94 CG2 THR A 7 0.176 -6.537 -11.869 1.00 0.00 C ATOM 0 H THR A 7 -1.400 -6.002 -9.592 1.00 0.00 H new ATOM 0 HA THR A 7 -1.010 -8.961 -9.681 1.00 0.00 H new ATOM 0 HB THR A 7 -1.711 -7.512 -11.674 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.528 -9.276 -11.660 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.120 -6.437 -12.953 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.200 -5.627 -11.401 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.213 -6.696 -11.572 1.00 0.00 H new ATOM 102 N CYS A 8 0.922 -7.319 -8.111 1.00 0.00 N ATOM 103 CA CYS A 8 2.219 -7.125 -7.461 1.00 0.00 C ATOM 104 C CYS A 8 3.161 -6.185 -8.251 1.00 0.00 C ATOM 105 O CYS A 8 4.344 -6.089 -7.948 1.00 0.00 O ATOM 106 CB CYS A 8 2.866 -8.465 -7.080 1.00 0.00 C ATOM 107 SG CYS A 8 2.036 -9.457 -5.805 1.00 0.00 S ATOM 0 H CYS A 8 0.148 -6.911 -7.587 1.00 0.00 H new ATOM 0 HA CYS A 8 2.029 -6.599 -6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.943 -9.071 -7.983 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.883 -8.265 -6.743 1.00 0.00 H new ATOM 112 N PHE A 9 2.644 -5.448 -9.237 1.00 0.00 N ATOM 113 CA PHE A 9 3.362 -4.404 -9.986 1.00 0.00 C ATOM 114 C PHE A 9 2.549 -3.097 -9.905 1.00 0.00 C ATOM 115 O PHE A 9 2.951 -2.026 -10.356 1.00 0.00 O ATOM 116 CB PHE A 9 3.617 -4.847 -11.436 1.00 0.00 C ATOM 117 CG PHE A 9 4.694 -4.042 -12.148 1.00 0.00 C ATOM 118 CD1 PHE A 9 4.377 -2.847 -12.825 1.00 0.00 C ATOM 119 CD2 PHE A 9 6.029 -4.489 -12.133 1.00 0.00 C ATOM 120 CE1 PHE A 9 5.387 -2.100 -13.459 1.00 0.00 C ATOM 121 CE2 PHE A 9 7.031 -3.759 -12.795 1.00 0.00 C ATOM 122 CZ PHE A 9 6.715 -2.560 -13.454 1.00 0.00 C ATOM 0 H PHE A 9 1.680 -5.563 -9.550 1.00 0.00 H new ATOM 0 HA PHE A 9 4.344 -4.231 -9.545 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.902 -5.899 -11.439 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.687 -4.767 -11.998 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.354 -2.503 -12.857 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.285 -5.398 -11.610 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.141 -1.171 -13.951 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.048 -4.122 -12.797 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.488 -1.995 -13.954 1.00 0.00 H new ATOM 132 N THR A 10 1.347 -3.183 -9.349 1.00 0.00 N ATOM 133 CA THR A 10 0.405 -2.115 -9.132 1.00 0.00 C ATOM 134 C THR A 10 0.995 -1.138 -8.104 1.00 0.00 C ATOM 135 O THR A 10 1.285 -1.522 -6.969 1.00 0.00 O ATOM 136 CB THR A 10 -0.890 -2.781 -8.648 1.00 0.00 C ATOM 137 OG1 THR A 10 -1.131 -4.002 -9.345 1.00 0.00 O ATOM 138 CG2 THR A 10 -2.096 -1.859 -8.800 1.00 0.00 C ATOM 0 H THR A 10 0.986 -4.077 -9.015 1.00 0.00 H new ATOM 0 HA THR A 10 0.196 -1.534 -10.030 1.00 0.00 H new ATOM 0 HB THR A 10 -0.754 -2.995 -7.588 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.087 -4.082 -9.544 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.991 -2.370 -8.446 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.938 -0.954 -8.213 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.221 -1.594 -9.850 1.00 0.00 H new ATOM 146 N ARG A 11 1.226 0.113 -8.497 1.00 0.00 N ATOM 147 CA ARG A 11 1.662 1.185 -7.611 1.00 0.00 C ATOM 148 C ARG A 11 0.449 1.824 -6.936 1.00 0.00 C ATOM 149 O ARG A 11 -0.693 1.613 -7.354 1.00 0.00 O ATOM 150 CB ARG A 11 2.441 2.200 -8.466 1.00 0.00 C ATOM 151 CG ARG A 11 3.790 1.612 -8.918 1.00 0.00 C ATOM 152 CD ARG A 11 4.428 2.397 -10.069 1.00 0.00 C ATOM 153 NE ARG A 11 3.729 2.097 -11.333 1.00 0.00 N ATOM 154 CZ ARG A 11 4.251 1.859 -12.543 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.559 1.915 -12.765 1.00 0.00 N ATOM 156 NH2 ARG A 11 3.431 1.568 -13.550 1.00 0.00 N ATOM 0 H ARG A 11 1.112 0.414 -9.465 1.00 0.00 H new ATOM 0 HA ARG A 11 2.307 0.809 -6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.849 2.477 -9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.610 3.111 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.476 1.597 -8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.644 0.577 -9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.379 3.466 -9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.483 2.137 -10.157 1.00 0.00 H new ATOM 0 HE ARG A 11 2.711 2.067 -11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.196 2.144 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.926 1.729 -13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.424 1.529 -13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.810 1.384 -14.479 1.00 0.00 H new ATOM 170 N GLY A 12 0.684 2.685 -5.946 1.00 0.00 N ATOM 171 CA GLY A 12 -0.351 3.482 -5.284 1.00 0.00 C ATOM 172 C GLY A 12 -0.957 4.553 -6.203 1.00 0.00 C ATOM 173 O GLY A 12 -1.723 5.405 -5.753 1.00 0.00 O ATOM 0 H GLY A 12 1.619 2.852 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.143 2.821 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.075 3.964 -4.404 1.00 0.00 H new ATOM 177 N LEU A 13 -0.546 4.586 -7.471 1.00 0.00 N ATOM 178 CA LEU A 13 -1.082 5.421 -8.534 1.00 0.00 C ATOM 179 C LEU A 13 -2.454 4.855 -8.912 1.00 0.00 C ATOM 180 O LEU A 13 -3.417 5.605 -9.075 1.00 0.00 O ATOM 181 CB LEU A 13 -0.118 5.369 -9.734 1.00 0.00 C ATOM 182 CG LEU A 13 1.289 5.931 -9.452 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.284 5.501 -10.531 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.310 7.459 -9.381 1.00 0.00 C ATOM 0 H LEU A 13 0.216 3.993 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.187 6.460 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.022 4.334 -10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.558 5.926 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 13 1.575 5.524 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.267 5.913 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.344 4.413 -10.558 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.951 5.870 -11.501 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.326 7.800 -9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.970 7.872 -10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.650 7.795 -8.582 1.00 0.00 H new ATOM 196 N ASP A 14 -2.534 3.524 -9.019 1.00 0.00 N ATOM 197 CA ASP A 14 -3.697 2.766 -9.454 1.00 0.00 C ATOM 198 C ASP A 14 -4.774 2.721 -8.386 1.00 0.00 C ATOM 199 O ASP A 14 -5.912 3.128 -8.634 1.00 0.00 O ATOM 200 CB ASP A 14 -3.308 1.330 -9.818 1.00 0.00 C ATOM 201 CG ASP A 14 -2.730 1.254 -11.218 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.537 1.563 -11.414 1.00 0.00 O ATOM 203 OD2 ASP A 14 -3.487 0.913 -12.149 1.00 0.00 O ATOM 0 H ASP A 14 -1.744 2.921 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.091 3.278 -10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.578 0.956 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.184 0.685 -9.748 1.00 0.00 H new ATOM 208 N ILE A 15 -4.438 2.177 -7.215 1.00 0.00 N ATOM 209 CA ILE A 15 -5.384 1.938 -6.136 1.00 0.00 C ATOM 210 C ILE A 15 -5.511 3.241 -5.353 1.00 0.00 C ATOM 211 O ILE A 15 -4.758 3.492 -4.415 1.00 0.00 O ATOM 212 CB ILE A 15 -4.899 0.738 -5.286 1.00 0.00 C ATOM 213 CG1 ILE A 15 -4.790 -0.567 -6.109 1.00 0.00 C ATOM 214 CG2 ILE A 15 -5.774 0.463 -4.053 1.00 0.00 C ATOM 215 CD1 ILE A 15 -6.123 -1.167 -6.584 1.00 0.00 C ATOM 0 H ILE A 15 -3.486 1.888 -6.991 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.375 1.664 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.908 1.040 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.168 -0.373 -6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.271 -1.313 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.374 -0.391 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.776 1.340 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.793 0.245 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.931 -2.078 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.745 -1.401 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.640 -0.448 -7.219 1.00 0.00 H new ATOM 227 N ARG A 16 -6.507 4.054 -5.715 1.00 0.00 N ATOM 228 CA ARG A 16 -6.793 5.322 -5.047 1.00 0.00 C ATOM 229 C ARG A 16 -8.269 5.432 -4.690 1.00 0.00 C ATOM 230 O ARG A 16 -8.980 6.324 -5.151 1.00 0.00 O ATOM 231 CB ARG A 16 -6.224 6.501 -5.850 1.00 0.00 C ATOM 232 CG ARG A 16 -4.690 6.485 -5.785 1.00 0.00 C ATOM 233 CD ARG A 16 -4.086 7.820 -6.207 1.00 0.00 C ATOM 234 NE ARG A 16 -4.140 8.034 -7.663 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.038 9.232 -8.246 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.204 10.340 -7.534 1.00 0.00 N ATOM 237 NH2 ARG A 16 -3.774 9.321 -9.543 1.00 0.00 N ATOM 0 H ARG A 16 -7.141 3.847 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.275 5.358 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.553 6.439 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.604 7.441 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.373 6.249 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.308 5.694 -6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.617 8.629 -5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.049 7.866 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.263 7.218 -8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.410 10.279 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.125 11.252 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.648 8.474 -10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.697 10.236 -9.986 1.00 0.00 H new ATOM 251 N LYS A 17 -8.723 4.426 -3.945 1.00 0.00 N ATOM 252 CA LYS A 17 -10.048 4.336 -3.336 1.00 0.00 C ATOM 253 C LYS A 17 -9.875 4.950 -1.941 1.00 0.00 C ATOM 254 O LYS A 17 -8.736 5.212 -1.546 1.00 0.00 O ATOM 255 CB LYS A 17 -10.477 2.863 -3.165 1.00 0.00 C ATOM 256 CG LYS A 17 -10.751 2.026 -4.425 1.00 0.00 C ATOM 257 CD LYS A 17 -9.516 1.761 -5.298 1.00 0.00 C ATOM 258 CE LYS A 17 -9.741 0.630 -6.307 1.00 0.00 C ATOM 259 NZ LYS A 17 -10.765 0.971 -7.312 1.00 0.00 N ATOM 0 H LYS A 17 -8.147 3.610 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.800 4.835 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.700 2.356 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.381 2.850 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.179 1.070 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.503 2.536 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.251 2.673 