USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 847 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 22 ASN : amide:sc= 0.85 K(o=-0.2,f=-1.7) USER MOD Set 1.2: A 109 SER OG : rot 9:sc= -1.05! USER MOD Set 2.1: A 12 HIS : no HE2:sc= -1.17 X(o=-4.7,f=-4.7) USER MOD Set 2.2: A 66 SER OG : rot -51:sc= 1.22 USER MOD Set 2.3: A 68 CYS SG : rot 102:sc= -2.41! USER MOD Set 2.4: A 70 SER OG : rot 170:sc= 0.612 USER MOD Set 2.5: A 107 THR OG1 : rot -139:sc= 0.945 USER MOD Set 2.6: A 112 HIS :FLIP no HD1:sc= -3.86! C(o=-6.9!,f=-4.7!) USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0.249 USER MOD Set 3.2: A 28 THR OG1 : rot -85:sc= 1.17 USER MOD Set 3.3: A 32 THR OG1 : rot -146:sc= -0.256 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -169:sc= 0.474 (180deg=0) USER MOD Set 4.2: A 81 SER OG : rot 131:sc= 0.497 USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= 1.09 (180deg=0.698) USER MOD Single : A 18 SER OG : rot 131:sc= 0.613 USER MOD Single : A 20 SER OG : rot 113:sc= 1.1 USER MOD Single : A 31 SER OG : rot -86:sc= 1.23 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 0.723 (180deg=-0.0487!) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0287 F(o=-2.1!,f=-0.029) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -0.0111 (180deg=-0.149) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.0196 X(o=0.02,f=0) USER MOD Single : A 53 SER OG : rot -0:sc= -1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -58:sc= 0.222 USER MOD Single : A 64 GLN : amide:sc= 1.2 K(o=1.2,f=-0.064) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -158:sc= -2.45 (180deg=-2.87!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= -0.018 (180deg=-0.16) USER MOD Single : A 97 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.025) USER MOD Single : A 102 SER OG : rot -80:sc= -1.5 USER MOD Single : A 106 GLN : amide:sc= -2.5 X(o=-2.5,f=-3!) USER MOD Single : A 115 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.1) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -19.169 -4.026 -2.697 1.00 0.57 N ATOM 47 CA LYS A 7 -18.176 -3.593 -3.660 1.00 0.51 C ATOM 48 C LYS A 7 -17.467 -2.350 -3.165 1.00 0.42 C ATOM 49 O LYS A 7 -18.018 -1.247 -3.161 1.00 0.60 O ATOM 50 CB LYS A 7 -18.805 -3.351 -5.026 1.00 0.64 C ATOM 51 CG LYS A 7 -19.383 -4.613 -5.635 1.00 0.92 C ATOM 52 CD LYS A 7 -18.294 -5.578 -6.081 1.00 0.87 C ATOM 53 CE LYS A 7 -18.893 -6.899 -6.537 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.853 -7.896 -6.902 1.00 1.19 N ATOM 0 HA LYS A 7 -17.440 -4.389 -3.770 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.593 -2.604 -4.931 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.054 -2.938 -5.700 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -20.028 -5.105 -4.907 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -20.008 -4.351 -6.489 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.720 -5.134 -6.895 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -17.599 -5.753 -5.260 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -19.519 -7.305 -5.742 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -19.542 -6.724 -7.395 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -18.300 -8.705 -7.379 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.160 -7.457 -7.542 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -17.370 -8.225 -6.042 1.00 1.19 H new ATOM 68 N LEU A 8 -16.250 -2.570 -2.734 1.00 0.33 N ATOM 69 CA LEU A 8 -15.400 -1.546 -2.179 1.00 0.26 C ATOM 70 C LEU A 8 -14.412 -1.103 -3.253 1.00 0.22 C ATOM 71 O LEU A 8 -14.144 -1.845 -4.192 1.00 0.22 O ATOM 72 CB LEU A 8 -14.670 -2.159 -0.979 1.00 0.25 C ATOM 73 CG LEU A 8 -14.254 -1.227 0.166 1.00 0.33 C ATOM 74 CD1 LEU A 8 -13.810 -2.065 1.348 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.121 -0.303 -0.242 1.00 0.81 C ATOM 0 H LEU A 8 -15.811 -3.491 -2.760 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.968 -0.675 -1.854 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.310 -2.936 -0.561 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.772 -2.652 -1.351 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.113 -0.610 0.429 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.512 -1.410 2.167 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.633 -2.701 1.673 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -12.964 -2.687 1.056 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.856 0.341 0.597 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.254 -0.897 -0.532 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.438 0.311 -1.085 1.00 0.81 H new ATOM 87 N ARG A 9 -13.909 0.104 -3.136 1.00 0.24 N ATOM 88 CA ARG A 9 -12.819 0.575 -3.977 1.00 0.23 C ATOM 89 C ARG A 9 -11.775 1.231 -3.096 1.00 0.20 C ATOM 90 O ARG A 9 -12.101 2.105 -2.292 1.00 0.21 O ATOM 91 CB ARG A 9 -13.308 1.570 -5.032 1.00 0.25 C ATOM 92 CG ARG A 9 -12.169 2.192 -5.822 1.00 0.26 C ATOM 93 CD ARG A 9 -12.656 3.241 -6.800 1.00 0.34 C ATOM 94 NE ARG A 9 -11.539 3.960 -7.408 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.668 5.045 -8.168 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.871 5.539 -8.433 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.589 5.632 -8.662 1.00 0.98 N ATOM 0 H ARG A 9 -14.239 0.791 -2.458 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.393 -0.278 -4.505 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.986 1.062 -5.718 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.880 2.359 -4.544 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.456 2.644 -5.133 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.637 1.411 -6.365 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.252 2.766 -7.579 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.308 3.946 -6.285 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.597 3.607 -7.239 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.703 5.087 -8.054 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -12.964 6.371 -9.016 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.664 5.252 -8.460 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.683 6.464 -9.245 1.00 0.98 H new ATOM 111 N ALA A 10 -10.525 0.819 -3.228 1.00 0.20 N ATOM 112 CA ALA A 10 -9.493 1.325 -2.347 1.00 0.17 C ATOM 113 C ALA A 10 -8.145 1.446 -3.052 1.00 0.16 C ATOM 114 O ALA A 10 -7.866 0.737 -4.019 1.00 0.17 O ATOM 115 CB ALA A 10 -9.380 0.424 -1.123 1.00 0.22 C ATOM 0 H ALA A 10 -10.206 0.147 -3.926 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.779 2.330 -2.035 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.603 0.806 -0.461 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.333 0.408 -0.594 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -9.123 -0.587 -1.438 1.00 0.22 H new ATOM 121 N ALA A 11 -7.321 2.357 -2.551 1.00 0.17 N ATOM 122 CA ALA A 11 -5.988 2.592 -3.085 1.00 0.18 C ATOM 123 C ALA A 11 -4.953 2.018 -2.131 1.00 0.17 C ATOM 124 O ALA A 11 -5.063 2.192 -0.918 1.00 0.19 O ATOM 125 CB ALA A 11 -5.754 4.087 -3.300 1.00 0.20 C ATOM 0 H ALA A 11 -7.560 2.955 -1.760 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.895 2.095 -4.051 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.752 4.245 -3.700 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.491 4.473 -4.005 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.852 4.611 -2.349 1.00 0.20 H new ATOM 131 N HIS A 12 -3.950 1.345 -2.670 1.00 0.16 N ATOM 132 CA HIS A 12 -2.983 0.648 -1.834 1.00 0.16 C ATOM 133 C HIS A 12 -1.561 0.858 -2.339 1.00 0.15 C ATOM 134 O HIS A 12 -1.332 1.011 -3.539 1.00 0.19 O ATOM 135 CB HIS A 12 -3.305 -0.850 -1.767 1.00 0.17 C ATOM 136 CG HIS A 12 -2.934 -1.640 -2.992 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.686 -1.657 -4.142 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.883 -2.464 -3.223 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.116 -2.462 -5.022 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.023 -2.963 -4.489 1.00 0.21 N ATOM 0 H HIS A 12 -3.783 1.266 -3.673 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.052 1.067 -0.830 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.789 -1.278 -0.908 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.374 -0.968 -1.588 1.00 0.17 H new ATOM 0 HD1 HIS A 12 -4.547 -1.132 -4.293 1.00 0.23 H new ATOM 0 HD2 HIS A 12 -1.082 -2.686 -2.534 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.486 -2.673 -6.014 1.00 0.23 H new ATOM 149 N LEU A 13 -0.614 0.846 -1.416 1.00 0.15 N ATOM 150 CA LEU A 13 0.789 1.018 -1.750 1.00 0.14 C ATOM 151 C LEU A 13 1.568 -0.186 -1.235 1.00 0.16 C ATOM 152 O LEU A 13 1.384 -0.605 -0.095 1.00 0.24 O ATOM 153 CB LEU A 13 1.319 2.329 -1.143 1.00 0.15 C ATOM 154 CG LEU A 13 2.581 2.914 -1.795 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.754 4.373 -1.411 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.822 2.131 -1.399 1.00 0.18 C ATOM 0 H LEU A 13 -0.795 0.718 -0.420 1.00 0.15 H new ATOM 0 HA LEU A 13 0.913 1.082 -2.831 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.527 3.076 -1.196 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.526 2.159 -0.086 1.00 0.15 H new ATOM 0 HG LEU A 13 2.456 2.839 -2.875 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.653 4.769 -1.883 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.887 4.943 -1.746 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.846 4.456 -0.328 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.697 2.571 -1.877 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.944 2.166 -0.316 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.716 1.095 -1.719 1.00 0.18 H new ATOM 168 N LEU A 14 2.405 -0.756 -2.087 1.00 0.13 N ATOM 169 CA LEU A 14 3.172 -1.945 -1.743 1.00 0.14 C ATOM 170 C LEU A 14 4.663 -1.648 -1.759 1.00 0.16 C ATOM 171 O LEU A 14 5.197 -1.187 -2.761 1.00 0.27 O ATOM 172 CB LEU A 14 2.847 -3.068 -2.735 1.00 0.16 C ATOM 173 CG LEU A 14 3.764 -4.302 -2.713 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.788 -4.964 -1.342 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.308 -5.296 -3.770 1.00 0.27 C ATOM 0 H LEU A 14 2.572 -0.411 -3.032 1.00 0.13 H new ATOM 0 HA LEU A 14 2.899 -2.260 -0.736 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.826 -3.401 -2.548 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.867 -2.648 -3.741 1.00 0.16 H new ATOM 0 HG LEU A 14 4.779 -3.972 -2.933 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.447 -5.832 -1.368 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.153 -4.253 -0.601 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.780 -5.282 -1.074 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.959 -6.170 -3.753 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.283 -5.603 -3.562 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.354 -4.828 -4.753 1.00 0.27 H new ATOM 187 N VAL A 15 5.323 -1.901 -0.647 1.00 0.13 N ATOM 188 CA VAL A 15 6.770 -1.791 -0.581 1.00 0.13 C ATOM 189 C VAL A 15 7.376 -3.182 -0.427 1.00 0.13 C ATOM 190 O VAL A 15 6.889 -3.995 0.358 1.00 0.15 O ATOM 191 CB VAL A 15 7.233 -0.883 0.586 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.750 -0.788 0.631 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.625 0.508 0.462 1.00 0.15 C ATOM 0 H VAL A 15 4.881 -2.185 0.227 1.00 0.13 H new ATOM 0 HA VAL A 15 7.114 -1.331 -1.507 1.00 0.13 H new ATOM 0 HB VAL A 15 6.887 -1.333 1.516 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.050 -0.145 1.459 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.173 -1.783 0.772 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.116 -0.368 -0.306 1.00 0.13 H new ATOM 0 HG21 VAL A 15 6.964 1.128 1.292 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.938 0.959 -0.480 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.538 0.433 0.485 1.00 0.15 H new ATOM 203 N LYS A 16 8.408 -3.461 -1.205 1.00 0.15 N ATOM 204 CA LYS A 16 9.098 -4.741 -1.141 1.00 0.17 C ATOM 205 C LYS A 16 10.440 -4.560 -0.449 1.00 0.16 C ATOM 206 O LYS A 16 11.009 -3.468 -0.474 1.00 0.24 O ATOM 207 CB LYS A 16 9.305 -5.304 -2.552 1.00 0.23 C ATOM 208 CG LYS A 16 8.031 -5.797 -3.216 1.00 0.26 C ATOM 209 CD LYS A 16 7.590 -7.129 -2.638 1.00 0.37 C ATOM 210 CE LYS A 16 6.273 -7.603 -3.229 1.00 0.48 C ATOM 211 NZ LYS A 16 6.347 -7.799 -4.698 1.00 0.62 N ATOM 0 H LYS A 16 8.790 -2.813 -1.894 1.00 0.15 H new ATOM 0 HA LYS A 16 8.491 -5.446 -0.572 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.753 -4.532 -3.178 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.018 -6.127 -2.502 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.239 -5.060 -3.082 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.193 -5.899 -4.289 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.360 -7.877 -2.825 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.489 -7.038 -1.556 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.982 -8.540 -2.755 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.494 -6.876 -3.002 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.778 -8.627 -4.967 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 5.979 -6.954 -5.180 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.337 -7.953 -4.978 1.00 0.62 H new ATOM 225 N PHE A 17 10.954 -5.620 0.155 1.00 0.17 N ATOM 226 CA PHE A 17 12.208 -5.532 0.881 1.00 0.17 C ATOM 227 C PHE A 17 12.991 -6.832 0.774 1.00 0.19 C ATOM 228 O PHE A 17 12.442 -7.869 0.409 1.00 0.21 O ATOM 229 CB PHE A 17 11.959 -5.149 2.347 1.00 0.17 C ATOM 230 CG PHE A 17 11.112 -6.114 3.139 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.680 -7.216 3.762 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.750 -5.898 3.285 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.906 -8.084 4.510 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.973 -6.760 4.037 1.00 0.23 C ATOM 235 CZ PHE A 17 9.550 -7.855 4.649 1.00 0.25 C ATOM 0 H PHE A 17 10.524 -6.545 0.156 1.00 0.17 H new ATOM 0 HA PHE A 17 12.812 -4.746 0.427 1.00 0.17 H new ATOM 0 HB2 PHE A 17 12.923 -5.046 2.845 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.481 -4.170 2.372 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.740 -7.398 3.661 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.291 -5.046 2.806 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.361 -8.940 4.985 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.914 -6.577 4.146 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.944 -8.530 5.234 1.00 0.25 H new ATOM 245 N SER A 18 14.285 -6.753 1.038 1.00 0.22 N ATOM 246 CA SER A 18 15.155 -7.894 1.009 1.00 0.26 C ATOM 247 C SER A 18 14.612 -9.028 1.874 1.00 0.30 C ATOM 248 O SER A 18 14.543 -8.915 3.100 1.00 0.30 O ATOM 249 CB SER A 18 16.535 -7.474 1.497 1.00 0.29 C ATOM 250 OG SER A 18 17.479 -8.458 1.171 1.00 1.04 O ATOM 0 H SER A 18 14.756 -5.881 1.280 1.00 0.22 H new ATOM 0 HA SER A 18 15.218 -8.264 -0.014 1.00 0.26 H new ATOM 0 HB2 SER A 18 16.817 -6.524 1.043 1.00 0.29 H new ATOM 0 HB3 SER A 18 16.517 -7.319 2.576 1.00 0.29 H new ATOM 0 HG SER A 18 18.250 -8.040 0.735 1.00 1.04 H new ATOM 256 N GLY A 19 14.211 -10.109 1.221 1.00 0.35 N ATOM 257 CA GLY A 19 13.739 -11.268 1.939 1.00 0.45 C ATOM 258 C GLY A 19 12.228 -11.371 1.979 1.00 0.42 C ATOM 259 O GLY A 19 11.691 -12.298 2.588 1.00 0.53 O ATOM 0 H GLY A 19 14.205 -10.201 0.205 1.00 0.35 H new ATOM 0 HA2 GLY A 19 14.146 -12.166 1.474 1.00 0.45 H new ATOM 0 HA3 GLY A 19 14.122 -11.236 2.959 1.00 0.45 H new ATOM 263 N SER A 20 11.529 -10.449 1.321 1.00 0.34 N ATOM 264 CA SER A 20 10.074 -10.436 1.385 1.00 0.41 C ATOM 265 C SER A 20 9.466 -11.285 0.266 1.00 0.40 C ATOM 266 O SER A 20 8.468 -10.902 -0.351 1.00 0.45 O ATOM 267 CB SER A 20 9.550 -9.000 1.320 1.00 0.51 C ATOM 268 OG SER A 20 9.795 -8.405 0.057 1.00 0.70 O ATOM 0 H SER A 20 11.940 -9.713 0.747 1.00 0.34 H new ATOM 0 HA SER A 20 9.772 -10.873 2.337 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.479 -8.995 1.522 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.025 -8.405 2.100 1.00 0.51 H new ATOM 0 HG SER A 20 8.943 -8.250 -0.402 1.00 0.70 H new ATOM 274 N ARG A 21 10.094 -12.434 0.003 1.00 0.43 N ATOM 275 CA ARG A 21 9.634 -13.392 -1.010 1.00 0.49 C ATOM 276 C ARG A 21 9.876 -12.875 -2.433 1.00 0.51 C ATOM 277 O ARG A 21 10.139 -13.656 -3.345 1.00 0.60 O ATOM 278 CB ARG A 21 8.156 -13.756 -0.799 1.00 0.58 C ATOM 279 CG ARG A 21 7.880 -14.401 0.552 1.00 1.25 C ATOM 280 CD ARG A 21 6.428 -14.825 0.686 1.00 1.25 C ATOM 281 NE ARG A 21 6.127 -15.328 2.028 1.00 2.28 N ATOM 282 CZ ARG A 21 4.998 -15.956 2.361 1.00 2.47 C ATOM 283 NH1 ARG A 21 4.056 -16.176 1.451 1.00 1.89 N ATOM 284 NH2 ARG A 21 4.815 -16.366 3.608 1.00 3.49 N ATOM 0 H ARG A 21 10.941 -12.729 0.489 1.00 0.43 H new ATOM 0 HA ARG A 21 10.225 -14.299 -0.888 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.550 -12.855 -0.894 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.840 -14.437 -1.590 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.526 -15.270 0.679 1.00 1.25 H new ATOM 0 HG3 ARG A 21 8.129 -13.699 1.348 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.780 -13.977 0.462 1.00 1.25 H new ATOM 0 HD3 ARG A 21 6.206 -15.598 -0.050 1.00 1.25 H new ATOM 0 HE ARG A 21 6.827 -15.189 2.757 1.00 2.28 H new ATOM 0 HH11 ARG A 21 4.193 -15.864 0.490 1.00 1.89 H new ATOM 0 HH12 ARG A 21 3.196 -16.657 1.714 1.00 1.89 H new ATOM 0 HH21 ARG A 21 5.536 -16.201 4.310 1.00 3.49 H new ATOM 0 HH22 ARG A 21 3.953 -16.846 3.866 1.00 3.49 H new ATOM 298 N ASN A 22 9.789 -11.565 -2.616 1.00 0.51 N ATOM 299 CA ASN A 22 10.084 -10.936 -3.898 1.00 0.62 C ATOM 300 C ASN A 22 10.910 -9.675 -3.663 1.00 0.58 C ATOM 301 O ASN A 22 10.361 -8.599 -3.430 1.00 0.64 O ATOM 302 CB ASN A 22 8.798 -10.576 -4.655 1.00 0.87 C ATOM 303 CG ASN A 22 7.943 -11.784 -4.998 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.160 -12.446 -6.012 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.948 -12.062 -4.169 1.00 0.80 N ATOM 0 H ASN A 22 9.513 -10.910 -1.884 1.00 0.51 H new ATOM 0 HA ASN A 22 10.646 -11.645 -4.506 1.00 0.62 H new ATOM 0 HB2 ASN A 22 8.211 -9.884 -4.051 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.061 -10.053 -5.574 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.329 -12.849 -4.361 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.801 -11.489 -3.338 1.00 0.80 H new ATOM 312 N PRO A 23 12.245 -9.787 -3.714 1.00 0.55 N ATOM 313 CA PRO A 23 13.139 -8.679 -3.391 1.00 0.61 C ATOM 314 C PRO A 23 13.370 -7.724 -4.570 1.00 0.79 C ATOM 315 O PRO A 23 14.508 -7.407 -4.912 1.00 1.71 O ATOM 316 CB PRO A 23 14.435 -9.388 -3.025 1.00 0.66 C ATOM 317 CG PRO A 23 14.436 -10.632 -3.852 1.00 0.73 C ATOM 318 CD PRO A 23 12.994 -11.000 -4.094 1.00 0.57 C ATOM 0 HA PRO A 23 12.730 -8.046 -2.604 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.302 -8.766 -3.246 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.472 -9.620 -1.961 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.956 -10.468 -4.796 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.959 -11.438 -3.336 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.820 -11.266 -5.137 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.695 -11.858 -3.492 1.00 0.57 H new ATOM 326 N VAL A 24 12.282 -7.258 -5.171 1.00 0.39 N ATOM 327 CA VAL A 24 12.326 -6.292 -6.270 1.00 0.36 C ATOM 328 C VAL A 24 11.132 -5.352 -6.163 1.00 0.32 C ATOM 329 O VAL A 24 9.992 -5.801 -6.192 1.00 0.35 O ATOM 330 CB VAL A 24 12.282 -6.966 -7.665 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.363 -5.916 -8.771 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.394 -7.992 -7.825 1.00 0.48 C ATOM 0 H VAL A 24 11.337 -7.539 -4.910 1.00 0.39 H new ATOM 0 HA VAL A 24 13.271 -5.756 -6.181 1.00 0.36 H new ATOM 0 HB VAL A 24 11.330 -7.491 -7.748 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.331 -6.408 -9.743 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.521 -5.230 -8.684 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.296 -5.360 -8.677 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.332 -8.444 -8.815 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.361 -7.502 -7.710 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.287 -8.766 -7.065 1.00 0.48 H new ATOM 342 N SER A 25 11.393 -4.064 -5.995 1.00 0.32 N ATOM 343 CA SER A 25 10.327 -3.073 -5.915 1.00 0.32 C ATOM 344 C SER A 25 10.244 -2.270 -7.213 1.00 0.32 C ATOM 345 O SER A 25 11.245 -2.119 -7.909 1.00 0.36 O ATOM 346 CB SER A 25 10.583 -2.153 -4.719 1.00 0.42 C ATOM 347 OG SER A 25 11.907 -1.638 -4.742 1.00 1.12 O ATOM 0 H SER A 25 12.334 -3.679 -5.911 1.00 0.32 H new ATOM 0 HA SER A 25 9.371 -3.579 -5.776 1.00 0.32 H new ATOM 0 HB2 SER A 25 9.869 -1.329 -4.731 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.420 -2.703 -3.792 1.00 0.42 H new ATOM 0 HG SER A 25 12.044 -1.052 -3.968 1.00 1.12 H new ATOM 353 N ARG A 26 9.055 -1.745 -7.535 1.00 0.32 N ATOM 354 CA ARG A 26 8.897 -0.848 -8.692 1.00 0.34 C ATOM 355 C ARG A 26 9.648 0.456 -8.464 1.00 0.37 C ATOM 356 O ARG A 26 9.802 1.267 -9.377 1.00 0.44 O ATOM 357 CB ARG A 26 7.423 -0.546 -8.989 1.00 0.39 C ATOM 358 CG ARG A 26 6.776 -1.508 -9.980 1.00 0.52 C ATOM 359 CD ARG A 26 6.992 -2.961 -9.589 1.00 0.82 C ATOM 360 NE ARG A 26 6.500 -3.892 -10.601 1.00 1.21 N ATOM 361 CZ ARG A 26 6.469 -5.216 -10.443 1.00 1.88 C ATOM 362 NH1 ARG A 26 6.909 -5.771 -9.317 1.00 2.47 N ATOM 363 NH2 ARG A 26 6.001 -5.984 -11.417 1.00 2.54 N ATOM 0 H ARG A 26 8.194 -1.922 -7.017 1.00 0.32 H new ATOM 0 HA ARG A 26 9.316 -1.365 -9.555 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.863 -0.573 -8.055 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.343 0.469 -9.379 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.707 -1.304 -10.038 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.188 -1.335 -10.974 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.055 -3.136 -9.426 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.488 -3.158 -8.643 1.00 0.82 H new ATOM 0 HE ARG A 26 6.160 -3.506 -11.482 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.273 -5.183 -8.567 1.00 2.47 H new ATOM 0 HH12 ARG A 26 6.882 -6.784 -9.203 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.666 -5.562 -12.283 1.00 2.54 H new ATOM 0 HH22 ARG A 26 5.976 -6.997 -11.300 1.00 2.54 H new ATOM 377 N ARG A 27 10.112 0.648 -7.237 1.00 0.36 N ATOM 378 CA ARG A 27 10.915 1.807 -6.891 1.00 0.44 C ATOM 379 C ARG A 27 12.324 1.628 -7.432 1.00 0.53 C ATOM 380 O ARG A 27 12.932 2.559 -7.957 1.00 0.73 O ATOM 381 CB ARG A 27 10.986 1.974 -5.374 1.00 0.52 C ATOM 382 CG ARG A 27 11.315 3.390 -4.934 1.00 0.55 C ATOM 383 CD ARG A 27 12.100 3.414 -3.630 1.00 0.70 C ATOM 384 NE ARG A 27 13.473 2.944 -3.809 1.00 0.91 N ATOM 385 CZ ARG A 27 14.282 2.606 -2.805 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.871 2.700 -1.546 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.517 2.196 -3.064 1.00 1.63 N ATOM 0 H ARG A 27 9.943 0.009 -6.460 1.00 0.36 H new ATOM 0 HA ARG A 27 10.454 2.692 -7.328 1.00 0.44 H new ATOM 0 HB2 ARG A 27 10.031 1.680 -4.939 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.740 1.294 -4.977 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.892 3.887 -5.714 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.391 3.955 -4.812 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.113 4.429 -3.233 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.596 2.790 -2.892 1.00 0.70 H new ATOM 0 HE ARG A 27 13.834 2.870 -4.760 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.929 3.033 -1.341 1.00 1.77 H new ATOM 0 HH12 ARG A 27 14.497 2.439 -0.784 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.844 2.140 -4.029 1.00 1.63 H new ATOM 0 HH22 ARG A 27 16.139 1.936 -2.299 1.00 1.63 H new ATOM 401 N THR A 28 12.828 0.411 -7.302 1.00 0.45 N ATOM 402 CA THR A 28 14.197 0.100 -7.672 1.00 0.53 C ATOM 403 C THR A 28 14.271 -0.469 -9.079 1.00 0.55 C ATOM 404 O THR A 28 15.226 -0.218 -9.819 1.00 0.67 O ATOM 405 CB THR A 28 14.782 -0.928 -6.691 1.00 0.55 C ATOM 406 OG1 THR A 28 13.917 -2.071 -6.614 1.00 0.55 O ATOM 407 CG2 THR A 28 14.921 -0.327 -5.310 1.00 0.53 C ATOM 0 H THR A 28 12.302 -0.384 -6.939 1.00 0.45 H new ATOM 0 HA THR A 28 14.771 1.026 -7.635 1.00 0.53 H new ATOM 0 HB THR A 28 15.766 -1.226 -7.053 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.206 -1.900 -5.962 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.337 -1.070 -4.630 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.585 0.536 -5.354 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.941 -0.013 -4.949 1.00 0.53 H new ATOM 415 N GLY A 29 13.254 -1.239 -9.433 1.00 0.47 N ATOM 416 CA GLY A 29 13.172 -1.836 -10.755 1.00 0.52 C ATOM 417 C GLY A 29 14.067 -3.053 -10.903 1.00 0.58 C ATOM 418 O GLY A 29 13.717 -4.014 -11.587 1.00 0.82 O ATOM 0 H GLY A 29 12.471 -1.465 -8.820 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.140 -2.122 -10.957 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.449 -1.093 -11.503 1.00 0.52 H new ATOM 422 N ASP A 30 15.220 -3.010 -10.252 1.00 0.53 N ATOM 423 CA ASP A 30 16.180 -4.100 -10.306 1.00 0.58 C ATOM 424 C ASP A 30 15.984 -5.030 -9.121 1.00 0.55 C ATOM 425 O ASP A 30 15.547 -6.165 -9.282 1.00 0.84 O ATOM 426 CB ASP A 30 17.611 -3.559 -10.313 1.00 0.67 C ATOM 427 CG ASP A 30 18.641 -4.667 -10.319 1.00 1.31 C ATOM 428 OD1 ASP A 30 19.015 -5.133 -11.414 1.00 1.69 O ATOM 429 OD2 ASP A 30 19.080 -5.081 -9.227 1.00 2.10 O ATOM 0 H ASP A 30 15.515 -2.222 -9.675 1.00 0.53 H new ATOM 0 HA ASP A 30 16.015 -4.657 -11.228 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.754 -2.927 -11.190 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.763 -2.928 -9.437 1.00 0.67 H new ATOM 434 N SER A 31 16.314 -4.546 -7.931 1.00 0.53 N ATOM 435 CA SER A 31 16.103 -5.310 -6.716 1.00 0.50 C ATOM 436 C SER A 31 15.962 -4.392 -5.511 1.00 0.42 C ATOM 437 O SER A 31 16.523 -3.297 -5.477 1.00 0.48 O ATOM 438 CB SER A 31 17.247 -6.298 -6.499 1.00 0.62 C ATOM 439 OG SER A 31 18.507 -5.676 -6.698 1.00 1.08 O ATOM 0 