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.670 1.509 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.801 0.404 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.043 -0.273 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.882 0.176 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.670 1.161 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.467 1.817 -7.838 1.00 0.00 H new ATOM 273 N GLU A 18 -10.942 5.105 -1.149 1.00 0.00 N ATOM 274 CA GLU A 18 -10.800 5.556 0.245 1.00 0.00 C ATOM 275 C GLU A 18 -9.837 4.576 0.925 1.00 0.00 C ATOM 276 O GLU A 18 -8.821 4.954 1.509 1.00 0.00 O ATOM 277 CB GLU A 18 -12.165 5.567 0.944 1.00 0.00 C ATOM 278 CG GLU A 18 -12.090 5.974 2.420 1.00 0.00 C ATOM 279 CD GLU A 18 -12.060 7.486 2.622 1.00 0.00 C ATOM 280 OE1 GLU A 18 -11.150 8.147 2.078 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.987 7.994 3.301 1.00 0.00 O ATOM 0 H GLU A 18 -11.903 4.928 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.412 6.573 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.828 6.254 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.611 4.575 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.948 5.559 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.198 5.536 2.867 1.00 0.00 H new ATOM 288 N LYS A 19 -10.168 3.293 0.804 1.00 0.00 N ATOM 289 CA LYS A 19 -9.364 2.168 1.225 1.00 0.00 C ATOM 290 C LYS A 19 -9.697 1.047 0.254 1.00 0.00 C ATOM 291 O LYS A 19 -10.765 1.061 -0.368 1.00 0.00 O ATOM 292 CB LYS A 19 -9.542 1.786 2.704 1.00 0.00 C ATOM 293 CG LYS A 19 -10.763 0.927 3.056 1.00 0.00 C ATOM 294 CD LYS A 19 -12.078 1.707 3.183 1.00 0.00 C ATOM 295 CE LYS A 19 -12.145 2.509 4.487 1.00 0.00 C ATOM 296 NZ LYS A 19 -12.153 1.641 5.684 1.00 0.00 N ATOM 0 H LYS A 19 -11.053 3.004 0.387 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.303 2.415 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.648 1.253 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.594 2.705 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.883 0.160 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.569 0.412 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.181 2.384 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.917 1.013 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.292 3.186 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.043 3.127 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.711 2.092 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.575 0.722 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.178 1.498 6.015 1.00 0.00 H new ATOM 310 N ALA A 20 -8.795 0.099 0.098 1.00 0.00 N ATOM 311 CA ALA A 20 -8.934 -1.023 -0.797 1.00 0.00 C ATOM 312 C ALA A 20 -8.271 -2.198 -0.107 1.00 0.00 C ATOM 313 O ALA A 20 -7.151 -2.067 0.383 1.00 0.00 O ATOM 314 CB ALA A 20 -8.232 -0.682 -2.111 1.00 0.00 C ATOM 0 H ALA A 20 -7.914 0.092 0.612 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.974 -1.259 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.326 -1.520 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.691 0.204 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.177 -0.486 -1.920 1.00 0.00 H new ATOM 320 N ASP A 21 -8.934 -3.341 -0.117 1.00 0.00 N ATOM 321 CA ASP A 21 -8.412 -4.601 0.388 1.00 0.00 C ATOM 322 C ASP A 21 -7.823 -5.209 -0.874 1.00 0.00 C ATOM 323 O ASP A 21 -8.566 -5.354 -1.840 1.00 0.00 O ATOM 324 CB ASP A 21 -9.561 -5.491 0.899 1.00 0.00 C ATOM 325 CG ASP A 21 -10.186 -5.068 2.227 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.381 -3.863 2.512 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.556 -5.957 3.021 1.00 0.00 O ATOM 0 H ASP A 21 -9.881 -3.421 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.711 -4.492 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.344 -5.513 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.188 -6.510 1.002 1.00 0.00 H new ATOM 332 N VAL A 22 -6.516 -5.455 -0.955 1.00 0.00 N ATOM 333 CA VAL A 22 -5.906 -5.915 -2.199 1.00 0.00 C ATOM 334 C VAL A 22 -5.082 -7.181 -1.968 1.00 0.00 C ATOM 335 O VAL A 22 -4.399 -7.295 -0.952 1.00 0.00 O ATOM 336 CB VAL A 22 -5.112 -4.769 -2.864 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.898 -3.451 -2.959 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.783 -4.431 -2.167 1.00 0.00 C ATOM 0 H VAL A 22 -5.864 -5.344 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.688 -6.196 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.917 -5.174 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.279 -2.692 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.800 -3.607 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.173 -3.118 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.290 -3.617 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.978 -4.128 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.137 -5.309 -2.170 1.00 0.00 H new ATOM 348 N LEU A 23 -5.093 -8.097 -2.940 1.00 0.00 N ATOM 349 CA LEU A 23 -4.276 -9.310 -2.904 1.00 0.00 C ATOM 350 C LEU A 23 -3.055 -9.117 -3.771 1.00 0.00 C ATOM 351 O LEU A 23 -3.183 -8.603 -4.883 1.00 0.00 O ATOM 352 CB LEU A 23 -5.019 -10.530 -3.469 1.00 0.00 C ATOM 353 CG LEU A 23 -6.018 -11.235 -2.537 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.951 -12.733 -2.808 1.00 0.00 C ATOM 355 CD2 LEU A 23 -5.787 -11.050 -1.039 1.00 0.00 C ATOM 0 H LEU A 23 -5.671 -8.017 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.023 -9.486 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.556 -10.215 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.276 -11.262 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.981 -10.776 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.653 -13.252 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.211 -12.926 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.941 -13.093 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.552 -11.592 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.803 -11.436 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.841 -9.990 -0.791 1.00 0.00 H new ATOM 367 N CYS A 24 -1.915 -9.625 -3.310 1.00 0.00 N ATOM 368 CA CYS A 24 -0.665 -9.632 -4.043 1.00 0.00 C ATOM 369 C CYS A 24 -0.329 -11.096 -4.381 1.00 0.00 C ATOM 370 O CYS A 24 0.391 -11.743 -3.614 1.00 0.00 O ATOM 371 CB CYS A 24 0.420 -8.925 -3.213 1.00 0.00 C ATOM 372 SG CYS A 24 1.856 -8.296 -4.134 1.00 0.00 S ATOM 0 H CYS A 24 -1.840 -10.054 -2.388 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.734 -9.080 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.042 -8.090 -2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.778 -9.621 -2.454 1.00 0.00 H new ATOM 377 N PRO A 25 -0.863 -11.645 -5.490 1.00 0.00 N ATOM 378 CA PRO A 25 -0.517 -12.971 -5.965 1.00 0.00 C ATOM 379 C PRO A 25 0.886 -12.976 -6.557 1.00 0.00 C ATOM 380 O PRO A 25 1.306 -12.042 -7.244 1.00 0.00 O ATOM 381 CB PRO A 25 -1.545 -13.324 -7.033 1.00 0.00 C ATOM 382 CG PRO A 25 -1.954 -11.962 -7.589 1.00 0.00 C ATOM 383 CD PRO A 25 -1.822 -11.032 -6.387 1.00 0.00 C ATOM 0 HA PRO A 25 -0.526 -13.696 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.119 -13.963 -7.806 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.396 -13.859 -6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.306 -11.652 -8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.973 -11.976 -7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.484 -10.043 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.784 -10.899 -5.893 1.00 0.00 H new ATOM 391 N GLY A 26 1.549 -14.109 -6.405 1.00 0.00 N ATOM 392 CA GLY A 26 2.940 -14.301 -6.765 1.00 0.00 C ATOM 393 C GLY A 26 3.793 -14.058 -5.524 1.00 0.00 C ATOM 394 O GLY A 26 3.268 -13.964 -4.410 1.00 0.00 O ATOM 0 H GLY A 26 1.118 -14.947 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.099 -15.311 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.224 -13.614 -7.562 1.00 0.00 H new ATOM 398 N GLY A 27 5.110 -13.997 -5.706 1.00 0.00 N ATOM 399 CA GLY A 27 6.053 -13.790 -4.621 1.00 0.00 C ATOM 400 C GLY A 27 6.527 -12.348 -4.495 1.00 0.00 C ATOM 401 O GLY A 27 7.026 -11.998 -3.427 1.00 0.00 O ATOM 0 H GLY A 27 5.552 -14.091 -6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.588 -14.095 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.917 -14.436 -4.773 1.00 0.00 H new ATOM 405 N CYS A 28 6.319 -11.510 -5.523 1.00 0.00 N ATOM 406 CA CYS A 28 6.806 -10.136 -5.653 1.00 0.00 C ATOM 407 C CYS A 28 8.260 -10.015 -5.156 1.00 0.00 C ATOM 408 O CYS A 28 8.486 -9.559 -4.030 1.00 0.00 O ATOM 409 CB CYS A 28 5.843 -9.134 -4.996 1.00 0.00 C ATOM 410 SG CYS A 28 6.057 -7.440 -5.611 1.00 0.00 S ATOM 0 H CYS A 28 5.771 -11.796 -6.334 1.00 0.00 H new ATOM 0 HA CYS A 28 6.826 -9.873 -6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.816 -9.453 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.996 -9.145 -3.917 1.00 0.00 H new ATOM 415 N PRO A 29 9.248 -10.478 -5.943 1.00 0.00 N ATOM 416 CA PRO A 29 10.638 -10.522 -5.512 1.00 0.00 C ATOM 417 C PRO A 29 11.167 -9.105 -5.291 1.00 0.00 C ATOM 418 O PRO A 29 10.709 -8.172 -5.953 1.00 0.00 O ATOM 419 CB PRO A 29 11.389 -11.243 -6.636 1.00 0.00 C ATOM 420 CG PRO A 29 10.565 -10.905 -7.878 1.00 0.00 C ATOM 421 CD PRO A 29 9.134 -10.859 -7.343 1.00 0.00 C ATOM 0 HA PRO A 29 10.765 -11.044 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.416 -10.889 -6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.436 -12.318 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.864 -9.951 -8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.680 -11.660 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.532 -10.139 -7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.646 -11.828 -7.446 1.00 0.00 H new ATOM 429 N LEU A 30 12.165 -8.944 -4.414 1.00 0.00 N ATOM 430 CA LEU A 30 12.822 -7.665 -4.135 1.00 0.00 C ATOM 431 C LEU A 30 13.798 -7.362 -5.282 1.00 0.00 C ATOM 432 O LEU A 30 15.014 -7.270 -5.100 1.00 0.00 O ATOM 433 CB LEU A 30 13.553 -7.765 -2.778 1.00 0.00 C ATOM 434 CG LEU A 30 12.609 -7.850 -1.564 1.00 0.00 C ATOM 435 CD1 LEU A 30 13.335 -8.403 -0.337 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.059 -6.472 -1.213 1.00 0.00 C ATOM 0 H LEU A 30 12.545 -9.717 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 30 12.098 -6.853 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.197 -8.645 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.202 -6.897 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 30 11.794 -8.520 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.643 -8.451 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.710 -9.403 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.170 -7.750 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.394 -6.554 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.884 -5.802 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.505 -6.074 -2.063 1.00 0.00 H new ATOM 448 N GLU A 31 13.215 -7.206 -6.463 1.00 0.00 N ATOM 449 CA GLU A 31 13.784 -6.900 -7.757 1.00 0.00 C ATOM 450 C GLU A 31 13.649 -5.394 -7.969 1.00 0.00 C ATOM 451 O GLU A 31 14.631 -4.659 -7.872 1.00 0.00 O ATOM 452 CB GLU A 31 13.021 -7.765 -8.773 1.00 0.00 C ATOM 453 CG GLU A 31 13.457 -7.613 -10.230 1.00 0.00 C ATOM 454 CD GLU A 31 12.529 -8.457 -11.105 1.00 0.00 C ATOM 455 OE1 GLU A 31 12.832 -9.655 -11.329 1.00 0.00 O ATOM 456 OE2 GLU A 31 11.445 -7.960 -11.483 1.00 0.00 O ATOM 0 H GLU A 31 12.203 -7.305 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 31 14.845 -7.130 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.131 -8.811 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.960 -7.525 -8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.413 -6.566 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.491 -7.937 -10.352 1.00 0.00 H new ATOM 463 N GLU A 32 12.414 -4.925 -8.176 1.00 0.00 N ATOM 464 CA GLU A 32 12.092 -3.516 -8.306 1.00 0.00 C ATOM 465 C GLU A 32 11.133 -3.111 -7.189 1.00 0.00 C ATOM 466 O GLU A 32 9.911 -3.157 -7.360 1.00 0.00 O ATOM 467 CB GLU A 32 11.412 -3.226 -9.652 1.00 0.00 C ATOM 468 CG GLU A 32 12.273 -3.294 -10.913 1.00 0.00 C ATOM 469 CD GLU A 32 11.390 -2.826 -12.071 1.00 0.00 C ATOM 470 OE1 GLU A 32 11.298 -1.593 -12.279 1.00 0.00 O ATOM 471 OE2 GLU A 32 10.628 -3.659 -12.612 1.00 0.00 O ATOM 0 H GLU A 32 11.600 -5.534 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 32 13.022 -2.950 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.588 -3.930 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.974 -2.229 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.153 -2.659 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.630 -4.310 -11.084 1.00 0.00 H new ATOM 478 N PHE A 33 11.658 -2.703 -6.036 1.00 0.00 N ATOM 479 CA PHE A 33 10.837 -2.156 -4.966 1.00 0.00 C ATOM 480 C PHE A 33 11.325 -0.729 -4.828 1.00 0.00 C ATOM 481 O PHE A 33 12.444 -0.481 -4.380 1.00 0.00 O ATOM 482 CB PHE A 33 10.932 -2.926 -3.642 1.00 0.00 C ATOM 483 CG PHE A 33 10.092 -4.184 -3.479 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.846 -5.088 -4.529 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.515 -4.436 -2.220 1.00 0.00 C ATOM 486 CE1 PHE A 33 9.034 -6.212 -4.311 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.719 -5.569 -1.995 1.00 0.00 C ATOM 488 CZ PHE A 33 8.490 -6.468 -3.044 1.00 0.00 C ATOM 0 H PHE A 33 12.654 -2.743 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 33 9.777 -2.228 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.976 -3.201 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.664 -2.240 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.282 -4.917 -5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 33 9.689 -3.743 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.826 -6.887 -5.128 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.287 -5.746 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.897 -7.355 -2.878 1.00 0.00 H new ATOM 498 N SER A 34 10.459 0.216 -5.170 1.00 0.00 N ATOM 499 CA SER A 34 10.737 1.633 -5.117 1.00 0.00 C ATOM 500 C SER A 34 9.615 2.210 -4.277 1.00 0.00 C ATOM 501 O SER A 34 8.427 1.962 -4.530 1.00 0.00 O ATOM 502 CB SER A 34 10.798 2.195 -6.546 1.00 0.00 C ATOM 503 OG SER A 34 11.414 3.468 -6.579 1.00 0.00 O ATOM 0 H SER A 34 9.518 0.004 -5.501 1.00 0.00 H new ATOM 0 HA SER A 34 11.700 1.886 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.350 1.506 -7.185 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.789 2.268 -6.952 1.00 0.00 H new ATOM 0 HG SER A 34 10.757 4.143 -6.850 1.00 0.00 H new ATOM 509 N VAL A 35 10.004 2.909 -3.220 1.00 0.00 N ATOM 510 CA VAL A 35 9.103 3.433 -2.220 1.00 0.00 C ATOM 511 C VAL A 35 9.500 4.890 -1.998 1.00 0.00 C ATOM 512 O VAL A 35 10.646 5.283 -2.246 1.00 0.00 O ATOM 513 CB VAL A 35 9.194 2.521 -0.975 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.152 2.873 0.079 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.936 1.048 -1.329 1.00 0.00 C ATOM 0 H VAL A 35 10.983 3.130 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 35 8.052 3.431 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 35 10.204 2.673 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.258 2.204 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.298 3.903 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.154 2.764 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.009 0.439 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.939 0.946 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.678 0.713 -2.054 1.00 0.00 H new ATOM 525 N TYR A 36 8.552 5.711 -1.554 1.00 0.00 N ATOM 526 CA TYR A 36 8.746 7.138 -1.420 1.00 0.00 C ATOM 527 C TYR A 36 8.001 7.601 -0.170 1.00 0.00 C ATOM 528 O TYR A 36 6.775 7.505 -0.133 1.00 0.00 O ATOM 529 CB TYR A 36 8.272 7.860 -2.688 1.00 0.00 C ATOM 530 CG TYR A 36 8.844 7.411 -4.023 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.423 6.196 -4.595 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.774 8.218 -4.710 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.005 5.721 -5.780 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.348 7.760 -5.911 1.00 0.00 C ATOM 535 CZ TYR A 36 9.994 6.492 -6.428 1.00 0.00 C ATOM 536 OH TYR A 36 10.613 6.009 -7.536 1.00 0.00 O ATOM 0 H TYR A 36 7.623 5.395 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 36 9.803 7.380 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.187 7.764 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.493 8.921 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.643 5.623 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.046 9.186 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.698 4.772 -6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.060 8.378 -6.438 1.00 0.00 H new ATOM 0 HH TYR A 36 11.266 6.665 -7.858 1.00 0.00 H new ATOM 546 N GLY A 37 8.735 8.066 0.844 1.00 0.00 N ATOM 547 CA GLY A 37 8.224 8.479 2.144 1.00 0.00 C ATOM 548 C GLY A 37 7.972 7.282 3.056 1.00 0.00 C ATOM 549 O GLY A 37 7.709 6.181 2.563 1.00 0.00 O ATOM 0 H GLY A 37 9.747 8.168 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.937 9.154 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.297 9.037 2.011 1.00 0.00 H new ATOM 553 N ASN A 38 8.121 7.468 4.375 1.00 0.00 N ATOM 554 CA ASN A 38 7.793 6.472 5.404 1.00 0.00 C ATOM 555 C ASN A 38 6.395 6.733 5.981 1.00 0.00 C ATOM 556 O ASN A 38 6.072 7.883 6.296 1.00 0.00 O ATOM 557 CB ASN A 38 8.867 6.399 6.493 1.00 0.00 C ATOM 558 CG ASN A 38 8.769 7.471 7.574 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.029 8.652 7.340 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.445 7.056 8.786 1.00 0.00 N ATOM 0 H ASN A 38 8.482 8.338 4.766 1.00 0.00 H new ATOM 0 HA ASN A 38 7.776 5.491 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.813 5.420 6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.847 6.471 6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.405 7.720 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.235 6.071 8.949 1.00 0.00 H new ATOM 567 N ILE A 39 5.636 5.660 6.246 1.00 0.00 N ATOM 568 CA ILE A 39 4.229 5.604 6.661 1.00 0.00 C ATOM 569 C ILE A 39 3.323 6.199 5.571 1.00 0.00 C ATOM 570 O ILE A 39 2.372 5.534 5.150 1.00 0.00 O ATOM 571 CB ILE A 39 3.992 6.123 8.096 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.340 5.025 9.123 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.554 6.605 8.336 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.260 3.934 9.220 1.00 0.00 C ATOM 0 H ILE A 39 6.030 4.722 6.167 1.00 0.00 H new ATOM 0 HA ILE A 39 3.933 4.559 6.747 1.00 0.00 H new ATOM 0 HB ILE A 39 4.647 6.985 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.290 4.566 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.478 5.481 10.103 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.455 6.957 9.363 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.324 7.420 7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.861 5.781 8.166 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.560 3.190 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.314 4.384 9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.139 3.454 8.249 1.00 0.00 H new ATOM 586 N VAL A 40 3.578 7.438 5.156 1.00 0.00 N ATOM 587 CA VAL A 40 2.926 8.116 4.051 1.00 0.00 C ATOM 588 C VAL A 40 3.717 7.710 2.809 1.00 0.00 C ATOM 589 O VAL A 40 4.742 8.316 2.482 1.00 0.00 O ATOM 590 CB VAL A 40 2.941 9.638 4.283 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.463 10.442 3.061 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.041 9.992 5.473 1.00 0.00 C ATOM 0 H VAL A 40 4.282 8.021 5.608 1.00 0.00 H new ATOM 0 HA VAL A 40 1.877 7.842 3.945 1.00 0.00 H new ATOM 0 HB VAL A 40 3.979 9.907 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.498 11.507 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.112 10.232 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.440 10.157 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.056 11.070 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.021 9.670 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.406 9.488 6.368 1.00 0.00 H new ATOM 602 N TYR A 41 3.248 6.669 2.133 1.00 0.00 N ATOM 603 CA TYR A 41 3.786 6.224 0.868 1.00 0.00 C ATOM 604 C TYR A 41 3.214 7.177 -0.166 1.00 0.00 C ATOM 605 O TYR A 41 1.995 7.248 -0.322 1.00 0.00 O ATOM 606 CB TYR A 41 3.368 4.769 0.591 1.00 0.00 C ATOM 607 CG TYR A 41 3.926 3.781 1.597 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.301 3.500 1.599 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.114 3.268 2.624 1.00 0.00 C ATOM 610 CE1 TYR A 41 5.876 2.743 2.636 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.684 2.534 3.683 1.00 0.00 C ATOM 612 CZ TYR A 41 5.075 2.289 3.704 1.00 0.00 C ATOM 613 OH TYR A 