H SER A 31 16.729 -3.626 -7.785 1.00 0.53 H new ATOM 0 HA SER A 31 15.174 -5.869 -6.828 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.194 -6.703 -5.489 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.141 -7.138 -7.185 1.00 0.62 H new ATOM 0 HG SER A 31 18.742 -5.710 -7.649 1.00 1.08 H new ATOM 445 N THR A 32 15.205 -4.846 -4.529 1.00 0.34 N ATOM 446 CA THR A 32 15.022 -4.103 -3.294 1.00 0.29 C ATOM 447 C THR A 32 15.668 -4.882 -2.147 1.00 0.27 C ATOM 448 O THR A 32 15.261 -4.807 -0.990 1.00 0.28 O ATOM 449 CB THR A 32 13.517 -3.845 -3.036 1.00 0.27 C ATOM 450 OG1 THR A 32 13.315 -2.927 -1.965 1.00 0.27 O ATOM 451 CG2 THR A 32 12.781 -5.137 -2.744 1.00 0.29 C ATOM 0 H THR A 32 14.703 -5.733 -4.563 1.00 0.34 H new ATOM 0 HA THR A 32 15.505 -3.129 -3.370 1.00 0.29 H new ATOM 0 HB THR A 32 13.113 -3.405 -3.948 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.496 -3.164 -1.481 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.727 -4.923 -2.567 1.00 0.29 H new ATOM 0 HG22 THR A 32 12.877 -5.811 -3.595 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.209 -5.608 -1.859 1.00 0.29 H new ATOM 459 N ALA A 33 16.715 -5.616 -2.502 1.00 0.31 N ATOM 460 CA ALA A 33 17.412 -6.503 -1.585 1.00 0.32 C ATOM 461 C ALA A 33 18.391 -5.745 -0.686 1.00 0.34 C ATOM 462 O ALA A 33 19.051 -6.332 0.167 1.00 0.37 O ATOM 463 CB ALA A 33 18.129 -7.593 -2.362 1.00 0.37 C ATOM 0 H ALA A 33 17.106 -5.611 -3.444 1.00 0.31 H new ATOM 0 HA ALA A 33 16.668 -6.959 -0.932 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.649 -8.253 -1.668 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.403 -8.169 -2.935 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.851 -7.140 -3.042 1.00 0.37 H new ATOM 469 N ASP A 34 18.517 -4.451 -0.908 1.00 0.35 N ATOM 470 CA ASP A 34 19.384 -3.620 -0.076 1.00 0.40 C ATOM 471 C ASP A 34 18.580 -3.008 1.065 1.00 0.36 C ATOM 472 O ASP A 34 19.116 -2.675 2.124 1.00 0.43 O ATOM 473 CB ASP A 34 20.037 -2.514 -0.907 1.00 0.49 C ATOM 474 CG ASP A 34 21.059 -1.723 -0.115 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.230 -2.156 -0.051 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.702 -0.668 0.449 1.00 2.21 O ATOM 0 H ASP A 34 18.035 -3.948 -1.653 1.00 0.35 H new ATOM 0 HA ASP A 34 20.171 -4.250 0.337 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.520 -2.955 -1.779 1.00 0.49 H new ATOM 0 HB3 ASP A 34 19.266 -1.838 -1.277 1.00 0.49 H new ATOM 481 N VAL A 35 17.284 -2.886 0.840 1.00 0.31 N ATOM 482 CA VAL A 35 16.380 -2.312 1.820 1.00 0.28 C ATOM 483 C VAL A 35 15.678 -3.421 2.608 1.00 0.25 C ATOM 484 O VAL A 35 15.244 -4.422 2.040 1.00 0.25 O ATOM 485 CB VAL A 35 15.360 -1.349 1.140 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.307 -1.574 -0.365 1.00 0.28 C ATOM 487 CG2 VAL A 35 13.970 -1.483 1.742 1.00 0.26 C ATOM 0 H VAL A 35 16.830 -3.181 -0.024 1.00 0.31 H new ATOM 0 HA VAL A 35 16.960 -1.718 2.526 1.00 0.28 H new ATOM 0 HB VAL A 35 15.710 -0.334 1.326 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.587 -0.888 -0.810 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.293 -1.395 -0.795 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.004 -2.601 -0.569 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.289 -0.795 1.241 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.614 -2.505 1.612 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.009 -1.245 2.805 1.00 0.26 H new ATOM 497 N THR A 36 15.599 -3.244 3.920 1.00 0.25 N ATOM 498 CA THR A 36 15.024 -4.242 4.810 1.00 0.27 C ATOM 499 C THR A 36 13.570 -3.906 5.087 1.00 0.23 C ATOM 500 O THR A 36 13.083 -2.905 4.577 1.00 0.20 O ATOM 501 CB THR A 36 15.791 -4.271 6.140 1.00 0.31 C ATOM 502 OG1 THR A 36 15.870 -2.942 6.674 1.00 0.30 O ATOM 503 CG2 THR A 36 17.190 -4.832 5.947 1.00 0.39 C ATOM 0 H THR A 36 15.931 -2.405 4.396 1.00 0.25 H new ATOM 0 HA THR A 36 15.094 -5.218 4.330 1.00 0.27 H new ATOM 0 HB THR A 36 15.257 -4.917 6.836 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.358 -2.959 7.524 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.713 -4.842 6.903 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.124 -5.848 5.559 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.738 -4.208 5.240 1.00 0.39 H new ATOM 511 N TYR A 37 12.867 -4.700 5.893 1.00 0.26 N ATOM 512 CA TYR A 37 11.516 -4.304 6.275 1.00 0.27 C ATOM 513 C TYR A 37 11.562 -3.032 7.109 1.00 0.23 C ATOM 514 O TYR A 37 10.605 -2.272 7.137 1.00 0.23 O ATOM 515 CB TYR A 37 10.716 -5.407 6.998 1.00 0.38 C ATOM 516 CG TYR A 37 11.458 -6.230 8.030 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.419 -5.668 8.853 1.00 0.68 C ATOM 518 CD2 TYR A 37 11.172 -7.579 8.182 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.085 -6.426 9.797 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.831 -8.347 9.124 1.00 1.53 C ATOM 521 CZ TYR A 37 12.789 -7.764 9.927 1.00 1.12 C ATOM 522 OH TYR A 37 13.453 -8.520 10.868 1.00 1.50 O ATOM 0 H TYR A 37 13.194 -5.585 6.280 1.00 0.26 H new ATOM 0 HA TYR A 37 10.977 -4.119 5.346 1.00 0.27 H new ATOM 0 HB2 TYR A 37 9.862 -4.940 7.488 1.00 0.38 H new ATOM 0 HB3 TYR A 37 10.319 -6.087 6.244 1.00 0.38 H new ATOM 0 HD1 TYR A 37 12.652 -4.618 8.755 1.00 0.68 H new ATOM 0 HD2 TYR A 37 10.422 -8.037 7.554 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.833 -5.971 10.429 1.00 0.74 H new ATOM 0 HE2 TYR A 37 11.597 -9.396 9.230 1.00 1.53 H new ATOM 0 HH TYR A 37 13.128 -9.444 10.834 1.00 1.50 H new ATOM 532 N GLU A 38 12.700 -2.781 7.744 1.00 0.23 N ATOM 533 CA GLU A 38 12.882 -1.564 8.515 1.00 0.24 C ATOM 534 C GLU A 38 12.987 -0.377 7.577 1.00 0.24 C ATOM 535 O GLU A 38 12.334 0.641 7.777 1.00 0.26 O ATOM 536 CB GLU A 38 14.138 -1.649 9.376 1.00 0.29 C ATOM 537 CG GLU A 38 14.191 -2.876 10.261 1.00 0.35 C ATOM 538 CD GLU A 38 15.356 -2.839 11.219 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.491 -3.146 10.793 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.142 -2.505 12.401 1.00 0.93 O ATOM 0 H GLU A 38 13.507 -3.404 7.739 1.00 0.23 H new ATOM 0 HA GLU A 38 12.021 -1.439 9.171 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.013 -1.643 8.727 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.199 -0.758 10.002 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.262 -2.955 10.825 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.263 -3.768 9.638 1.00 0.35 H new ATOM 547 N ASP A 39 13.802 -0.519 6.539 1.00 0.24 N ATOM 548 CA ASP A 39 13.933 0.531 5.533 1.00 0.26 C ATOM 549 C ASP A 39 12.672 0.620 4.694 1.00 0.22 C ATOM 550 O ASP A 39 12.323 1.682 4.185 1.00 0.23 O ATOM 551 CB ASP A 39 15.147 0.295 4.637 1.00 0.31 C ATOM 552 CG ASP A 39 16.441 0.644 5.329 1.00 0.61 C ATOM 553 OD1 ASP A 39 16.607 1.805 5.746 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.307 -0.248 5.454 1.00 0.82 O ATOM 0 H ASP A 39 14.379 -1.344 6.371 1.00 0.24 H new ATOM 0 HA ASP A 39 14.079 1.476 6.056 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.172 -0.750 4.329 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.049 0.892 3.730 1.00 0.31 H new ATOM 559 N ALA A 40 11.993 -0.504 4.559 1.00 0.19 N ATOM 560 CA ALA A 40 10.714 -0.550 3.872 1.00 0.18 C ATOM 561 C ALA A 40 9.678 0.234 4.659 1.00 0.16 C ATOM 562 O ALA A 40 8.924 1.027 4.097 1.00 0.17 O ATOM 563 CB ALA A 40 10.262 -1.988 3.674 1.00 0.18 C ATOM 0 H ALA A 40 12.309 -1.405 4.919 1.00 0.19 H new ATOM 0 HA ALA A 40 10.827 -0.095 2.888 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.302 -2.000 3.158 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.001 -2.523 3.078 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.158 -2.474 4.644 1.00 0.18 H new ATOM 569 N ILE A 41 9.649 0.012 5.969 1.00 0.16 N ATOM 570 CA ILE A 41 8.795 0.787 6.851 1.00 0.18 C ATOM 571 C ILE A 41 9.244 2.234 6.855 1.00 0.20 C ATOM 572 O ILE A 41 8.425 3.148 6.839 1.00 0.21 O ATOM 573 CB ILE A 41 8.795 0.233 8.298 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.167 -1.160 8.337 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.053 1.171 9.239 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.176 -1.795 9.708 1.00 0.30 C ATOM 0 H ILE A 41 10.208 -0.699 6.440 1.00 0.16 H new ATOM 0 HA ILE A 41 7.776 0.714 6.472 1.00 0.18 H new ATOM 0 HB ILE A 41 9.830 0.161 8.632 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.138 -1.094 7.984 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.701 -1.809 7.643 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.067 0.760 10.248 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.539 2.147 9.238 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.021 1.279 8.906 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.714 -2.781 9.655 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.204 -1.894 10.056 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.616 -1.169 10.403 1.00 0.30 H new ATOM 588 N LYS A 42 10.554 2.433 6.821 1.00 0.22 N ATOM 589 CA LYS A 42 11.119 3.767 6.813 1.00 0.28 C ATOM 590 C LYS A 42 10.729 4.497 5.533 1.00 0.28 C ATOM 591 O LYS A 42 10.758 5.720 5.470 1.00 0.37 O ATOM 592 CB LYS A 42 12.642 3.708 6.945 1.00 0.31 C ATOM 593 CG LYS A 42 13.240 4.978 7.528 1.00 0.85 C ATOM 594 CD LYS A 42 14.754 4.901 7.681 1.00 1.14 C ATOM 595 CE LYS A 42 15.484 5.339 6.417 1.00 1.46 C ATOM 596 NZ LYS A 42 15.484 4.295 5.361 1.00 2.32 N ATOM 0 H LYS A 42 11.244 1.682 6.799 1.00 0.22 H new ATOM 0 HA LYS A 42 10.720 4.315 7.666 1.00 0.28 H new ATOM 0 HB2 LYS A 42 12.913 2.862 7.577 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.079 3.525 5.963 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.987 5.822 6.886 1.00 0.85 H new ATOM 0 HG3 LYS A 42 12.790 5.172 8.502 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.066 5.530 8.515 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.041 3.879 7.928 1.00 1.14 H new ATOM 0 HE2 LYS A 42 15.016 6.243 6.028 1.00 1.46 H new ATOM 0 HE3 LYS A 42 16.513 5.596 6.668 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.280 4.458 4.712 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 15.581 3.357 5.800 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 14.591 4.338 4.830 1.00 2.32 H new ATOM 610 N GLU A 43 10.363 3.729 4.517 1.00 0.22 N ATOM 611 CA GLU A 43 9.896 4.292 3.261 1.00 0.25 C ATOM 612 C GLU A 43 8.396 4.513 3.337 1.00 0.18 C ATOM 613 O GLU A 43 7.906 5.633 3.180 1.00 0.18 O ATOM 614 CB GLU A 43 10.214 3.355 2.091 1.00 0.33 C ATOM 615 CG GLU A 43 9.682 3.849 0.750 1.00 0.34 C ATOM 616 CD GLU A 43 10.765 4.424 -0.136 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.830 3.787 -0.278 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.565 5.520 -0.692 1.00 0.94 O ATOM 0 H GLU A 43 10.381 2.709 4.540 1.00 0.22 H new ATOM 0 HA GLU A 43 10.406 5.240 3.094 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.295 3.230 2.020 1.00 0.33 H new ATOM 0 HB3 GLU A 43 9.793 2.372 2.299 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.195 3.023 0.231 1.00 0.34 H new ATOM 0 HG3 GLU A 43 8.920 4.609 0.924 1.00 0.34 H new ATOM 625 N LEU A 44 7.681 3.428 3.621 1.00 0.16 N ATOM 626 CA LEU A 44 6.229 3.437 3.616 1.00 0.15 C ATOM 627 C LEU A 44 5.687 4.464 4.609 1.00 0.14 C ATOM 628 O LEU A 44 4.674 5.104 4.353 1.00 0.16 O ATOM 629 CB LEU A 44 5.680 2.049 3.960 1.00 0.13 C ATOM 630 CG LEU A 44 4.192 1.851 3.654 1.00 0.15 C ATOM 631 CD1 LEU A 44 3.947 1.871 2.159 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.683 0.554 4.256 1.00 0.14 C ATOM 0 H LEU A 44 8.092 2.526 3.859 1.00 0.16 H new ATOM 0 HA LEU A 44 5.901 3.711 2.613 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.252 1.301 3.410 1.00 0.13 H new ATOM 0 HB3 LEU A 44 5.846 1.861 5.021 1.00 0.13 H new ATOM 0 HG LEU A 44 3.642 2.676 4.106 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.884 1.729 1.963 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.266 2.830 1.751 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.514 1.069 1.687 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.624 0.436 4.025 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.241 -0.284 3.839 1.00 0.14 H new ATOM 0 HD23 LEU A 44 3.818 0.577 5.337 1.00 0.14 H new ATOM 644 N GLN A 45 6.376 4.616 5.739 1.00 0.14 N ATOM 645 CA GLN A 45 5.957 5.548 6.785 1.00 0.14 C ATOM 646 C GLN A 45 6.002 6.987 6.313 1.00 0.17 C ATOM 647 O GLN A 45 5.112 7.770 6.629 1.00 0.27 O ATOM 648 CB GLN A 45 6.820 5.382 8.036 1.00 0.16 C ATOM 649 CG GLN A 45 6.198 4.467 9.074 1.00 0.22 C ATOM 650 CD GLN A 45 5.074 5.143 9.835 1.00 0.36 C ATOM 651 OE1 GLN A 45 3.862 5.043 9.318 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.296 5.757 10.876 1.00 0.44 N flip ATOM 0 H GLN A 45 7.231 4.103 5.954 1.00 0.14 H new ATOM 0 HA GLN A 45 4.922 5.309 7.030 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.793 4.985 7.748 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.994 6.361 8.482 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.815 3.572 8.584 1.00 0.22 H new ATOM 0 HG3 GLN A 45 6.966 4.142 9.776 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.246 