41 5.654 1.732 4.801 1.00 0.00 O ATOM 0 H TYR A 41 2.466 6.103 2.462 1.00 0.00 H new ATOM 0 HA TYR A 41 4.876 6.234 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.280 4.704 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.701 4.487 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.923 3.868 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.048 3.438 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.930 2.510 2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.057 2.159 4.479 1.00 0.00 H new ATOM 0 HH TYR A 41 6.613 1.933 4.802 1.00 0.00 H new ATOM 623 N ALA A 42 4.041 7.983 -0.828 1.00 0.00 N ATOM 624 CA ALA A 42 3.518 8.794 -1.917 1.00 0.00 C ATOM 625 C ALA A 42 3.014 7.826 -2.989 1.00 0.00 C ATOM 626 O ALA A 42 3.580 6.741 -3.163 1.00 0.00 O ATOM 627 CB ALA A 42 4.583 9.720 -2.475 1.00 0.00 C ATOM 0 H ALA A 42 5.038 8.089 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 42 2.710 9.434 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.161 10.312 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.937 10.385 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.417 9.129 -2.853 1.00 0.00 H new ATOM 633 N SER A 43 1.997 8.248 -3.735 1.00 0.00 N ATOM 634 CA SER A 43 1.264 7.466 -4.722 1.00 0.00 C ATOM 635 C SER A 43 2.163 6.642 -5.661 1.00 0.00 C ATOM 636 O SER A 43 1.841 5.495 -5.946 1.00 0.00 O ATOM 637 CB SER A 43 0.329 8.455 -5.429 1.00 0.00 C ATOM 638 OG SER A 43 -0.521 7.883 -6.386 1.00 0.00 O ATOM 0 H SER A 43 1.643 9.202 -3.661 1.00 0.00 H new ATOM 0 HA SER A 43 0.682 6.679 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.280 8.957 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.934 9.221 -5.913 1.00 0.00 H new ATOM 0 HG SER A 43 -0.894 7.048 -6.035 1.00 0.00 H new ATOM 644 N VAL A 44 3.314 7.157 -6.098 1.00 0.00 N ATOM 645 CA VAL A 44 4.223 6.452 -7.005 1.00 0.00 C ATOM 646 C VAL A 44 4.836 5.165 -6.410 1.00 0.00 C ATOM 647 O VAL A 44 5.334 4.337 -7.172 1.00 0.00 O ATOM 648 CB VAL A 44 5.258 7.479 -7.520 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.010 8.198 -6.386 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.247 6.909 -8.545 1.00 0.00 C ATOM 0 H VAL A 44 3.645 8.084 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 44 3.661 6.058 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 44 4.653 8.220 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.721 8.905 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.297 8.734 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.545 7.465 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.939 7.691 -8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.806 6.089 -8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.700 6.542 -9.413 1.00 0.00 H new ATOM 660 N SER A 45 4.789 4.959 -5.091 1.00 0.00 N ATOM 661 CA SER A 45 5.367 3.783 -4.448 1.00 0.00 C ATOM 662 C SER A 45 4.676 2.492 -4.903 1.00 0.00 C ATOM 663 O SER A 45 3.459 2.468 -5.110 1.00 0.00 O ATOM 664 CB SER A 45 5.235 3.900 -2.923 1.00 0.00 C ATOM 665 OG SER A 45 5.717 5.140 -2.434 1.00 0.00 O ATOM 0 H SER A 45 4.347 5.607 -4.440 1.00 0.00 H new ATOM 0 HA SER A 45 6.417 3.738 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.189 3.783 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.785 3.087 -2.450 1.00 0.00 H new ATOM 0 HG SER A 45 5.052 5.839 -2.604 1.00 0.00 H new ATOM 671 N SER A 46 5.451 1.410 -5.008 1.00 0.00 N ATOM 672 CA SER A 46 4.931 0.079 -5.292 1.00 0.00 C ATOM 673 C SER A 46 4.024 -0.338 -4.129 1.00 0.00 C ATOM 674 O SER A 46 4.324 -0.007 -2.977 1.00 0.00 O ATOM 675 CB SER A 46 6.117 -0.886 -5.412 1.00 0.00 C ATOM 676 OG SER A 46 5.679 -2.222 -5.554 1.00 0.00 O ATOM 0 H SER A 46 6.465 1.438 -4.897 1.00 0.00 H new ATOM 0 HA SER A 46 4.360 0.066 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.729 -0.608 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.749 -0.800 -4.528 1.00 0.00 H new ATOM 0 HG SER A 46 6.456 -2.815 -5.630 1.00 0.00 H new ATOM 682 N ILE A 47 2.946 -1.085 -4.395 1.00 0.00 N ATOM 683 CA ILE A 47 2.118 -1.628 -3.319 1.00 0.00 C ATOM 684 C ILE A 47 2.915 -2.716 -2.588 1.00 0.00 C ATOM 685 O ILE A 47 2.857 -2.738 -1.360 1.00 0.00 O ATOM 686 CB ILE A 47 0.735 -2.092 -3.837 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.088 -0.833 -4.212 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.043 -2.923 -2.797 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.416 -1.130 -4.917 1.00 0.00 C ATOM 0 H ILE A 47 2.632 -1.324 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 47 1.883 -0.849 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 47 0.895 -2.737 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.292 -0.264 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.518 -0.197 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.005 -3.221 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.532 -3.813 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.207 -2.324 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.926 -0.193 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.223 -1.670 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.045 -1.738 -4.267 1.00 0.00 H new ATOM 701 N CYS A 48 3.689 -3.567 -3.285 1.00 0.00 N ATOM 702 CA CYS A 48 4.559 -4.530 -2.602 1.00 0.00 C ATOM 703 C CYS A 48 5.559 -3.773 -1.740 1.00 0.00 C ATOM 704 O CYS A 48 5.704 -4.072 -0.557 1.00 0.00 O ATOM 705 CB CYS A 48 5.382 -5.400 -3.552 1.00 0.00 C ATOM 706 SG CYS A 48 4.528 -6.352 -4.802 1.00 0.00 S ATOM 0 H CYS A 48 3.728 -3.605 -4.304 1.00 0.00 H new ATOM 0 HA CYS A 48 3.895 -5.175 -2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.095 -4.751 -4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.961 -6.096 -2.945 1.00 0.00 H new ATOM 711 N GLY A 49 6.219 -2.784 -2.355 1.00 0.00 N ATOM 712 CA GLY A 49 7.163 -1.895 -1.710 1.00 0.00 C ATOM 713 C GLY A 49 6.602 -1.386 -0.395 1.00 0.00 C ATOM 714 O GLY A 49 7.170 -1.648 0.659 1.00 0.00 O ATOM 0 H GLY A 49 6.099 -2.583 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.102 -2.419 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.386 -1.054 -2.367 1.00 0.00 H new ATOM 718 N ALA A 50 5.470 -0.688 -0.459 1.00 0.00 N ATOM 719 CA ALA A 50 4.801 -0.131 0.698 1.00 0.00 C ATOM 720 C ALA A 50 4.442 -1.205 1.725 1.00 0.00 C ATOM 721 O ALA A 50 4.676 -1.000 2.912 1.00 0.00 O ATOM 722 CB ALA A 50 3.550 0.614 0.230 1.00 0.00 C ATOM 0 H ALA A 50 4.989 -0.494 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 50 5.481 0.560 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.036 1.039 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.837 1.414 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.884 -0.080 -0.284 1.00 0.00 H new ATOM 728 N ALA A 51 3.848 -2.322 1.297 1.00 0.00 N ATOM 729 CA ALA A 51 3.350 -3.357 2.194 1.00 0.00 C ATOM 730 C ALA A 51 4.492 -3.973 2.993 1.00 0.00 C ATOM 731 O ALA A 51 4.437 -4.010 4.224 1.00 0.00 O ATOM 732 CB ALA A 51 2.569 -4.408 1.397 1.00 0.00 C ATOM 0 H ALA A 51 3.700 -2.531 0.310 1.00 0.00 H new ATOM 0 HA ALA A 51 2.665 -2.910 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.200 -5.178 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.726 -3.932 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.224 -4.862 0.654 1.00 0.00 H new ATOM 738 N VAL A 52 5.512 -4.475 2.305 1.00 0.00 N ATOM 739 CA VAL A 52 6.641 -5.113 2.957 1.00 0.00 C ATOM 740 C VAL A 52 7.422 -4.074 3.781 1.00 0.00 C ATOM 741 O VAL A 52 7.790 -4.372 4.913 1.00 0.00 O ATOM 742 CB VAL A 52 7.458 -5.922 1.928 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.563 -6.741 2.607 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.586 -6.927 1.150 1.00 0.00 C ATOM 0 H VAL A 52 5.576 -4.450 1.287 1.00 0.00 H new ATOM 0 HA VAL A 52 6.315 -5.855 3.686 1.00 0.00 H new ATOM 0 HB VAL A 52 7.879 -5.180 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.118 -7.298 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.241 -6.070 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.116 -7.437 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.206 -7.472 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.131 -7.630 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.804 -6.391 0.613 1.00 0.00 H new ATOM 754 N HIS A 53 7.592 -2.832 3.306 1.00 0.00 N ATOM 755 CA HIS A 53 8.234 -1.752 4.068 1.00 0.00 C ATOM 756 C HIS A 53 7.490 -1.472 5.379 1.00 0.00 C ATOM 757 O HIS A 53 8.093 -1.430 6.454 1.00 0.00 O ATOM 758 CB HIS A 53 8.304 -0.493 3.193 1.00 0.00 C ATOM 759 CG HIS A 53 9.060 0.657 3.795 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.520 1.710 4.539 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.385 0.881 3.591 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.554 2.537 4.776 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.684 2.063 4.221 1.00 0.00 N ATOM 0 H HIS A 53 7.286 -2.547 2.376 1.00 0.00 H new ATOM 0 HA HIS A 53 9.244 -2.061 4.337 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.768 -0.755 2.242 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.288 -0.165 2.973 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.069 0.252 3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.486 3.458 5.336 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.602 2.505 4.261 1.00 0.00 H new ATOM 771 N ARG A 54 6.162 -1.331 5.317 1.00 0.00 N ATOM 772 CA ARG A 54 5.299 -1.146 6.484 1.00 0.00 C ATOM 773 C ARG A 54 5.386 -2.348 7.427 1.00 0.00 C ATOM 774 O ARG A 54 5.119 -2.184 8.615 1.00 0.00 O ATOM 775 CB ARG A 54 3.854 -0.912 5.994 1.00 0.00 C ATOM 776 CG ARG A 54 2.794 -0.662 7.085 1.00 0.00 C ATOM 777 CD ARG A 54 2.778 0.792 7.578 1.00 0.00 C ATOM 778 NE ARG A 54 2.144 0.926 8.904 1.00 0.00 N ATOM 779 CZ ARG A 54 0.945 1.438 9.220 1.00 0.00 C ATOM 780 NH1 ARG A 54 0.065 1.780 8.287 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.630 1.613 10.494 1.00 0.00 N ATOM 0 H ARG A 54 5.648 -1.343 4.436 1.00 0.00 H new ATOM 0 HA ARG A 54 5.630 -0.278 7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.857 -0.057 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.546 -1.780 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.809 -0.919 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.985 -1.325 7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.800 1.168 7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.244 1.412 6.858 1.00 