5.811 11.243 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.530 6.212 11.373 1.00 0.44 H new ATOM 661 N LYS A 46 7.023 7.333 5.547 1.00 0.14 N ATOM 662 CA LYS A 46 7.170 8.698 5.070 1.00 0.17 C ATOM 663 C LYS A 46 6.097 9.010 4.037 1.00 0.18 C ATOM 664 O LYS A 46 5.491 10.076 4.066 1.00 0.21 O ATOM 665 CB LYS A 46 8.563 8.920 4.469 1.00 0.22 C ATOM 666 CG LYS A 46 9.705 8.590 5.421 1.00 0.27 C ATOM 667 CD LYS A 46 11.062 8.883 4.791 1.00 0.39 C ATOM 668 CE LYS A 46 12.218 8.430 5.676 1.00 0.49 C ATOM 669 NZ LYS A 46 12.088 8.937 7.066 1.00 1.31 N ATOM 0 H LYS A 46 7.757 6.693 5.244 1.00 0.14 H new ATOM 0 HA LYS A 46 7.053 9.372 5.919 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.663 8.309 3.572 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.652 9.961 4.157 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.595 9.171 6.337 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.653 7.538 5.702 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.128 8.382 3.825 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.149 9.953 4.602 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.258 7.341 5.690 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.159 8.778 5.250 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.981 8.783 7.577 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 11.872 9.954 7.046 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.320 8.430 7.550 1.00 1.31 H new ATOM 683 N TRP A 47 5.865 8.076 3.125 1.00 0.16 N ATOM 684 CA TRP A 47 4.802 8.227 2.141 1.00 0.19 C ATOM 685 C TRP A 47 3.431 8.220 2.798 1.00 0.19 C ATOM 686 O TRP A 47 2.608 9.078 2.508 1.00 0.22 O ATOM 687 CB TRP A 47 4.915 7.141 1.076 1.00 0.20 C ATOM 688 CG TRP A 47 6.221 7.238 0.369 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.206 6.296 0.305 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.708 8.383 -0.333 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.276 6.791 -0.394 1.00 0.24 N ATOM 692 CE2 TRP A 47 7.992 8.069 -0.798 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.177 9.645 -0.616 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.756 8.972 -1.524 1.00 0.43 C ATOM 695 CZ3 TRP A 47 6.937 10.538 -1.342 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.215 10.199 -1.788 1.00 0.52 C ATOM 0 H TRP A 47 6.396 7.209 3.046 1.00 0.16 H new ATOM 0 HA TRP A 47 4.918 9.197 1.657 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.817 6.159 1.538 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.099 7.239 0.360 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.151 5.309 0.740 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.144 6.289 -0.583 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.190 9.916 -0.272 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.746 8.713 -1.869 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.537 11.515 -1.569 1.00 0.52 H new ATOM 0 HH2 TRP A 47 8.788 10.920 -2.353 1.00 0.52 H new ATOM 707 N SER A 48 3.205 7.274 3.698 1.00 0.17 N ATOM 708 CA SER A 48 1.959 7.212 4.451 1.00 0.19 C ATOM 709 C SER A 48 1.753 8.521 5.220 1.00 0.20 C ATOM 710 O SER A 48 0.628 8.992 5.376 1.00 0.28 O ATOM 711 CB SER A 48 1.987 6.004 5.404 1.00 0.23 C ATOM 712 OG SER A 48 0.776 5.859 6.128 1.00 0.82 O ATOM 0 H SER A 48 3.871 6.536 3.926 1.00 0.17 H new ATOM 0 HA SER A 48 1.121 7.085 3.765 1.00 0.19 H new ATOM 0 HB2 SER A 48 2.175 5.096 4.831 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.815 6.116 6.104 1.00 0.23 H new ATOM 0 HG SER A 48 0.839 5.079 6.718 1.00 0.82 H new ATOM 718 N GLN A 49 2.859 9.112 5.670 1.00 0.17 N ATOM 719 CA GLN A 49 2.830 10.413 6.328 1.00 0.17 C ATOM 720 C GLN A 49 2.418 11.498 5.347 1.00 0.18 C ATOM 721 O GLN A 49 1.445 12.214 5.567 1.00 0.21 O ATOM 722 CB GLN A 49 4.213 10.766 6.878 1.00 0.19 C ATOM 723 CG GLN A 49 4.184 11.941 7.838 1.00 0.23 C ATOM 724 CD GLN A 49 5.559 12.507 8.111 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.251 12.067 9.029 1.00 0.53 O ATOM 726 NE2 GLN A 49 5.967 13.488 7.318 1.00 0.45 N ATOM 0 H GLN A 49 3.791 8.705 5.589 1.00 0.17 H new ATOM 0 HA GLN A 49 2.108 10.355 7.143 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.628 9.897 7.388 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.880 10.998 6.048 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.548 12.725 7.427 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.733 11.625 8.778 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.362 13.823 6.569 1.00 0.45 H new ATOM 0 HE22 GLN A 49 6.886 13.908 7.457 1.00 0.45 H new ATOM 735 N ARG A 50 3.171 11.605 4.257 1.00 0.16 N ATOM 736 CA ARG A 50 2.960 12.656 3.270 1.00 0.16 C ATOM 737 C ARG A 50 1.572 12.563 2.648 1.00 0.14 C ATOM 738 O ARG A 50 0.910 13.576 2.442 1.00 0.15 O ATOM 739 CB ARG A 50 4.015 12.575 2.171 1.00 0.15 C ATOM 740 CG ARG A 50 5.442 12.786 2.641 1.00 0.19 C ATOM 741 CD ARG A 50 6.401 12.605 1.482 1.00 0.20 C ATOM 742 NE ARG A 50 7.797 12.807 1.859 1.00 0.27 N ATOM 743 CZ ARG A 50 8.770 13.027 0.977 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.480 13.155 -0.311 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.027 13.137 1.381 1.00 0.42 N ATOM 0 H ARG A 50 3.938 10.971 4.035 1.00 0.16 H new ATOM 0 HA ARG A 50 3.045 13.612 3.786 1.00 0.16 H new ATOM 0 HB2 ARG A 50 3.946 11.598 1.692 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.784 13.320 1.410 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.551 13.786 3.061 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.681 12.078 3.435 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.283 11.602 1.073 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.140 13.305 0.689 1.00 0.20 H new ATOM 0 HE ARG A 50 8.039 12.778 2.849 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.512 13.085 -0.625 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.225 13.324 -0.987 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.253 13.053 2.372 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.768 13.306 0.701 1.00 0.42 H new ATOM 759 N ILE A 51 1.145 11.348 2.338 1.00 0.13 N ATOM 760 CA ILE A 51 -0.188 11.113 1.800 1.00 0.13 C ATOM 761 C ILE A 51 -1.254 11.573 2.792 1.00 0.16 C ATOM 762 O ILE A 51 -2.267 12.163 2.407 1.00 0.20 O ATOM 763 CB ILE A 51 -0.396 9.615 1.465 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.563 9.183 0.350 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.838 9.350 1.055 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.558 7.691 0.085 1.00 0.13 C ATOM 0 H ILE A 51 1.706 10.504 2.451 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.283 11.691 0.881 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.181 9.029 2.359 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.298 9.707 -0.568 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.574 9.493 0.613 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.962 8.292 0.824 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.505 9.624 1.873 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.081 9.944 0.174 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.261 7.461 -0.716 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.853 7.160 0.990 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.443 7.377 -0.210 1.00 0.13 H new ATOM 778 N ALA A 52 -1.005 11.321 4.072 1.00 0.16 N ATOM 779 CA ALA A 52 -1.937 11.688 5.127 1.00 0.20 C ATOM 780 C ALA A 52 -1.942 13.196 5.376 1.00 0.22 C ATOM 781 O ALA A 52 -2.997 13.794 5.597 1.00 0.27 O ATOM 782 CB ALA A 52 -1.593 10.942 6.407 1.00 0.21 C ATOM 0 H ALA A 52 -0.158 10.860 4.404 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.939 11.405 4.803 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.296 11.223 7.192 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.656 9.868 6.230 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.580 11.200 6.717 1.00 0.21 H new ATOM 788 N SER A 53 -0.767 13.809 5.339 1.00 0.22 N ATOM 789 CA SER A 53 -0.645 15.234 5.618 1.00 0.26 C ATOM 790 C SER A 53 -1.064 16.079 4.416 1.00 0.28 C ATOM 791 O SER A 53 -1.586 17.184 4.570 1.00 0.35 O ATOM 792 CB SER A 53 0.797 15.558 6.013 1.00 0.28 C ATOM 793 OG SER A 53 1.703 15.122 5.013 1.00 0.26 O ATOM 0 H SER A 53 0.114 13.344 5.119 1.00 0.22 H new ATOM 0 HA SER A 53 -1.315 15.478 6.443 1.00 0.26 H new ATOM 0 HB2 SER A 53 0.905 16.632 6.164 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.036 15.077 6.961 1.00 0.28 H new ATOM 0 HG SER A 53 1.205 14.700 4.282 1.00 0.26 H new ATOM 799 N GLY A 54 -0.861 15.543 3.220 1.00 0.25 N ATOM 800 CA GLY A 54 -1.200 16.272 2.015 1.00 0.28 C ATOM 801 C GLY A 54 0.033 16.759 1.278 1.00 0.26 C ATOM 802 O GLY A 54 -0.068 17.544 0.334 1.00 0.30 O ATOM 0 H GLY A 54 -0.467 14.615 3.063 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.786 15.631 1.356 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.829 17.124 2.272 1.00 0.28 H new ATOM 806 N GLU A 55 1.198 16.297 1.719 1.00 0.23 N ATOM 807 CA GLU A 55 2.460 16.643 1.073 1.00 0.23 C ATOM 808 C GLU A 55 2.498 16.074 -0.342 1.00 0.20 C ATOM 809 O GLU A 55 2.897 16.750 -1.288 1.00 0.24 O ATOM 810 CB GLU A 55 3.637 16.110 1.891 1.00 0.24 C ATOM 811 CG GLU A 55 3.753 16.732 3.274 1.00 0.42 C ATOM 812 CD GLU A 55 4.819 16.071 4.124 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.020 16.231 3.810 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.462 15.385 5.105 1.00 0.65 O ATOM 0 H GLU A 55 1.295 15.679 2.525 1.00 0.23 H new ATOM 0 HA GLU A 55 2.539 17.729 1.016 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.535 15.030 1.996 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.561 16.292 1.342 1.00 0.24 H new ATOM 0 HG2 GLU A 55 3.981 17.793 3.173 1.00 0.42 H new ATOM 0 HG3 GLU A 55 2.792 16.659 3.783 1.00 0.42 H new ATOM 821 N VAL A 56 2.074 14.823 -0.473 1.00 0.17 N ATOM 822 CA VAL A 56 1.925 14.187 -1.777 1.00 0.15 C ATOM 823 C VAL A 56 0.642 13.385 -1.803 1.00 0.15 C ATOM 824 O VAL A 56 0.152 12.951 -0.760 1.00 0.19 O ATOM 825 CB VAL A 56 3.104 13.249 -2.139 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.388 14.029 -2.343 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.295 12.173 -1.087 1.00 0.15 C ATOM 0 H VAL A 56 1.825 14.224 0.315 1.00 0.17 H new ATOM 0 HA VAL A 56 1.908 14.989 -2.515 1.00 0.15 H new ATOM 0 HB VAL A 56 2.852 12.761 -3.081 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.195 13.341 -2.596 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.254 14.745 -3.154 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.639 14.562 -1.426 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.129 11.531 -1.370 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.506 12.639 -0.124 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.387 11.575 -1.010 1.00 0.15 H new ATOM 837 N SER A 57 0.092 13.205 -2.986 1.00 0.13 N ATOM 838 CA SER A 57 -1.086 12.384 -3.144 1.00 0.15 C ATOM 839 C SER A 57 -0.688 10.920 -3.097 1.00 0.15 C ATOM 840 O SER A 57 0.477 10.593 -3.347 1.00 0.18 O ATOM 841 CB SER A 57 -1.782 12.701 -4.467 1.00 0.22 C ATOM 842 OG SER A 57 -2.012 14.093 -4.603 1.00 0.97 O ATOM 0 H SER A 57 0.443 13.617 -3.851 1.00 0.13 H new ATOM 0 HA SER A 57 -1.782 12.595 -2.332 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.170 12.348 -5.297 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.730 12.166 -4.520 1.00 0.22 H new ATOM 0 HG SER A 57 -2.457 14.269 -5.458 1.00 0.97 H new ATOM 848 N PHE A 58 -1.629 10.042 -2.777 1.00 0.16 N ATOM 849 CA PHE A 58 -1.348 8.614 -2.750 1.00 0.16 C ATOM 850 C PHE A 58 -0.774 8.191 -4.098 1.00 0.18 C ATOM 851 O PHE A 58 0.197 7.435 -4.173 1.00 0.19 O ATOM 852 CB PHE A 58 -2.625 7.830 -2.443 1.00 0.18 C ATOM 853 CG PHE A 58 -2.382 6.469 -1.851 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.798 5.465 -2.601 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.748 6.194 -0.543 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.581 4.216 -2.060 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.533 4.947 0.005 1.00 0.21 C ATOM 858 CZ PHE A 58 -1.949 3.955 -0.755 1.00 0.22 C ATOM 0 H PHE A 58 -2.588 10.292 -2.534 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.621 8.401 -1.967 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.238 8.410 -1.753 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.199 7.717 -3.362 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.508 5.662 -3.623 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.208 6.967 0.055 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.123 3.441 -2.657 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.821 4.748 1.027 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.780 2.976 -0.330 1.00 0.22 H new ATOM 868 N GLU A 59 -1.365 8.740 -5.151 1.00 0.20 N ATOM 869 CA GLU A 59 -0.942 8.480 -6.520 1.00 0.22 C ATOM 870 C GLU A 59 0.536 8.803 -6.739 1.00 0.24 C ATOM 871 O GLU A 59 1.267 8.000 -7.320 1.00 0.31 O ATOM 872 CB GLU A 59 -1.798 9.296 -7.484 1.00 0.27 C ATOM 873 CG GLU A 59 -3.276 8.962 -7.409 1.00 0.36 C ATOM 874 