0.00 H new ATOM 0 HE ARG A 54 2.695 0.581 9.690 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.293 1.656 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.839 2.167 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.296 1.359 11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.279 2.002 10.746 1.00 0.00 H new ATOM 795 N GLY A 55 5.754 -3.534 6.943 1.00 0.00 N ATOM 796 CA GLY A 55 5.740 -4.745 7.745 1.00 0.00 C ATOM 797 C GLY A 55 4.336 -5.335 7.803 1.00 0.00 C ATOM 798 O GLY A 55 3.915 -5.826 8.852 1.00 0.00 O ATOM 0 H GLY A 55 6.069 -3.676 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.430 -5.475 7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.089 -4.524 8.754 1.00 0.00 H new ATOM 802 N VAL A 56 3.573 -5.205 6.716 1.00 0.00 N ATOM 803 CA VAL A 56 2.265 -5.825 6.559 1.00 0.00 C ATOM 804 C VAL A 56 2.525 -7.314 6.353 1.00 0.00 C ATOM 805 O VAL A 56 2.170 -8.136 7.192 1.00 0.00 O ATOM 806 CB VAL A 56 1.519 -5.168 5.379 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.245 -5.903 4.980 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.136 -3.736 5.760 1.00 0.00 C ATOM 0 H VAL A 56 3.857 -4.654 5.906 1.00 0.00 H new ATOM 0 HA VAL A 56 1.622 -5.688 7.429 1.00 0.00 H new ATOM 0 HB VAL A 56 2.200 -5.199 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.227 -5.386 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.491 -6.923 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.441 -5.927 5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.608 -3.267 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.489 -3.754 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.037 -3.166 5.985 1.00 0.00 H new ATOM 818 N ILE A 57 3.201 -7.642 5.259 1.00 0.00 N ATOM 819 CA ILE A 57 3.620 -8.976 4.875 1.00 0.00 C ATOM 820 C ILE A 57 5.136 -8.946 4.702 1.00 0.00 C ATOM 821 O ILE A 57 5.763 -7.884 4.737 1.00 0.00 O ATOM 822 CB ILE A 57 2.916 -9.403 3.559 1.00 0.00 C ATOM 823 CG1 ILE A 57 2.962 -8.287 2.483 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.471 -9.844 3.843 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.771 -8.792 1.050 1.00 0.00 C ATOM 0 H ILE A 57 3.486 -6.938 4.578 1.00 0.00 H new ATOM 0 HA ILE A 57 3.345 -9.704 5.638 1.00 0.00 H new ATOM 0 HB ILE A 57 3.464 -10.253 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.188 -7.552 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.920 -7.771 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.991 -10.140 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.477 -10.688 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.919 -9.016 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.816 -7.951 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.560 -9.504 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.801 -9.281 0.963 1.00 0.00 H new ATOM 837 N SER A 58 5.738 -10.117 4.596 1.00 0.00 N ATOM 838 CA SER A 58 7.144 -10.299 4.285 1.00 0.00 C ATOM 839 C SER A 58 7.243 -10.426 2.758 1.00 0.00 C ATOM 840 O SER A 58 6.220 -10.369 2.066 1.00 0.00 O ATOM 841 CB SER A 58 7.662 -11.522 5.037 1.00 0.00 C ATOM 842 OG SER A 58 7.675 -11.242 6.429 1.00 0.00 O ATOM 0 H SER A 58 5.243 -10.999 4.729 1.00 0.00 H new ATOM 0 HA SER A 58 7.767 -9.463 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.028 -12.385 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.665 -11.776 4.695 1.00 0.00 H new ATOM 0 HG SER A 58 8.005 -12.025 6.917 1.00 0.00 H new ATOM 848 N ASN A 59 8.461 -10.537 2.221 1.00 0.00 N ATOM 849 CA ASN A 59 8.734 -10.789 0.803 1.00 0.00 C ATOM 850 C ASN A 59 8.181 -12.172 0.405 1.00 0.00 C ATOM 851 O ASN A 59 8.918 -13.144 0.228 1.00 0.00 O ATOM 852 CB ASN A 59 10.259 -10.691 0.625 1.00 0.00 C ATOM 853 CG ASN A 59 10.808 -11.184 -0.709 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.247 -10.828 -1.849 1.00 0.00 O flip ATOM 855 ND2 ASN A 59 11.798 -11.912 -0.708 1.00 0.00 N flip ATOM 0 H ASN A 59 9.311 -10.451 2.778 1.00 0.00 H new ATOM 0 HA ASN A 59 8.245 -10.064 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.554 -9.650 0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.736 -11.259 1.424 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.229 -12.185 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.189 -12.243 -1.590 1.00 0.00 H new ATOM 862 N SER A 60 6.858 -12.272 0.296 1.00 0.00 N ATOM 863 CA SER A 60 6.123 -13.503 0.066 1.00 0.00 C ATOM 864 C SER A 60 4.851 -13.334 -0.775 1.00 0.00 C ATOM 865 O SER A 60 4.493 -14.273 -1.485 1.00 0.00 O ATOM 866 CB SER A 60 5.787 -14.077 1.452 1.00 0.00 C ATOM 867 OG SER A 60 5.501 -15.454 1.399 1.00 0.00 O ATOM 0 H SER A 60 6.247 -11.459 0.370 1.00 0.00 H new ATOM 0 HA SER A 60 6.746 -14.176 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.625 -13.907 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.931 -13.545 1.867 1.00 0.00 H new ATOM 0 HG SER A 60 5.294 -15.780 2.300 1.00 0.00 H new ATOM 873 N GLY A 61 4.187 -12.172 -0.737 1.00 0.00 N ATOM 874 CA GLY A 61 2.886 -11.945 -1.383 1.00 0.00 C ATOM 875 C GLY A 61 1.804 -12.023 -0.291 1.00 0.00 C ATOM 876 O GLY A 61 2.163 -12.107 0.888 1.00 0.00 O ATOM 0 H GLY A 61 4.543 -11.350 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.866 -10.971 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.706 -12.693 -2.155 1.00 0.00 H new ATOM 880 N GLY A 62 0.506 -11.973 -0.617 1.00 0.00 N ATOM 881 CA GLY A 62 -0.566 -12.118 0.376 1.00 0.00 C ATOM 882 C GLY A 62 -1.556 -10.947 0.386 1.00 0.00 C ATOM 883 O GLY A 62 -1.451 -10.048 -0.454 1.00 0.00 O ATOM 0 H GLY A 62 0.171 -11.832 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.110 -13.041 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.122 -12.216 1.366 1.00 0.00 H new ATOM 887 N PRO A 63 -2.543 -10.962 1.303 1.00 0.00 N ATOM 888 CA PRO A 63 -3.559 -9.928 1.427 1.00 0.00 C ATOM 889 C PRO A 63 -3.011 -8.684 2.123 1.00 0.00 C ATOM 890 O PRO A 63 -2.170 -8.754 3.023 1.00 0.00 O ATOM 891 CB PRO A 63 -4.670 -10.559 2.268 1.00 0.00 C ATOM 892 CG PRO A 63 -3.887 -11.454 3.218 1.00 0.00 C ATOM 893 CD PRO A 63 -2.771 -11.984 2.315 1.00 0.00 C ATOM 0 HA PRO A 63 -3.911 -9.600 0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.252 -9.808 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.370 -11.128 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.493 -10.899 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.503 -12.259 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.863 -12.172 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.059 -12.929 1.855 1.00 0.00 H new ATOM 901 N VAL A 64 -3.538 -7.535 1.719 1.00 0.00 N ATOM 902 CA VAL A 64 -3.108 -6.213 2.145 1.00 0.00 C ATOM 903 C VAL A 64 -4.355 -5.307 2.189 1.00 0.00 C ATOM 904 O VAL A 64 -5.412 -5.647 1.648 1.00 0.00 O ATOM 905 CB VAL A 64 -2.021 -5.734 1.136 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.450 -4.365 1.457 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.819 -6.689 0.991 1.00 0.00 C ATOM 0 H VAL A 64 -4.312 -7.500 1.055 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.664 -6.197 3.140 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.581 -5.704 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.700 -4.100 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.250 -3.625 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.989 -4.386 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.113 -6.278 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.327 -6.803 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.167 -7.662 0.644 1.00 0.00 H new ATOM 917 N ARG A 65 -4.266 -4.140 2.832 1.00 0.00 N ATOM 918 CA ARG A 65 -5.300 -3.108 2.853 1.00 0.00 C ATOM 919 C ARG A 65 -4.624 -1.755 2.706 1.00 0.00 C ATOM 920 O ARG A 65 -3.967 -1.274 3.631 1.00 0.00 O ATOM 921 CB ARG A 65 -6.201 -3.173 4.094 1.00 0.00 C ATOM 922 CG ARG A 65 -7.326 -2.121 3.972 1.00 0.00 C ATOM 923 CD ARG A 65 -8.382 -2.214 5.076 1.00 0.00 C ATOM 924 NE ARG A 65 -9.099 -3.493 5.007 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.977 -4.529 5.843 1.00 0.00 C ATOM 926 NH1 ARG A 65 -8.265 -4.447 6.955 1.00 0.00 N ATOM 927 NH2 ARG A 65 -9.555 -5.685 5.563 1.00 0.00 N ATOM 0 H ARG A 65 -3.440 -3.880 3.372 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.978 -3.278 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.630 -4.170 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.613 -2.989 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.883 -1.125 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.815 -2.236 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.905 -2.112 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.089 -1.390 4.979 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.761 -3.603 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.791 -3.576 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.190 -5.255 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.097 -5.790 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.458 -6.472 6.205 1.00 0.00 H new ATOM 941 N VAL A 66 -4.764 -1.152 1.535 1.00 0.00 N ATOM 942 CA VAL A 66 -4.297 0.191 1.229 1.00 0.00 C ATOM 943 C VAL A 66 -5.368 1.172 1.711 1.00 0.00 C ATOM 944 O VAL A 66 -6.556 0.892 1.589 1.00 0.00 O ATOM 945 CB VAL A 66 -4.097 0.293 -0.304 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.709 1.705 -0.770 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.021 -0.684 -0.813 1.00 0.00 C ATOM 0 H VAL A 66 -5.223 -1.602 0.743 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.352 0.420 1.721 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.069 0.035 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.584 1.709 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.494 2.408 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.773 2.000 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.915 -0.578 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.069 -0.461 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.316 -1.706 -0.576 1.00 0.00 H new ATOM 957 N TYR A 67 -4.951 2.323 2.230 1.00 0.00 N ATOM 958 CA TYR A 67 -5.770 3.459 2.629 1.00 0.00 C ATOM 959 C TYR A 67 -5.166 4.631 1.881 1.00 0.00 C ATOM 960 O TYR A 67 -3.973 4.892 2.056 1.00 0.00 O ATOM 961 CB TYR A 67 -5.707 3.725 4.138 1.00 0.00 C ATOM 962 CG TYR A 67 -6.604 2.844 4.973 1.00 0.00 C ATOM 963 CD1 TYR A 67 -6.146 1.612 5.474 1.00 0.00 C