CD GLU A 59 -4.114 9.843 -8.307 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.240 9.523 -9.506 1.00 1.72 O ATOM 876 OE2 GLU A 59 -4.648 10.859 -7.818 1.00 0.96 O ATOM 0 H GLU A 59 -2.155 9.381 -5.079 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.075 7.415 -6.710 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.662 10.356 -7.271 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.446 9.128 -8.502 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.424 7.919 -7.688 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.618 9.068 -6.379 1.00 0.36 H new ATOM 883 N GLU A 60 0.973 9.970 -6.260 1.00 0.23 N ATOM 884 CA GLU A 60 2.346 10.421 -6.481 1.00 0.24 C ATOM 885 C GLU A 60 3.346 9.448 -5.869 1.00 0.23 C ATOM 886 O GLU A 60 4.343 9.092 -6.492 1.00 0.26 O ATOM 887 CB GLU A 60 2.569 11.818 -5.894 1.00 0.25 C ATOM 888 CG GLU A 60 1.683 12.893 -6.505 1.00 0.29 C ATOM 889 CD GLU A 60 1.968 14.270 -5.942 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.841 14.976 -6.493 1.00 1.24 O ATOM 891 OE2 GLU A 60 1.323 14.657 -4.947 1.00 2.09 O ATOM 0 H GLU A 60 0.398 10.616 -5.719 1.00 0.23 H new ATOM 0 HA GLU A 60 2.504 10.461 -7.559 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.391 11.782 -4.819 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.613 12.098 -6.035 1.00 0.25 H new ATOM 0 HG2 GLU A 60 1.829 12.909 -7.585 1.00 0.29 H new ATOM 0 HG3 GLU A 60 0.637 12.641 -6.328 1.00 0.29 H new ATOM 898 N ALA A 61 3.072 9.014 -4.650 1.00 0.22 N ATOM 899 CA ALA A 61 3.967 8.104 -3.958 1.00 0.23 C ATOM 900 C ALA A 61 3.913 6.711 -4.574 1.00 0.22 C ATOM 901 O ALA A 61 4.945 6.084 -4.798 1.00 0.26 O ATOM 902 CB ALA A 61 3.623 8.042 -2.479 1.00 0.24 C ATOM 0 H ALA A 61 2.240 9.276 -4.121 1.00 0.22 H new ATOM 0 HA ALA A 61 4.983 8.484 -4.065 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.304 7.355 -1.976 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.720 9.035 -2.041 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.598 7.691 -2.358 1.00 0.24 H new ATOM 908 N ALA A 62 2.707 6.245 -4.868 1.00 0.20 N ATOM 909 CA ALA A 62 2.509 4.890 -5.360 1.00 0.20 C ATOM 910 C ALA A 62 3.200 4.657 -6.703 1.00 0.21 C ATOM 911 O ALA A 62 3.982 3.725 -6.841 1.00 0.24 O ATOM 912 CB ALA A 62 1.028 4.578 -5.461 1.00 0.20 C ATOM 0 H ALA A 62 1.849 6.788 -4.774 1.00 0.20 H new ATOM 0 HA ALA A 62 2.968 4.212 -4.641 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.895 3.561 -5.830 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.569 4.670 -4.477 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.555 5.279 -6.149 1.00 0.20 H new ATOM 918 N SER A 63 2.924 5.515 -7.677 1.00 0.21 N ATOM 919 CA SER A 63 3.480 5.372 -9.022 1.00 0.23 C ATOM 920 C SER A 63 5.005 5.208 -9.029 1.00 0.24 C ATOM 921 O SER A 63 5.557 4.582 -9.933 1.00 0.27 O ATOM 922 CB SER A 63 3.084 6.575 -9.876 1.00 0.26 C ATOM 923 OG SER A 63 1.678 6.624 -10.062 1.00 1.00 O ATOM 0 H SER A 63 2.314 6.324 -7.562 1.00 0.21 H new ATOM 0 HA SER A 63 3.063 4.456 -9.441 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.424 7.493 -9.397 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.581 6.518 -10.844 1.00 0.26 H new ATOM 0 HG SER A 63 1.374 5.791 -10.479 1.00 1.00 H new ATOM 929 N GLN A 64 5.681 5.751 -8.026 1.00 0.24 N ATOM 930 CA GLN A 64 7.135 5.694 -7.984 1.00 0.27 C ATOM 931 C GLN A 64 7.599 4.590 -7.056 1.00 0.26 C ATOM 932 O GLN A 64 8.511 3.827 -7.368 1.00 0.29 O ATOM 933 CB GLN A 64 7.692 7.026 -7.488 1.00 0.31 C ATOM 934 CG GLN A 64 7.074 8.222 -8.185 1.00 0.35 C ATOM 935 CD GLN A 64 7.579 9.549 -7.657 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.595 10.070 -8.116 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.853 10.122 -6.711 1.00 0.35 N ATOM 0 H GLN A 64 5.250 6.232 -7.237 1.00 0.24 H new ATOM 0 HA GLN A 64 7.498 5.491 -8.991 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.520 7.109 -6.415 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.771 7.041 -7.640 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.284 8.160 -9.253 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.991 8.181 -8.070 1.00 0.35 H new ATOM 0 HE21 GLN A 64 6.017 9.657 -6.357 1.00 0.35 H new ATOM 0 HE22 GLN A 64 7.129 11.029 -6.335 1.00 0.35 H new ATOM 946 N ARG A 65 6.962 4.530 -5.904 1.00 0.26 N ATOM 947 CA ARG A 65 7.406 3.666 -4.825 1.00 0.28 C ATOM 948 C ARG A 65 6.711 2.306 -4.806 1.00 0.27 C ATOM 949 O ARG A 65 7.365 1.283 -4.599 1.00 0.32 O ATOM 950 CB ARG A 65 7.188 4.386 -3.501 1.00 0.33 C ATOM 951 CG ARG A 65 7.832 5.761 -3.471 1.00 0.37 C ATOM 952 CD ARG A 65 9.324 5.667 -3.748 1.00 0.43 C ATOM 953 NE ARG A 65 10.065 6.840 -3.294 1.00 0.58 N ATOM 954 CZ ARG A 65 10.924 7.526 -4.048 1.00 0.66 C ATOM 955 NH1 ARG A 65 11.085 7.226 -5.331 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.621 8.523 -3.517 1.00 0.86 N ATOM 0 H ARG A 65 6.127 5.075 -5.688 1.00 0.26 H new ATOM 0 HA ARG A 65 8.464 3.458 -4.987 1.00 0.28 H new ATOM 0 HB2 ARG A 65 6.118 4.486 -3.318 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.595 3.781 -2.691 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.360 6.404 -4.213 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.667 6.223 -2.498 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.724 4.780 -3.257 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.481 5.537 -4.819 1.00 0.43 H new ATOM 0 HE ARG A 65 9.915 7.156 -2.336 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.549 6.465 -5.748 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.745 7.757 -5.900 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.499 8.763 -2.533 1.00 0.86 H new ATOM 0 HH22 ARG A 65 12.279 9.049 -4.093 1.00 0.86 H new ATOM 970 N SER A 66 5.398 2.290 -5.007 1.00 0.25 N ATOM 971 CA SER A 66 4.628 1.055 -4.877 1.00 0.25 C ATOM 972 C SER A 66 5.066 0.012 -5.898 1.00 0.23 C ATOM 973 O SER A 66 5.129 0.282 -7.096 1.00 0.24 O ATOM 974 CB SER A 66 3.122 1.315 -5.014 1.00 0.24 C ATOM 975 OG SER A 66 2.714 1.427 -6.368 1.00 0.82 O ATOM 0 H SER A 66 4.847 3.110 -5.259 1.00 0.25 H new ATOM 0 HA SER A 66 4.825 0.666 -3.878 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.571 0.504 -4.537 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.864 2.231 -4.483 1.00 0.24 H new ATOM 0 HG SER A 66 3.286 2.075 -6.830 1.00 0.82 H new ATOM 981 N ASP A 67 5.371 -1.177 -5.401 1.00 0.25 N ATOM 982 CA ASP A 67 5.739 -2.302 -6.248 1.00 0.28 C ATOM 983 C ASP A 67 4.496 -2.980 -6.809 1.00 0.31 C ATOM 984 O ASP A 67 4.567 -3.797 -7.725 1.00 0.48 O ATOM 985 CB ASP A 67 6.585 -3.300 -5.461 1.00 0.39 C ATOM 986 CG ASP A 67 6.912 -4.537 -6.266 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.778 -4.455 -7.153 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.297 -5.591 -6.017 1.00 2.28 O ATOM 0 H ASP A 67 5.371 -1.389 -4.403 1.00 0.25 H new ATOM 0 HA ASP A 67 6.330 -1.928 -7.084 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.511 -2.819 -5.146 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.052 -3.589 -4.555 1.00 0.39 H new ATOM 993 N CYS A 68 3.346 -2.610 -6.279 1.00 0.24 N ATOM 994 CA CYS A 68 2.094 -3.178 -6.734 1.00 0.26 C ATOM 995 C CYS A 68 1.705 -2.579 -8.070 1.00 0.27 C ATOM 996 O CYS A 68 2.033 -1.431 -8.370 1.00 0.38 O ATOM 997 CB CYS A 68 1.001 -2.910 -5.709 1.00 0.29 C ATOM 998 SG CYS A 68 0.954 -1.201 -5.118 1.00 1.52 S ATOM 0 H CYS A 68 3.254 -1.919 -5.534 1.00 0.24 H new ATOM 0 HA CYS A 68 2.217 -4.255 -6.852 1.00 0.26 H new ATOM 0 HB2 CYS A 68 0.035 -3.159 -6.149 1.00 0.29 H new ATOM 0 HB3 CYS A 68 1.144 -3.575 -4.857 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.017 -0.566 -5.704 1.00 1.52 H new ATOM 1004 N GLY A 69 0.997 -3.385 -8.854 1.00 0.26 N ATOM 1005 CA GLY A 69 0.673 -3.048 -10.229 1.00 0.25 C ATOM 1006 C GLY A 69 -0.027 -1.717 -10.381 1.00 0.22 C ATOM 1007 O GLY A 69 0.003 -1.124 -11.458 1.00 0.25 O ATOM 0 H GLY A 69 0.633 -4.289 -8.551 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.591 -3.034 -10.816 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.040 -3.831 -10.646 1.00 0.25 H new ATOM 1011 N SER A 70 -0.647 -1.242 -9.308 1.00 0.21 N ATOM 1012 CA SER A 70 -1.317 0.044 -9.317 1.00 0.24 C ATOM 1013 C SER A 70 -0.339 1.218 -9.443 1.00 0.22 C ATOM 1014 O SER A 70 -0.772 2.364 -9.512 1.00 0.25 O ATOM 1015 CB SER A 70 -2.165 0.200 -8.057 1.00 0.31 C ATOM 1016 OG SER A 70 -1.554 -0.445 -6.950 1.00 0.32 O ATOM 0 H SER A 70 -0.697 -1.735 -8.417 1.00 0.21 H new ATOM 0 HA SER A 70 -1.958 0.066 -10.199 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.302 1.258 -7.835 1.00 0.31 H new ATOM 0 HB3 SER A 70 -3.156 -0.221 -8.227 1.00 0.31 H new ATOM 0 HG SER A 70 -2.026 -0.199 -6.127 1.00 0.32 H new ATOM 1022 N TYR A 71 0.970 0.945 -9.477 1.00 0.20 N ATOM 1023 CA TYR A 71 1.968 1.996 -9.707 1.00 0.20 C ATOM 1024 C TYR A 71 1.662 2.749 -11.007 1.00 0.22 C ATOM 1025 O TYR A 71 2.033 3.905 -11.163 1.00 0.29 O ATOM 1026 CB TYR A 71 3.400 1.417 -9.765 1.00 0.21 C ATOM 1027 CG TYR A 71 3.692 0.562 -10.983 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.276 -0.760 -11.049 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.396 1.080 -12.063 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.549 -1.542 -12.154 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.672 0.305 -13.172 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.246 -1.006 -13.212 1.00 0.43 C ATOM 1033 OH TYR A 71 4.525 -1.784 -14.315 1.00 0.54 O ATOM 0 H TYR A 71 1.361 0.012 -9.349 1.00 0.20 H new ATOM 0 HA TYR A 71 1.914 2.688 -8.866 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.112 2.242 -9.739 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.572 0.820 -8.870 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.729 -1.185 -10.221 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.733 2.106 -12.035 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.217 -2.569 -12.187 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.219 0.724 -14.004 1.00 0.44 H new ATOM 0 HH TYR A 71 5.023 -1.254 -14.972 1.00 0.54 H new ATOM 1043 N ALA A 72 0.953 2.099 -11.925 1.00 0.24 N ATOM 1044 CA ALA A 72 0.628 2.713 -13.204 1.00 0.30 C ATOM 1045 C ALA A 72 -0.665 3.516 -13.115 1.00 0.36 C ATOM 1046 O ALA A 72 -1.024 4.236 -14.042 1.00 0.49 O ATOM 1047 CB ALA A 72 0.518 1.649 -14.284 1.00 0.38 C ATOM 0 H ALA A 72 0.595 1.151 -11.806 1.00 0.24 H new ATOM 0 HA ALA A 72 1.433 3.400 -13.466 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.275 2.121 -15.236 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.468 1.121 -14.373 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.267 0.941 -14.019 1.00 0.38 H new ATOM 1053 N SER A 73 -1.365 3.384 -11.995 1.00 0.32 N ATOM 1054 CA SER A 73 -2.640 4.064 -11.806 1.00 0.44 C ATOM 1055 C SER A 73 -2.644 4.887 -10.519 1.00 0.49 C ATOM 1056 O SER A 73 -3.700 5.301 -10.039 1.00 0.71 O ATOM 1057 CB SER A 73 -3.769 3.037 -11.777 1.00 0.47 C ATOM 1058 OG SER A 73 -3.699 2.192 -12.911 1.00 0.62 O ATOM 0 H SER A 73 -1.071 2.812 -11.203 1.00 0.32 H new ATOM 0 HA SER A 73 -2.791 4.749 -12.640 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.703 2.441 -10.867 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.732 3.547 -11.755 1.00 0.47 H new ATOM 0 HG SER A 73 -4.428 1.538 -12.877 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.463 5.113 -9.960 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.354 5.912 -8.754 1.00 0.54 C ATOM 1066 C GLY A 74 -1.813 5.176 -7.507 1.00 0.45 C ATOM 1067 O GLY A 74 -2.375 5.780 -6.595 1.00 0.49 O ATOM 0 H GLY A 74 -0.577 4.757 -10.320 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.317 6.223 -8.624 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -1.947 6.819 -8.872 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.592 3.869 -7.476 1.00 0.35 N ATOM 1072 CA GLY A 75 -1.922 3.086 -6.297 1.00 0.32 C ATOM 1073 C GLY A 75 -3.402 2.788 -6.184 1.00 0.20 C ATOM 1074 O GLY A 75 -3.845 2.177 -5.215 1.00 0.21 O ATOM 0 H GLY A 75 -1.190 3.334 -8.246 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.368 2.147 -6.324 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.596 3.624 -5.407 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.160 3.175 -7.195 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.613 3.097 -7.132 1.00 0.39 C ATOM 1080 C ASP A 76 -6.097 1.778 -7.697 1.00 0.32 C ATOM 1081 O ASP A 76 -5.555 1.287 -8.689 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.241 4.230 -7.928 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.588 4.666 -7.384 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.607 4.017 -7.712 1.00 0.80 O ATOM 1085 OD2 ASP A 76 -7.629 5.636 -6.600 1.00 1.65 O ATOM 0 H ASP A 76 -3.795 3.547 -8.072 1.00 0.35 H new ATOM 0 HA ASP A 76 -5.908 3.177 -6.086 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.563 5.084 -7.930 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.360 3.915 -8.965 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.110 1.207 -7.072 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.706 -0.025 -7.554 1.00 0.30 C ATOM 1092 C LEU A 77 -9.173 0.180 -7.866 1.00 0.32 C ATOM 1093 O LEU A 77 -9.758 1.213 -7.541 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.548 -1.146 -6.528 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.598 -2.281 -6.923 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.271 -1.737 -7.428 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.379 -3.212 -5.739 1.00 0.94 C ATOM 0 H LEU A 77 -7.539 1.579 -6.225 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.185 -0.312 -8.467 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.195 -0.711 -5.593 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.531 -1.573 -6.329 1.00 0.32 H new ATOM 0 HG LEU A 77 -7.056 -2.844 -7.736 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.618 -2.566 -7.701 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.444 -1.109 -8.302 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.798 -1.145 -6.644 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.702 -4.016 -6.029 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.944 -2.652 -4.911 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.334 -3.636 -5.428 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.750 -0.814 -8.502 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.159 -0.782 -8.828 1.00 0.39 C ATOM 1111 C GLY A 78 -12.014 -1.361 -7.718 1.00 0.34 C ATOM 1112 O GLY A 78 -11.581 -1.437 -6.566 1.00 0.44 O ATOM 0 H GLY A 78 -9.264 -1.658 -8.805 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.463 0.247 -9.020 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.331 -1.342 -9.747 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.223 -1.777 -8.062 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.151 -2.322 -7.084 1.00 0.46 C ATOM 1118 C PHE A 79 -13.908 -3.805 -6.844 1.00 0.45 C ATOM 1119 O PHE A 79 -13.430 -4.523 -7.726 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.592 -2.099 -7.535 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.989 -0.655 -7.578 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.527 -0.039 -6.462 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.826 0.085 -8.738 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.896 1.289 -6.500 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.194 1.414 -8.782 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.716 2.020 -7.658 1.00 3.85 C ATOM 0 H PHE A 79 -13.585 -1.747 -9.015 1.00 0.47 H new ATOM 0 HA PHE A 79 -13.981 -1.796 -6.144 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.726 -2.534 -8.526 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.262 -2.632 -6.860 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.659 -0.604 -5.551 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.407 -0.383 -9.616 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -17.325 1.757 -5.626 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.074 1.979 -9.695 1.00 2.78 H new ATOM 0 HZ PHE A 79 -16.984 3.066 -7.684 1.00 3.85 H new ATOM 1136 N PHE A 80 -14.244 -4.245 -5.643 1.00 0.40 N ATOM 1137 CA PHE A 80 -14.112 -5.635 -5.237 1.00 0.45 C ATOM 1138 C PHE A 80 -15.052 -5.888 -4.080 1.00 0.46 C ATOM 1139 O PHE A 80 -15.473 -4.955 -3.412 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.678 -5.956 -4.794 1.00 0.45 C ATOM 1141 CG PHE A 80 -12.248 -5.256 -3.524 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -12.188 -3.871 -3.452 1.00 1.01 C ATOM 1143 CD2 PHE A 80 -11.913 -5.989 -2.395 1.00 0.89 C ATOM 1144 CE1 PHE A 80 -11.802 -3.234 -2.286 1.00 1.28 C ATOM 1145 CE2 PHE A 80 -11.524 -5.356 -1.227 1.00 1.19 C ATOM 1146 CZ PHE A 80 -11.469 -3.977 -1.175 1.00 1.31 C ATOM 0 H PHE A 80 -14.621 -3.640 -4.913 1.00 0.40 H new ATOM 0 HA PHE A 80 -14.356 -6.271 -6.088 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.587 -7.033 -4.650 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.992 -5.682 -5.596 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.447 -3.282 -4.319 1.00 1.01 H new ATOM 0 HD2 PHE A 80 -11.956 -7.068 -2.428 1.00 0.89 H new ATOM 0 HE1 PHE A 80 -11.762 -2.155 -2.247 1.00 1.28 H new ATOM 0 HE2 PHE A 80 -11.264 -5.940 -0.357 1.00 1.19 H new ATOM 0 HZ PHE A 80 -11.165 -3.482 -0.264 1.00 1.31 H new ATOM 1156 N SER A 81 -15.370 -7.132 -3.836 1.00 0.50 N ATOM 1157 CA SER A 81 -16.215 -7.466 -2.706 1.00 0.55 C ATOM 1158 C SER A 81 -15.350 -7.605 -1.458 1.00 0.52 C ATOM 1159 O SER A 81 -14.243 -8.141 -1.520 1.00 0.54 O ATOM 1160 CB SER A 81 -17.009 -8.743 -2.975 1.00 0.69 C ATOM 1161 OG SER A 81 -17.756 -8.631 -4.176 1.00 1.17 O ATOM 0 H SER A 81 -15.063 -7.928 -4.395 1.00 0.50 H new ATOM 0 HA SER A 81 -16.939 -6.666 -2.549 1.00 0.55 H new ATOM 0 HB2 SER A 81 -16.328 -9.592 -3.043 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.682 -8.940 -2.140 1.00 0.69 H new ATOM 0 HG SER A 81 -17.604 -9.424 -4.731 1.00 1.17 H new ATOM 1167 N SER A 82 -15.845 -7.085 -0.343 1.00 0.59 N ATOM 1168 CA SER A 82 -15.077 -7.043 0.891 1.00 0.63 C ATOM 1169 C SER A 82 -14.686 -8.449 1.334 1.00 0.59 C ATOM 1170 O SER A 82 -15.534 -9.251 1.736 1.00 0.63 O ATOM 1171 CB SER A 82 -15.890 -6.338 1.974 1.00 0.77 C ATOM 1172 OG SER A 82 -16.377 -5.093 1.494 1.00 1.19 O ATOM 0 H SER A 82 -16.780 -6.685 -0.269 1.00 0.59 H new ATOM 0 HA SER A 82 -14.157 -6.484 0.718 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.725 -6.969 2.280 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.271 -6.178 2.857 1.00 0.77 H new ATOM 0 HG SER A 82 -16.898 -4.652 2.197 1.00 1.19 H new ATOM 1178 N GLY A 83 -13.390 -8.726 1.275 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.894 -10.055 1.557 1.00 0.62 C ATOM 1180 C GLY A 83 -12.274 -10.707 0.334 1.00 0.64 C ATOM 1181 O GLY A 83 -12.022 -11.909 0.327 1.00 0.79 O ATOM 0 H GLY A 83 -12.669 -8.046 1.034 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -12.152 -10.003 2.354 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.712 -10.676 1.923 1.00 0.62 H new ATOM 1185 N GLU A 84 -12.031 -9.914 -0.704 1.00 0.58 N ATOM 1186 CA GLU A 84 -11.396 -10.420 -1.917 1.00 0.62 C ATOM 1187 C GLU A 84 -10.045 -9.727 -2.142 1.00 0.58 C ATOM 1188 O GLU A 84 -9.822 -9.088 -3.171 1.00 0.87 O ATOM 1189 CB GLU A 84 -12.319 -10.202 -3.124 1.00 0.73 C ATOM 1190 CG GLU A 84 -11.944 -11.029 -4.347 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.844 -10.753 -5.535 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -14.042 -11.105 -5.476 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -12.360 -10.190 -6.538 1.00 1.55 O ATOM 0 H GLU A 84 -12.263 -8.921 -0.731 1.00 0.58 H new ATOM 0 HA GLU A 84 -11.218 -11.489 -1.801 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -13.342 -10.443 -2.835 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -12.305 -9.146 -3.394 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -10.911 -10.817 -4.622 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.996 -12.088 -4.095 1.00 1.17 H new ATOM 1200 N MET A 85 -9.157 -9.841 -1.156 1.00 0.47 N ATOM 1201 CA MET A 85 -7.812 -9.268 -1.248 1.00 0.44 C ATOM 1202 C MET A 85 -6.805 -10.146 -0.510 1.00 0.47 C ATOM 1203 O MET A 85 -6.360 -11.169 -1.023 1.00 0.73 O ATOM 1204 CB MET A 85 -7.764 -7.850 -0.665 1.00 0.39 C ATOM 1205 CG MET A 85 -8.418 -6.788 -1.528 1.00 0.37 C ATOM 1206 SD MET A 85 -7.582 -6.571 -3.110 1.00 0.39 S ATOM 1207 CE MET A 85 -8.633 -5.342 -3.879 1.00 0.39 C ATOM 0 H MET A 85 -9.345 -10.327 -0.279 1.00 0.47 H new ATOM 0 HA MET A 85 -7.553 -9.220 -2.306 1.00 0.44 H new ATOM 0 HB2 MET A 85 -8.250 -7.856 0.311 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.722 -7.574 -0.500 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.459 -7.059 -1.705 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.423 -5.840 -0.990 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.506 -5.380 -4.961 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.674 -5.545 -3.628 1.00 0.39 H new ATOM 0 HE3 MET A 85 -8.360 -4.351 -3.516 1.00 0.39 H new ATOM 1217 N MET A 86 -6.463 -9.732 0.706 1.00 0.33 N ATOM 1218 CA MET A 86 -5.594 -10.502 1.586 1.00 0.35 C ATOM 1219 C MET A 86 -6.094 -10.337 3.006 1.00 0.40 C ATOM 1220 O MET A 86 -6.741 -9.336 3.305 1.00 0.76 O ATOM 1221 CB MET A 86 -4.137 -10.027 1.515 1.00 0.33 C ATOM 1222 CG MET A 86 -3.523 -10.072 0.125 1.00 0.43 C ATOM 1223 SD MET A 86 -1.810 -9.509 0.116 1.00 1.16 S ATOM 1224 CE MET A 86 -1.428 -9.631 -1.631 1.00 1.39 C ATOM 0 H MET A 86 -6.782 -8.851 1.109 1.00 0.33 H new ATOM 0 HA MET A 86 -5.619 -11.545 1.270 1.00 0.35 H new ATOM 0 HB2 MET A 86 -4.084 -9.004 1.888 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.535 -10.642 2.184 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.570 -11.091 -0.258 1.00 0.43 H new ATOM 0 HG3 MET A 86 -4.111 -9.450 -0.550 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.398 -9.316 -1.801 1.00 1.39 H new ATOM 0 HE2 MET A 86 -1.551 -10.663 -1.959 1.00 1.39 H new ATOM 0 HE3 MET A 86 -2.102 -8.988 -2.197 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.795 -11.285 3.876 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.290 -11.237 5.250 1.00 0.32 C ATOM 1236 C LYS A 87 -5.922 -9.922 5.962 1.00 0.27 C ATOM 1237 O LYS A 87 -6.819 -9.198 6.393 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.803 -12.450 6.046 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.157 -12.393 7.523 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.720 -13.652 8.248 1.00 1.46 C ATOM 1241 CE LYS A 87 -5.986 -13.555 9.741 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.428 -13.359 10.040 1.00 2.37 N ATOM 0 H LYS A 87 -5.215 -12.096 3.662 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.378 -11.272 5.199 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.232 -13.354 5.613 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.721 -12.530 5.944 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.681 -11.525 7.979 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.233 -12.262 7.636 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -6.250 -14.512 7.838 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -4.657 -13.821 8.077 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -5.635 -14.463 10.231 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -5.414 -12.726 10.158 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -7.591 -13.484 11.059 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -7.714 -12.399 9.759 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -7.990 -14.056 9.511 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.621 -9.561 6.073 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.215 -8.364 6.819 1.00 0.25 C ATOM 1258 C PRO A 88 -4.511 -7.082 6.044 1.00 0.22 C ATOM 1259 O PRO A 88 -4.768 -6.027 6.626 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.710 -8.556 6.990 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.299 -9.344 5.795 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.456 -10.253 5.475 1.00 0.27 C ATOM 0 HA PRO A 88 -4.752 -8.258 7.761 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.190 -7.599 7.033 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.479 -9.086 7.914 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -2.075 -8.688 4.954 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.396 -9.920 6.000 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.577 -10.384 4.400 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.316 -11.245 5.904 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.486 -7.204 4.724 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.746 -6.089 3.825 1.00 0.17 C ATOM 1272 C PHE A 89 -6.207 -5.669 3.927 1.00 0.18 C ATOM 1273 O PHE A 89 -6.512 -4.526 4.249 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.413 -6.530 2.393 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.628 -5.499 1.317 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.888 -5.292 0.775 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.565 -4.766 0.821 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -6.083 -4.371 -0.234 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.753 -3.848 -0.194 1.00 0.20 C ATOM 1280 CZ PHE A 89 -5.015 -3.649 -0.722 1.00 0.19 C ATOM 0 H PHE A 89 -4.284 -8.082 4.245 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.127 -5.234 4.098 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.370 -6.844 2.364 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -5.016 -7.406 2.155 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.728 -5.859 1.148 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.577 -4.913 1.232 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -7.071 -4.216 -0.641 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.914 -3.285 -0.575 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.164 -2.930 -1.514 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.098 -6.624 3.687 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.535 -6.382 3.702 1.00 0.24 C ATOM 1292 C GLU A 90 -8.981 -6.006 5.107 1.00 0.25 C ATOM 1293 O GLU A 90 -9.870 -5.176 5.289 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.264 -7.636 3.208 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.691 -7.401 2.733 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.704 -7.400 3.858 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.827 -8.422 4.555 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.369 -6.363 4.055 1.00 1.78 O ATOM 0 H GLU A 90 -6.844 -7.589 3.476 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.779 -5.553 3.038 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.691 -8.073 2.390 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.281 -8.370 4.013 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.740 -6.447 2.209 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.959 -8.174 2.013 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.328 -6.605 6.097 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.573 -6.272 7.498 1.00 0.29 C ATOM 1307 C ASP A 91 -8.386 -4.778 7.739 1.00 0.25 C ATOM 1308 O ASP A 91 -9.089 -4.174 8.544 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.630 -7.058 8.413 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.823 -6.717 9.875 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.870 -7.092 10.447 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.927 -6.078 10.461 1.00 0.54 O ATOM 0 H ASP A 91 -7.622 -7.327 5.955 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.603 -6.543 7.729 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.794 -8.126 8.268 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.598 -6.853 8.129 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.440 -4.186 7.026 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.180 -2.763 7.151 1.00 0.19 C ATOM 1319 C ALA A 92 -8.133 -1.956 6.277 1.00 0.18 C ATOM 1320 O ALA A 92 -8.444 -0.808 6.584 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.740 -2.458 6.784 1.00 0.22 C ATOM 0 H ALA A 92 -6.841 -4.669 6.356 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.347 -2.476 8.189 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.558 -1.388 6.882 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.071 -3.002 7.451 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.554 -2.765 5.755 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.617 -2.566 5.201 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.505 -1.876 4.273 1.00 0.19 C ATOM 1329 C VAL A 93 -10.891 -1.723 4.887 1.00 0.19 C ATOM 1330 O VAL A 93 -11.549 -0.698 4.724 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.639 -2.615 2.925 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.380 -1.753 1.923 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.279 -3.016 2.378 1.00 0.21 C ATOM 0 H VAL A 93 -8.411 -3.533 4.950 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.061 -0.899 4.083 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.212 -3.526 3.097 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.467 -2.288 0.977 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.376 -1.526 2.304 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.831 -0.824 1.766 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.407 -3.534 1.428 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.671 -2.124 2.226 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.782 -3.677 3.088 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.326 -2.747 5.605 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.613 -2.706 6.276 1.00 0.27 C ATOM 1345 C ARG A 94 -12.527 -1.844 7.531 1.00 0.25 C ATOM 1346 O ARG A 94 -13.540 -1.488 8.128 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.088 -4.133 6.614 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.171 -4.913 7.553 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.370 -4.519 9.010 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.436 -5.199 9.905 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.473 -5.107 11.233 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.386 -4.348 11.824 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.589 -5.767 11.966 1.00 1.70 N ATOM 0 H ARG A 94 -10.806 -3.615 5.737 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.346 -2.257 5.606 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.078 -4.073 7.065 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.194 -4.694 5.685 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.359 -5.980 7.438 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.133 -4.740 7.270 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.246 -3.441 9.112 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.392 -4.753 9.310 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.710 -5.781 9.486 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -13.063 -3.833 11.261 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.412 -4.280 12.841 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.881 -6.345 11.513 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.616 -5.697 12.983 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.302 -1.508 7.920 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.063 -0.750 9.136 1.00 0.25 C ATOM 1369 C ALA A 95 -11.142 0.748 8.877 1.00 0.26 C ATOM 1370 O ALA A 95 -11.053 1.556 9.802 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.712 -1.119 9.728 1.00 0.26 C ATOM 0 H ALA A 95 -10.456 -1.752 7.405 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.843 -1.005 9.853 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.545 -0.544 10.639 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.696 -2.183 9.962 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.925 -0.894 9.008 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.314 1.116 7.618 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.422 2.515 7.246 1.00 0.19 C ATOM 1379 C LEU A 96 -12.598 2.745 6.309 1.00 0.21 C ATOM 1380 O LEU A 96 -13.020 1.844 5.582 1.00 0.28 O ATOM 1381 CB LEU A 96 -10.111 3.017 6.617 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.374 2.054 5.689 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -10.039 1.989 4.334 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.938 2.492 5.530 1.00 0.28 C ATOM 0 H LEU A 96 -11.382 0.464 6.837 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.603 3.090 8.154 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.330 3.926 6.057 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.433 3.295 7.424 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.406 1.060 6.136 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.493 1.296 3.694 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -11.067 1.644 4.449 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -10.038 2.980 3.880 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.418 1.801 4.867 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.909 3.495 5.104 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.449 2.497 6.504 1.00 0.28 H new ATOM 1396 N LYS A 97 -13.145 3.947 6.358 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.229 4.321 5.475 1.00 0.31 C ATOM 1398 C LYS A 97 -13.669 5.199 4.357 1.00 0.28 C ATOM 1399 O LYS A 97 -12.459 5.424 4.300 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.336 5.040 6.268 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.666 5.178 5.531 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.211 3.828 5.088 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.456 3.972 4.224 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.581 4.617 4.953 1.00 1.61 N ATOM 0 H LYS A 97 -12.853 4.681 7.003 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.678 3.434 5.029 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.507 4.498 7.198 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.982 6.035 6.539 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -17.392 5.667 6.180 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.534 5.820 4.660 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.443 3.292 4.531 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.446 3.226 5.966 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.215 4.561 3.339 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.769 2.988 3.876 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.430 4.616 4.352 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.775 4.090 5.828 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.325 5.597 5.189 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.528 5.666 3.463 1.00 0.32 N ATOM 1419 CA ILE A 98 -14.108 6.524 2.365 1.00 0.32 C ATOM 1420 C ILE A 98 -13.344 7.741 2.882 1.00 0.32 C ATOM 1421 O ILE A 98 -13.880 8.546 3.648 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.319 7.000 1.542 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -16.124 5.796 1.044 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.863 7.866 0.375 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.408 6.171 0.335 1.00 0.90 C ATOM 0 H ILE A 98 -15.528 5.463 3.477 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.451 5.933 1.727 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.962 7.605 2.181 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.503 5.211 0.366 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.362 5.154 1.892 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.732 8.194 -0.196 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.329 8.737 0.755 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.202 7.288 -0.270 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.923 5.266 0.012 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -18.050 6.730 1.016 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -17.177 6.787 -0.534 1.00 0.90 H new ATOM 1437 N GLY A 99 -12.089 7.854 2.475 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.281 8.986 2.875 1.00 0.32 C ATOM 1439 C GLY A 99 -10.416 8.702 4.090 1.00 0.32 C ATOM 1440 O GLY A 99 -9.834 9.621 4.663 1.00 0.46 O ATOM 0 H GLY A 99 -11.615 7.180 1.874 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.642 9.281 2.043 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.933 9.832 3.091 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.335 7.444 4.502 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.481 7.070 5.625 1.00 0.19 C ATOM 1446 C ASP A 100 -8.309 6.228 5.139 1.00 0.15 C ATOM 1447 O ASP A 100 -8.444 5.466 4.180 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.274 6.298 6.678 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.211 7.167 7.488 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.718 8.028 8.245 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.444 7.007 7.364 1.00 0.37 O ATOM 0 H ASP A 100 -10.846 6.669 4.080 1.00 0.21 H new ATOM 0 HA ASP A 100 -9.100 7.984 6.080 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.852 5.516 6.185 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.577 5.801 7.353 1.00 0.22 H new ATOM 1456 N ILE A 101 -7.162 6.373 5.797 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.949 5.651 5.415 1.00 0.16 C ATOM 1458 C ILE A 101 -5.463 4.772 6.572 1.00 0.16 C ATOM 1459 O ILE A 101 -5.656 5.107 7.741 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.812 6.626 5.027 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.342 7.744 4.124 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.680 5.879 4.331 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.306 8.794 3.783 1.00 0.21 C ATOM 0 H ILE A 101 -7.046 6.988 6.603 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.199 5.032 4.554 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.423 7.075 5.941 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.719 7.305 3.200 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -6.187 8.226 4.616 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.890 6.581 4.066 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.280 5.119 5.001 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -4.060 5.402 3.427 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.754 9.552 3.141 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.946 9.261 4.700 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.471 8.325 3.262 1.00 0.21 H new ATOM 1475 N SER A 102 -4.839 3.652 6.235 1.00 0.16 N ATOM 1476 CA SER A 102 -4.303 2.727 7.228 1.00 0.19 C ATOM 1477 C SER A 102 -2.818 2.968 7.460 1.00 0.18 C ATOM 1478 O SER A 102 -2.106 3.419 6.562 1.00 0.22 O ATOM 1479 CB SER A 102 -4.498 1.281 6.769 1.00 0.25 C ATOM 1480 OG SER A 102 -5.854 0.896 6.844 1.00 0.92 O ATOM 0 H SER A 102 -4.690 3.358 5.270 1.00 0.16 H new ATOM 0 HA SER A 102 -4.843 2.899 8.159 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.143 1.172 5.744 1.00 0.25 H new ATOM 0 HB3 SER A 102 -3.895 0.617 7.388 1.00 0.25 H new ATOM 0 HG SER A 102 -6.077 0.663 7.769 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.338 2.664 8.677 1.00 0.21 N ATOM 1487 CA PRO A 103 -0.912 2.691 8.989 1.00 0.23 C ATOM 1488 C PRO A 103 -0.184 1.498 8.375 1.00 0.20 C ATOM 