ATOM 964 CD2 TYR A 67 -7.898 3.296 5.283 1.00 0.00 C ATOM 965 CE1 TYR A 67 -6.991 0.828 6.280 1.00 0.00 C ATOM 966 CE2 TYR A 67 -8.753 2.505 6.064 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.303 1.268 6.567 1.00 0.00 C ATOM 968 OH TYR A 67 -9.132 0.520 7.342 1.00 0.00 O ATOM 0 H TYR A 67 -3.959 2.497 2.394 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.822 3.284 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.678 3.594 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.972 4.766 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.149 1.269 5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.235 4.255 4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.637 -0.111 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.756 2.844 6.280 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.891 1.068 7.633 1.00 0.00 H new ATOM 978 N SER A 68 -5.926 5.302 1.015 1.00 0.00 N ATOM 979 CA SER A 68 -5.401 6.504 0.386 1.00 0.00 C ATOM 980 C SER A 68 -5.151 7.554 1.465 1.00 0.00 C ATOM 981 O SER A 68 -5.711 7.501 2.567 1.00 0.00 O ATOM 982 CB SER A 68 -6.344 7.018 -0.693 1.00 0.00 C ATOM 983 OG SER A 68 -7.650 7.178 -0.178 1.00 0.00 O ATOM 0 H SER A 68 -6.874 5.042 0.743 1.00 0.00 H new ATOM 0 HA SER A 68 -4.459 6.274 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.980 7.971 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.361 6.321 -1.531 1.00 0.00 H new ATOM 0 HG SER A 68 -8.244 6.510 -0.579 1.00 0.00 H new ATOM 989 N LEU A 69 -4.248 8.479 1.180 1.00 0.00 N ATOM 990 CA LEU A 69 -3.891 9.549 2.083 1.00 0.00 C ATOM 991 C LEU A 69 -3.801 10.820 1.235 1.00 0.00 C ATOM 992 O LEU A 69 -3.306 10.740 0.108 1.00 0.00 O ATOM 993 CB LEU A 69 -2.620 9.084 2.811 1.00 0.00 C ATOM 994 CG LEU A 69 -2.327 9.783 4.136 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.519 8.820 5.015 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.581 11.105 3.962 1.00 0.00 C ATOM 0 H LEU A 69 -3.737 8.503 0.298 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.605 9.787 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.700 8.013 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.768 9.231 2.147 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.276 10.037 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.297 9.298 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.098 7.913 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.587 8.564 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.402 11.553 4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.627 10.922 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.180 11.784 3.356 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.276 11.980 1.708 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.270 13.194 0.903 1.00 0.00 C ATOM 1010 C PRO A 70 -2.846 13.658 0.556 1.00 0.00 C ATOM 1011 O PRO A 70 -1.838 13.050 0.943 1.00 0.00 O ATOM 1012 CB PRO A 70 -5.079 14.218 1.710 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.975 13.722 3.149 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.942 12.208 2.981 1.00 0.00 C ATOM 0 HA PRO A 70 -4.723 13.038 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.670 15.223 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.116 14.259 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.077 14.094 3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.825 14.044 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.401 11.733 3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.949 11.790 2.979 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.755 14.747 -0.208 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.486 15.366 -0.535 1.00 0.00 C ATOM 1024 C GLY A 71 -0.701 15.666 0.728 1.00 0.00 C ATOM 1025 O GLY A 71 -1.227 16.301 1.649 1.00 0.00 O ATOM 0 H GLY A 71 -3.563 15.219 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.908 14.705 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.657 16.287 -1.092 1.00 0.00 H new ATOM 1029 N ARG A 72 0.548 15.207 0.770 1.00 0.00 N ATOM 1030 CA ARG A 72 1.478 15.470 1.855 1.00 0.00 C ATOM 1031 C ARG A 72 2.787 15.970 1.261 1.00 0.00 C ATOM 1032 O ARG A 72 2.979 15.977 0.040 1.00 0.00 O ATOM 1033 CB ARG A 72 1.570 14.265 2.811 1.00 0.00 C ATOM 1034 CG ARG A 72 0.313 14.212 3.701 1.00 0.00 C ATOM 1035 CD ARG A 72 0.485 13.414 4.999 1.00 0.00 C ATOM 1036 NE ARG A 72 1.478 14.006 5.905 1.00 0.00 N ATOM 1037 CZ ARG A 72 1.703 13.658 7.176 1.00 0.00 C ATOM 1038 NH1 ARG A 72 0.985 12.709 7.775 1.00 0.00 N ATOM 1039 NH2 ARG A 72 2.678 14.270 7.834 1.00 0.00 N ATOM 0 H ARG A 72 0.947 14.628 0.031 1.00 0.00 H new ATOM 0 HA ARG A 72 1.125 16.270 2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.662 13.341 2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.463 14.347 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.018 15.231 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.505 13.776 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.475 13.351 5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.784 12.394 4.756 1.00 0.00 H new ATOM 0 HE ARG A 72 2.054 14.758 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.244 12.230 7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.176 12.461 8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.235 14.987 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.871 14.024 8.805 1.00 0.00 H new ATOM 1053 N GLU A 73 3.646 16.516 2.108 1.00 0.00 N ATOM 1054 CA GLU A 73 4.877 17.170 1.723 1.00 0.00 C ATOM 1055 C GLU A 73 5.938 16.960 2.802 1.00 0.00 C ATOM 1056 O GLU A 73 5.638 16.472 3.894 1.00 0.00 O ATOM 1057 CB GLU A 73 4.585 18.659 1.422 1.00 0.00 C ATOM 1058 CG GLU A 73 3.691 19.425 2.417 1.00 0.00 C ATOM 1059 CD GLU A 73 2.213 19.003 2.350 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.607 19.017 1.249 1.00 0.00 O ATOM 1061 OE2 GLU A 73 1.676 18.563 3.394 1.00 0.00 O ATOM 0 H GLU A 73 3.495 16.513 3.117 1.00 0.00 H new ATOM 0 HA GLU A 73 5.282 16.733 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.539 19.182 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.120 18.718 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.063 19.264 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.767 20.494 2.216 1.00 0.00 H new ATOM 1068 N ASN A 74 7.174 17.338 2.472 1.00 0.00 N ATOM 1069 CA ASN A 74 8.385 17.290 3.289 1.00 0.00 C ATOM 1070 C ASN A 74 8.598 15.919 3.925 1.00 0.00 C ATOM 1071 O ASN A 74 8.760 15.774 5.139 1.00 0.00 O ATOM 1072 CB ASN A 74 8.448 18.492 4.243 1.00 0.00 C ATOM 1073 CG ASN A 74 8.871 19.735 3.468 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.111 20.275 2.669 1.00 0.00 O ATOM 1075 ND2 ASN A 74 10.108 20.172 3.624 1.00 0.00 N ATOM 0 H ASN A 74 7.369 17.718 1.546 1.00 0.00 H new ATOM 0 HA ASN A 74 9.257 17.401 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.475 18.653 4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.156 18.294 5.048 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.441 20.966 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.730 19.715 4.291 1.00 0.00 H new ATOM 1082 N TYR A 75 8.622 14.906 3.062 1.00 0.00 N ATOM 1083 CA TYR A 75 8.864 13.505 3.380 1.00 0.00 C ATOM 1084 C TYR A 75 10.353 13.280 3.694 1.00 0.00 C ATOM 1085 O TYR A 75 11.167 14.196 3.552 1.00 0.00 O ATOM 1086 CB TYR A 75 8.466 12.652 2.167 1.00 0.00 C ATOM 1087 CG TYR A 75 7.055 12.802 1.622 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.708 13.911 0.822 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.142 11.741 1.760 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.461 13.960 0.179 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.922 11.763 1.067 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.556 12.884 0.298 1.00 0.00 C ATOM 1093 OH TYR A 75 3.378 12.921 -0.378 1.00 0.00 O ATOM 0 H TYR A 75 8.464 15.052 2.065 1.00 0.00 H new ATOM 0 HA TYR A 75 8.275 13.223 4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.162 12.876 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.612 11.605 2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.406 14.727 0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.381 10.906 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.193 14.825 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.258 10.913 1.124 1.00 0.00 H new ATOM 0 HH TYR A 75 2.720 12.359 0.081 1.00 0.00 H new ATOM 1103 N SER A 76 10.726 12.046 4.026 1.00 0.00 N ATOM 1104 CA SER A 76 12.061 11.618 4.419 1.00 0.00 C ATOM 1105 C SER A 76 12.411 10.331 3.673 1.00 0.00 C ATOM 1106 O SER A 76 11.580 9.797 2.934 1.00 0.00 O ATOM 1107 CB SER A 76 12.070 11.352 5.927 1.00 0.00 C ATOM 1108 OG SER A 76 11.586 12.463 6.659 1.00 0.00 O ATOM 0 H SER A 76 10.061 11.273 4.027 1.00 0.00 H new ATOM 0 HA SER A 76 12.791 12.390 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.457 10.478 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.085 11.119 6.249 1.00 0.00 H new ATOM 0 HG SER A 76 11.604 12.257 7.617 1.00 0.00 H new ATOM 1114 N SER A 77 13.621 9.818 3.892 1.00 0.00 N ATOM 1115 CA SER A 77 14.058 8.540 3.361 1.00 0.00 C ATOM 1116 C SER A 77 14.264 7.598 4.546 1.00 0.00 C ATOM 1117 O SER A 77 14.811 8.019 5.568 1.00 0.00 O ATOM 1118 CB SER A 77 15.347 8.703 2.545 1.00 0.00 C ATOM 1119 OG SER A 77 15.275 9.780 1.610 1.00 0.00 O ATOM 0 H SER A 77 14.331 10.290 4.452 1.00 0.00 H new ATOM 0 HA SER A 77 13.309 8.129 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.183 8.872 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.553 7.776 2.010 1.00 0.00 H new ATOM 0 HG SER A 77 16.120 9.843 1.118 1.00 0.00 H new ATOM 1125 N VAL A 78 13.793 6.356 4.450 1.00 0.00 N ATOM 1126 CA VAL A 78 13.792 5.349 5.513 1.00 0.00 C ATOM 1127 C VAL A 78 13.841 3.985 4.833 1.00 0.00 C ATOM 1128 O VAL A 78 13.032 3.742 3.933 1.00 0.00 O ATOM 1129 CB VAL A 78 12.512 5.483 6.378 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.411 4.398 7.457 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.397 6.846 7.086 1.00 0.00 C ATOM 0 H VAL A 78 13.381 6.006 3.585 1.00 0.00 H new ATOM 0 HA VAL A 78 14.648 5.479 6.176 1.00 0.00 H new ATOM 0 HB VAL A 78 11.699 5.375 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.496 4.541 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.393 3.416 6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.272 4.465 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.480 6.874 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.254 6.988 7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.375 7.642 6.342 1.00 0.00 H new ATOM 1141 N ASP A 79 14.704 3.072 5.282 1.00 0.00 N ATOM 1142 CA ASP A 79 14.721 1.700 4.771 1.00 0.00 C ATOM 1143 C ASP A 79 14.063 0.809 5.816 1.00 0.00 C ATOM 1144 O ASP A 79 14.326 0.983 7.009 1.00 0.00 O ATOM 1145 CB ASP A 79 16.144 1.219 4.451 1.00 0.00 C ATOM 1146 CG ASP A 79 16.162 -0.150 3.750 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.775 -1.152 4.392 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.606 -0.224 2.574 1.00 0.00 O ATOM 0 H ASP A 79 15.403 3.259 6.001 1.00 0.00 H new ATOM 0 HA ASP A 79 14.172 1.656 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.638 1.955 3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.719 1.158 5.375 1.00 0.00 H new ATOM 1153 N ALA A 80 13.180 -0.100 5.411 1.00 0.00 N ATOM 1154 CA ALA A 80 12.567 -1.098 6.276 1.00 0.00 C ATOM 1155 C ALA A 80 12.397 -2.373 5.463 1.00 0.00 C ATOM 1156 O ALA A 80 12.044 -2.304 4.287 1.00 0.00 O ATOM 1157 CB ALA A 80 11.227 -0.600 6.823 1.00 0.00 C ATOM 0 H ALA A 80 12.864 -0.162 4.443 1.00 0.00 H new ATOM 0 HA ALA A 80 13.202 -1.292 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.790 -1.364 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.385 0.312 7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.550 -0.393 5.994 1.00 0.00 H new ATOM 1163 N ASN A 81 12.626 -3.527 6.094 1.00 0.00 N ATOM 1164 CA ASN A 81 12.638 -4.854 5.469 1.00 0.00 C ATOM 1165 C ASN A 81 13.519 -4.931 4.213 1.00 0.00 C ATOM 1166 O ASN A 81 13.284 -5.777 3.348 1.00 0.00 O ATOM 1167 CB ASN A 81 11.202 -5.379 5.250 1.00 0.00 C ATOM 1168 CG ASN A 81 10.603 -5.946 6.525 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.264 -6.663 7.271 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.355 -5.657 6.822 1.00 0.00 N ATOM 0 H ASN A 81 12.816 -3.565 7.095 1.00 0.00 H new ATOM 0 HA ASN A 81 13.119 -5.533 6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.572 -4.569 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.211 -6.150 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.934 -6.029 7.674 1.00 0.00 H new ATOM 0 HD22 ASN A 81 8.808 -5.061 6.201 1.00 0.00 H new ATOM 1177 N GLY A 82 14.556 -4.094 4.122 1.00 0.00 N ATOM 1178 CA GLY A 82 15.492 -4.111 3.010 1.00 0.00 C ATOM 1179 C GLY A 82 14.900 -3.466 1.765 1.00 0.00 C ATOM 1180 O GLY A 82 15.116 -3.950 0.654 1.00 0.00 O ATOM 0 H GLY A 82 14.765 -3.385 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.404 -3.585 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.774 -5.140 2.788 1.00 0.00 H new ATOM 1184 N ILE A 83 14.119 -2.402 1.942 1.00 0.00 N ATOM 1185 CA ILE A 83 13.415 -1.662 0.905 1.00 0.00 C ATOM 1186 C ILE A 83 13.603 -0.203 1.292 1.00 0.00 C ATOM 1187 O ILE A 83 13.332 0.135 2.444 1.00 0.00 O ATOM 1188 CB ILE A 83 11.917 -2.039 0.909 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.670 -3.541 0.672 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.168 -1.210 -0.146 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.335 -3.996 1.261 1.00 0.00 C ATOM 0 H ILE A 83 13.953 -2.013 2.870 1.00 0.00 H new ATOM 0 HA ILE A 83 13.789 -1.875 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 83 11.537 -1.813 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.684 -3.747 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.480 -4.118 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.112 -1.480 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.273 -0.149 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.587 -1.411 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.198 -5.061 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.331 -3.814 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.523 -3.438 0.795 1.00 0.00 H new ATOM 1203 N GLN A 84 14.024 0.671 0.376 1.00 0.00 N ATOM 1204 CA GLN A 84 14.338 2.049 0.722 1.00 0.00 C ATOM 1205 C GLN A 84 13.192 2.921 0.240 1.00 0.00 C ATOM 1206 O GLN A 84 12.747 2.810 -0.905 1.00 0.00 O ATOM 1207 CB GLN A 84 15.683 2.465 0.100 1.00 0.00 C ATOM 1208 CG GLN A 84 16.123 3.913 0.401 1.00 0.00 C ATOM 1209 CD GLN A 84 16.556 4.181 1.849 1.00 0.00 C ATOM 1210 OE1 GLN A 84 15.874 4.849 2.623 1.00 0.00 O ATOM 1211 NE2 GLN A 84 17.724 3.720 2.255 1.00 0.00 N ATOM 0 H GLN A 84 14.154 0.444 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 84 14.447 2.164 1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.457 1.785 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.621 2.338 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.950 4.169 -0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.299 4.584 0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.300 3.164 1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.050 3.919 3.201 1.00 0.00 H new ATOM 1220 N SER A 85 12.711 3.782 1.130 1.00 0.00 N ATOM 1221 CA SER A 85 11.720 4.788 0.815 1.00 0.00 C ATOM 1222 C SER A 85 12.500 6.094 0.736 1.00 0.00 C ATOM 1223 O SER A 85 13.476 6.253 1.469 1.00 0.00 O ATOM 1224 CB SER A 85 10.574 4.804 1.833 1.00 0.00 C ATOM 1225 OG SER A 85 10.983 5.203 3.123 1.00 0.00 O ATOM 0 H SER A 85 13.008 3.795 2.106 1.00 0.00 H new ATOM 0 HA SER A 85 11.209 4.592 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.793 5.479 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.133 3.809 1.890 1.00 0.00 H new ATOM 0 HG SER A 85 11.542 4.503 3.520 1.00 0.00 H new ATOM 1231 N GLN A 86 12.114 7.016 -0.142 1.00 0.00 N ATOM 1232 CA GLN A 86 12.864 8.244 -0.381 1.00 0.00 C ATOM 1233 C GLN A 86 11.967 9.473 -0.261 1.00 0.00 C ATOM 1234 O GLN A 86 10.781 9.406 -0.582 1.00 0.00 O ATOM 1235 CB GLN A 86 13.559 8.136 -1.748 1.00 0.00 C ATOM 1236 CG GLN A 86 12.582 8.135 -2.936 1.00 0.00 C ATOM 1237 CD GLN A 86 13.124 7.327 -4.109 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.904 7.832 -4.905 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.726 6.070 -4.224 1.00 0.00 N ATOM 0 H GLN A 86 11.270 6.932 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 86 13.631 8.370 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.254 8.969 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.151 7.221 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.625 7.721 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.396 9.160 -3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.075 5.677 -3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.071 5.494 -4.992 1.00 0.00 H new ATOM 1248 N MET A 87 12.535 10.595 0.182 1.00 0.00 N ATOM 1249 CA MET A 87 11.849 11.879 0.247 1.00 0.00 C ATOM 1250 C MET A 87 11.255 12.286 -1.111 1.00 0.00 C ATOM 1251 O MET A 87 11.701 11.833 -2.170 1.00 0.00 O ATOM 1252 CB MET A 87 12.783 12.954 0.838 1.00 0.00 C ATOM 1253 CG MET A 87 14.200 13.042 0.246 1.00 0.00 C ATOM 1254 SD MET A 87 14.343 13.628 -1.465 1.00 0.00 S ATOM 1255 CE MET A 87 14.945 12.126 -2.285 1.00 0.00 C ATOM 0 H MET A 87 13.500 10.634 0.510 1.00 0.00 H new ATOM 0 HA MET A 87 10.997 11.779 0.920 1.00 0.00 H new ATOM 0 HB2 MET A 87 12.303 13.925 0.717 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.873 12.774 1.909 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.792 13.702 0.881 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.653 12.053 0.304 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.084 12.323 -3.348 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.896 11.827 -1.844 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.217 11.325 -2.156 1.00 0.00 H new ATOM 1265 N LEU A 88 10.256 13.173 -1.084 1.00 0.00 N ATOM 1266 CA LEU A 88 9.627 13.769 -2.257 1.00 0.00 C ATOM 1267 C LEU A 88 9.339 15.226 -1.954 1.00 0.00 C ATOM 1268 O LEU A 88 9.192 15.606 -0.789 1.00 0.00 O ATOM 1269 CB LEU A 88 8.283 13.150 -2.648 1.00 0.00 C ATOM 1270 CG LEU A 88 8.205 11.619 -2.594 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.624 11.167 -1.264 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.287 11.158 -3.713 1.00 0.00 C ATOM 0 H LEU A 88 9.851 13.506 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 88 10.325 13.607 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.514 13.556 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.039 13.471 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 88 9.203 11.195 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.575 10.078 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.259 11.520 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.622 11.578 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.213 10.071 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.297 11.591 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.692 11.481 -4.672 1.00 0.00 H new ATOM 1284 N SER A 89 9.093 15.986 -3.012 1.00 0.00 N ATOM 1285 CA SER A 89 8.729 17.378 -2.961 1.00 0.00 C ATOM 1286 C SER A 89 7.227 17.556 -3.211 1.00 0.00 C ATOM 1287 O SER A 89 6.824 17.718 -4.365 1.00 0.00 O ATOM 1288 CB SER A 89 9.593 18.125 -3.988 1.00 0.00 C ATOM 1289 OG SER A 89 9.560 17.466 -5.246 1.00 0.00 O ATOM 0 H SER A 89 9.146 15.626 -3.965 1.00 0.00 H new ATOM 0 HA SER A 89 8.917 17.794 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.233 19.148 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.621 18.186 -3.630 1.00 0.00 H new ATOM 0 HG SER A 89 8.630 17.282 -5.495 1.00 0.00 H new ATOM 1295 N ARG A 90 6.393 17.459 -2.165 1.00 0.00 N ATOM 1296 CA ARG A 90 4.957 17.766 -2.280 1.00 0.00 C ATOM 1297 C ARG A 90 4.168 16.863 -3.234 1.00 0.00 C ATOM 1298 O ARG A 90 3.692 17.340 -4.269 1.00 0.00 O ATOM 1299 CB ARG A 90 4.771 19.282 -2.531 1.00 0.00 C ATOM 1300 CG ARG A 90 3.315 19.779 -2.403 1.00 0.00 C ATOM 1301 CD ARG A 90 2.890 20.719 -3.539 1.00 0.00 C ATOM 1302 NE ARG A 90 2.906 20.014 -4.830 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.595 20.505 -6.032 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.150 21.747 -6.175 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.731 19.750 -7.111 1.00 0.00 N ATOM 0 H ARG A 90 6.686 17.171 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 90 4.497 17.520 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.393 19.833 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.136 19.519 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.646 18.919 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.198 20.296 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.890 21.106 -3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.562 21.577 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 90 3.188 19.034 -4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.040 22.347 -5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.918 22.102 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.073 18.793 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.493 20.125 -8.029 1.00 0.00 H new ATOM 1319 N TRP A 91 4.085 15.558 -2.975 1.00 0.00 N ATOM 1320 CA TRP A 91 3.262 14.693 -3.815 1.00 0.00 C ATOM 1321 C TRP A 91 1.829 14.809 -3.309 1.00 0.00 C ATOM 1322 O TRP A 91 1.484 14.417 -2.194 1.00 0.00 O ATOM 1323 CB TRP A 91 3.736 13.239 -3.784 1.00 0.00 C ATOM 1324 CG TRP A 91 3.538 12.493 -5.071 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.389 11.951 -5.536 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.534 12.204 -6.084 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.627 11.282 -6.723 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.947 11.408 -7.108 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.893 12.532 -6.217 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.693 10.945 -8.202 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.673 11.991 -7.246 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.074 11.212 -8.255 1.00 0.00 C ATOM 0 H TRP A 91 4.566 15.087 -2.209 1.00 0.00 H new ATOM 0 HA TRP A 91 3.337 15.009 -4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.795 13.221 -3.527 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.206 12.714 -2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.427 12.029 -5.051 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.920 10.764 -7.245 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.345 13.214 -5.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.213 10.390 -8.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.738 12.172 -7.266 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.671 10.821 -9.065 1.00 0.00 H new ATOM 1343 N SER A 92 0.978 15.402 -4.134 1.00 0.00 N ATOM 1344 CA SER A 92 -0.397 15.714 -3.793 1.00 0.00 C ATOM 1345 C SER A 92 -1.309 14.477 -3.922 1.00 0.00 C ATOM 1346 O SER A 92 -2.469 14.611 -4.304 1.00 0.00 O ATOM 1347 CB SER A 92 -0.839 16.906 -4.646 1.00 0.00 C ATOM 1348 OG SER A 92 0.093 17.972 -4.498 1.00 0.00 O ATOM 0 H SER A 92 1.233 15.685 -5.080 1.00 0.00 H new ATOM 0 HA SER A 92 -0.478 16.000 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.906 16.611 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.833 17.234 -4.343 1.00 0.00 H new ATOM 0 HG SER A 92 -0.191 18.733 -5.046 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.794 13.276 -3.626 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.468 11.992 -3.650 1.00 0.00 C ATOM 1356 C ALA A 93 -0.577 11.032 -2.863 1.00 0.00 C ATOM 1357 O ALA A 93 0.554 10.759 -3.275 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.659 11.487 -5.090 1.00 0.00 C ATOM 0 H ALA A 93 0.181 13.181 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.464 12.069 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.167 10.523 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.259 12.204 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.686 11.376 -5.569 1.00 0.00 H new ATOM 1364 N SER A 94 -1.053 10.535 -1.734 1.00 0.00 N ATOM 1365 CA SER A 94 -0.322 9.604 -0.884 1.00 0.00 C ATOM 1366 C SER A 94 -1.210 8.414 -0.501 1.00 0.00 C ATOM 1367 O SER A 94 -2.351 8.294 -0.954 1.00 0.00 O ATOM 1368 CB SER A 94 0.184 10.353 0.359 1.00 0.00 C ATOM 1369 OG SER A 94 0.780 11.607 0.069 1.00 0.00 O ATOM 0 H SER A 94 -1.977 10.771 -1.373 1.00 0.00 H new ATOM 0 HA SER A 94 0.535 9.205 -1.426 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.650 10.507 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.910 9.727 0.878 1.00 0.00 H new ATOM 0 HG SER A 94 0.146 12.326 0.275 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.679 7.497 0.304 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.388 6.377 0.887 1.00 0.00 C ATOM 1377 C PHE A 95 -0.608 5.850 2.083 1.00 0.00 C ATOM 1378 O PHE A 95 0.521 6.259 2.336 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.655 5.275 -0.163 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.463 4.479 -0.667 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.348 4.986 -1.698 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.226 3.179 -0.176 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.374 4.197 -2.248 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.778 2.379 -0.747 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.574 2.883 -1.790 1.00 0.00 C ATOM 0 H PHE A 95 0.304 7.522 0.576 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.364 6.714 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.372 4.573 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.136 5.740 -1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.182 5.986 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.818 2.797 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.009 4.601 -3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.938 1.375 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.337 2.263 -2.238 1.00 0.00 H new ATOM 1395 N THR A 96 -1.224 4.969 2.855 1.00 0.00 N ATOM 1396 CA THR A 96 -0.604 4.253 3.950 1.00 0.00 C ATOM 1397 C THR A 96 -1.245 2.866 3.863 1.00 0.00 C ATOM 1398 O THR A 96 -2.437 2.741 3.573 1.00 0.00 O ATOM 1399 CB THR A 96 -0.759 5.014 5.283 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.111 4.461 6.245 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.198 5.072 5.804 1.00 0.00 C ATOM 0 H THR A 96 -2.207 4.726 2.728 1.00 0.00 H new ATOM 0 HA THR A 96 0.480 4.160 3.892 1.00 0.00 H new ATOM 0 HB THR A 96 -0.487 6.052 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.033 4.726 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.223 5.623 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.830 5.575 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.567 4.059 5.967 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.445 1.809 3.951 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.933 0.443 3.809 1.00 0.00 C ATOM 1411 C VAL A 97 -0.949 -0.254 5.171 1.00 0.00 C ATOM 1412 O VAL A 97 -0.238 0.186 6.072 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.149 -0.218 2.667 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.284 -0.586 3.019 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.839 -1.467 2.161 1.00 0.00 C ATOM 0 H VAL A 97 0.558 1.875 4.122 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.978 0.379 3.504 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.120 0.549 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.764 -1.047 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.832 0.313 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.285 -1.288 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.252 -1.905 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.931 -2.187 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.831 -1.210 1.791 1.00 0.00 H new ATOM 1425 N THR A 98 -1.737 -1.317 5.320 1.00 0.00 N ATOM 1426 CA THR A 98 -1.924 -2.141 6.514 1.00 0.00 C ATOM 1427 C THR A 98 -2.312 -3.564 6.074 1.00 0.00 C ATOM 1428 O THR A 98 -2.416 -3.821 4.871 1.00 0.00 O ATOM 1429 CB THR A 98 -3.044 -1.538 7.387 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.197 -1.213 6.620 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.608 -0.278 8.128 1.00 0.00 C ATOM 0 H THR A 98 -2.309 -1.652 4.545 1.00 0.00 H new ATOM 0 HA THR A 98 -1.002 -2.173 7.095 1.00 0.00 H new ATOM 0 HB THR A 98 -3.280 -2.316 8.113 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.033 -1.424 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.439 0.099 8.725 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.768 -0.513 8.782 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.305 0.481 7.407 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.501 -4.482 7.023 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.006 -5.834 6.792 1.00 0.00 C ATOM 1441 C LEU A 99 -4.498 -5.806 6.503 1.00 0.00 C ATOM 1442 O LEU A 99 -5.190 -4.832 6.815 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.793 -6.714 8.034 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.381 -7.294 8.154 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.214 -7.868 9.554 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.191 -8.443 7.156 1.00 0.00 C ATOM 0 H LEU A 99 -2.300 -4.298 8.006 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.460 -6.241 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.009 -6.125 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.511 -7.534 8.012 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.655 -6.506 7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.213 -8.286 9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.356 -7.077 10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.954 -8.652 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.183 -8.846 7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.917 -9.229 7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.338 -8.072 6.142 1.00 0.00 H new ATOM 1458 N GLU A 100 -4.985 -6.894 5.913 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.399 -7.114 5.684 1.00 0.00 C ATOM 1460 C GLU A 100 -6.983 -7.625 6.995 1.00 0.00 C ATOM 1461 O GLU A 100 -6.334 -8.484 7.631 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.595 -8.130 4.555 1.00 0.00 C ATOM 1463 CG GLU A 100 -8.075 -8.246 4.185 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.371 -9.495 3.364 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -8.444 -10.601 3.945 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -8.637 -9.361 2.146 1.00 0.00 O ATOM 1467 OXT GLU A 100 -8.065 -7.149 7.397 1.00 0.00 O ATOM 0 H GLU A 100 -4.395 -7.655 5.578 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.902 -6.196 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.019 -7.826 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.215 -9.103 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.674 -8.262 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.376 -7.363 3.621 1.00 0.00 H new TER 1474 GLU A 100