1489 O PRO A 103 -0.806 0.643 7.745 1.00 0.27 O ATOM 1490 CB PRO A 103 -0.880 2.618 10.515 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.128 1.892 10.882 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.153 2.274 9.846 1.00 0.28 C ATOM 0 HA PRO A 103 -0.413 3.574 8.590 1.00 0.23 H new ATOM 0 HB2 PRO A 103 0.005 2.089 10.868 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -0.855 3.613 10.959 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -1.964 0.814 10.889 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.461 2.171 11.882 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -3.816 1.441 9.612 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.782 3.096 10.188 1.00 0.28 H new ATOM 1500 N ILE A 104 1.132 1.465 8.549 1.00 0.17 N ATOM 1501 CA ILE A 104 1.976 0.398 7.997 1.00 0.15 C ATOM 1502 C ILE A 104 1.439 -1.001 8.305 1.00 0.14 C ATOM 1503 O ILE A 104 1.462 -1.449 9.452 1.00 0.20 O ATOM 1504 CB ILE A 104 3.416 0.470 8.541 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.945 1.904 8.480 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.320 -0.474 7.757 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.910 2.507 7.097 1.00 0.17 C ATOM 0 H ILE A 104 1.648 2.171 9.074 1.00 0.17 H new ATOM 0 HA ILE A 104 1.966 0.561 6.919 1.00 0.15 H new ATOM 0 HB ILE A 104 3.411 0.158 9.585 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.357 2.527 9.153 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.971 1.919 8.847 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.335 -0.415 8.150 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.952 -1.495 7.855 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.321 -0.188 6.705 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.300 3.524 7.134 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.522 1.907 6.423 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.882 2.526 6.734 1.00 0.17 H new ATOM 1519 N VAL A 105 0.969 -1.680 7.271 1.00 0.13 N ATOM 1520 CA VAL A 105 0.560 -3.071 7.376 1.00 0.15 C ATOM 1521 C VAL A 105 1.550 -3.961 6.631 1.00 0.15 C ATOM 1522 O VAL A 105 1.700 -3.849 5.414 1.00 0.17 O ATOM 1523 CB VAL A 105 -0.862 -3.277 6.797 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.204 -4.757 6.658 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.891 -2.579 7.670 1.00 1.04 C ATOM 0 H VAL A 105 0.861 -1.283 6.338 1.00 0.13 H new ATOM 0 HA VAL A 105 0.546 -3.343 8.432 1.00 0.15 H new ATOM 0 HB VAL A 105 -0.881 -2.837 5.800 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.209 -4.861 6.249 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -0.488 -5.235 5.989 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -1.160 -5.234 7.637 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.886 -2.731 7.252 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -1.853 -2.992 8.678 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.673 -1.512 7.707 1.00 1.04 H new ATOM 1535 N GLN A 106 2.244 -4.828 7.354 1.00 0.18 N ATOM 1536 CA GLN A 106 3.166 -5.751 6.718 1.00 0.20 C ATOM 1537 C GLN A 106 2.415 -6.985 6.242 1.00 0.23 C ATOM 1538 O GLN A 106 1.484 -7.452 6.899 1.00 0.29 O ATOM 1539 CB GLN A 106 4.299 -6.161 7.664 1.00 0.24 C ATOM 1540 CG GLN A 106 5.204 -5.012 8.085 1.00 0.25 C ATOM 1541 CD GLN A 106 6.540 -5.467 8.656 1.00 0.30 C ATOM 1542 OE1 GLN A 106 7.070 -4.845 9.573 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.125 -6.519 8.092 1.00 0.28 N ATOM 0 H GLN A 106 2.186 -4.910 8.369 1.00 0.18 H new ATOM 0 HA GLN A 106 3.614 -5.242 5.864 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.867 -6.614 8.556 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.904 -6.927 7.178 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.386 -4.370 7.224 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.687 -4.407 8.830 1.00 0.25 H new ATOM 0 HE21 GLN A 106 6.659 -7.015 7.332 1.00 0.28 H new ATOM 0 HE22 GLN A 106 8.040 -6.830 8.419 1.00 0.28 H new ATOM 1552 N THR A 107 2.805 -7.483 5.085 1.00 0.22 N ATOM 1553 CA THR A 107 2.185 -8.650 4.495 1.00 0.27 C ATOM 1554 C THR A 107 3.226 -9.728 4.226 1.00 0.34 C ATOM 1555 O THR A 107 4.384 -9.581 4.619 1.00 0.37 O ATOM 1556 CB THR A 107 1.473 -8.285 3.182 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.338 -7.472 2.378 1.00 0.22 O ATOM 1558 CG2 THR A 107 0.172 -7.544 3.455 1.00 0.27 C ATOM 0 H THR A 107 3.562 -7.088 4.528 1.00 0.22 H new ATOM 0 HA THR A 107 1.448 -9.031 5.202 1.00 0.27 H new ATOM 0 HB THR A 107 1.235 -9.206 2.649 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.817 -6.756 1.958 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.312 -7.298 2.510 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.490 -8.176 4.047 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.384 -6.627 4.004 1.00 0.27 H new ATOM 1566 N ASP A 108 2.825 -10.791 3.547 1.00 0.40 N ATOM 1567 CA ASP A 108 3.728 -11.899 3.270 1.00 0.49 C ATOM 1568 C ASP A 108 4.849 -11.476 2.325 1.00 0.45 C ATOM 1569 O ASP A 108 5.988 -11.925 2.462 1.00 0.53 O ATOM 1570 CB ASP A 108 2.959 -13.083 2.670 1.00 0.60 C ATOM 1571 CG ASP A 108 2.459 -12.812 1.264 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.504 -12.019 1.112 1.00 1.67 O ATOM 1573 OD2 ASP A 108 3.017 -13.390 0.304 1.00 2.16 O ATOM 0 H ASP A 108 1.882 -10.911 3.178 1.00 0.40 H new ATOM 0 HA ASP A 108 4.174 -12.206 4.216 1.00 0.49 H new ATOM 0 HB2 ASP A 108 3.606 -13.960 2.657 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.111 -13.321 3.312 1.00 0.60 H new ATOM 1578 N SER A 109 4.540 -10.600 1.378 1.00 0.39 N ATOM 1579 CA SER A 109 5.516 -10.241 0.367 1.00 0.43 C ATOM 1580 C SER A 109 6.089 -8.844 0.586 1.00 0.53 C ATOM 1581 O SER A 109 7.035 -8.458 -0.090 1.00 1.09 O ATOM 1582 CB SER A 109 4.917 -10.346 -1.035 1.00 0.47 C ATOM 1583 OG SER A 109 5.943 -10.462 -2.007 1.00 0.60 O ATOM 0 H SER A 109 3.637 -10.134 1.291 1.00 0.39 H new ATOM 0 HA SER A 109 6.336 -10.954 0.458 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.256 -11.211 -1.090 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.308 -9.466 -1.244 1.00 0.47 H new ATOM 0 HG SER A 109 6.805 -10.590 -1.559 1.00 0.60 H new ATOM 1589 N GLY A 110 5.522 -8.070 1.498 1.00 0.22 N ATOM 1590 CA GLY A 110 6.124 -6.803 1.816 1.00 0.19 C ATOM 1591 C GLY A 110 5.271 -5.959 2.726 1.00 0.16 C ATOM 1592 O GLY A 110 4.825 -6.406 3.777 1.00 0.24 O ATOM 0 H GLY A 110 4.671 -8.295 2.013 1.00 0.22 H new ATOM 0 HA2 GLY A 110 7.091 -6.975 2.289 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.314 -6.255 0.893 1.00 0.19 H new ATOM 1596 N LEU A 111 5.019 -4.751 2.287 1.00 0.12 N ATOM 1597 CA LEU A 111 4.368 -3.736 3.104 1.00 0.11 C ATOM 1598 C LEU A 111 3.222 -3.087 2.350 1.00 0.11 C ATOM 1599 O LEU A 111 3.268 -2.978 1.127 1.00 0.13 O ATOM 1600 CB LEU A 111 5.377 -2.662 3.492 1.00 0.12 C ATOM 1601 CG LEU A 111 5.988 -2.785 4.886 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.853 -4.030 5.005 1.00 0.15 C ATOM 1603 CD2 LEU A 111 6.794 -1.543 5.198 1.00 0.19 C ATOM 0 H LEU A 111 5.258 -4.434 1.347 1.00 0.12 H new ATOM 0 HA LEU A 111 3.974 -4.221 3.997 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.186 -2.671 2.761 1.00 0.12 H new ATOM 0 HB3 LEU A 111 4.890 -1.690 3.416 1.00 0.12 H new ATOM 0 HG LEU A 111 5.179 -2.880 5.611 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.272 -4.087 6.009 1.00 0.15 H new ATOM 0 HD12 LEU A 111 6.245 -4.915 4.815 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.662 -3.982 4.276 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.229 -1.632 6.193 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.590 -1.432 4.462 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.144 -0.669 5.164 1.00 0.19 H new ATOM 1615 N HIS A 112 2.199 -2.654 3.076 1.00 0.11 N ATOM 1616 CA HIS A 112 1.042 -2.018 2.457 1.00 0.12 C ATOM 1617 C HIS A 112 0.432 -0.944 3.350 1.00 0.14 C ATOM 1618 O HIS A 112 0.291 -1.131 4.555 1.00 0.22 O ATOM 1619 CB HIS A 112 -0.053 -3.046 2.151 1.00 0.14 C ATOM 1620 CG HIS A 112 0.266 -3.995 1.042 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.896 -5.191 1.056 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.114 -3.777 -0.264 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.877 -5.675 -0.227 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.263 -4.805 -1.005 1.00 0.21 N flip ATOM 0 H HIS A 112 2.146 -2.731 4.092 1.00 0.11 H new ATOM 0 HA HIS A 112 1.407 -1.562 1.537 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.254 -3.621 3.055 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.971 -2.514 1.901 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.637 -2.904 -0.626 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.297 -6.617 -0.548 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.106 -4.908 -2.008 1.00 0.21 H new ATOM 1633 N ILE A 113 0.101 0.188 2.748 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.845 1.121 3.335 1.00 0.13 C ATOM 1635 C ILE A 113 -2.020 1.259 2.382 1.00 0.12 C ATOM 1636 O ILE A 113 -1.832 1.259 1.162 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.243 2.515 3.618 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.595 2.995 2.435 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.595 2.480 4.887 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.556 4.488 2.223 1.00 0.17 C ATOM 0 H ILE A 113 0.477 0.483 1.847 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.150 0.721 4.302 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.062 3.220 3.761 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.629 2.686 2.586 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.244 2.500 1.529 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.013 3.469 5.074 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.032 2.186 5.729 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.405 1.760 4.768 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.175 4.750 1.365 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.471 4.803 2.039 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.936 4.992 3.112 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.226 1.323 2.919 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.416 1.350 2.083 1.00 0.11 C ATOM 1654 C ILE A 114 -5.345 2.479 2.512 1.00 0.11 C ATOM 1655 O ILE A 114 -5.387 2.839 3.687 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.202 0.008 2.130 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.267 -1.208 2.086 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.182 -0.065 0.969 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.805 -1.686 3.450 1.00 0.18 C ATOM 0 H ILE A 114 -3.408 1.357 3.922 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.074 1.512 1.061 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.743 -0.017 3.076 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.778 -2.027 1.580 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.392 -0.958 1.485 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.727 -1.008 1.011 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.886 0.764 1.035 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.636 -0.003 0.028 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.148 -2.548 3.330 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.264 -0.884 3.952 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.671 -1.970 4.049 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.065 3.043 1.553 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.082 4.046 1.834 1.00 0.14 C ATOM 1673 C LYS A 115 -8.338 3.720 1.036 1.00 0.15 C ATOM 1674 O LYS A 115 -8.250 3.232 -0.092 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.580 5.452 1.477 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.556 5.736 -0.020 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.156 7.171 -0.321 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.445 7.537 -1.766 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.153 8.967 -2.049 1.00 0.61 N ATOM 0 H LYS A 115 -5.962 2.820 0.563 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.308 4.031 2.900 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.216 6.190 1.967 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.575 5.581 1.878 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -5.858 5.055 -0.507 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.541 5.538 -0.442 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.696 7.847 0.342 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.094 7.305 -0.116 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -5.847 6.908 -2.426 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.491 7.330 -1.990 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -6.117 9.117 -3.077 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -6.901 9.562 -1.639 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.237 9.224 -1.629 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.499 3.977 1.613 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.752 3.647 0.951 1.00 0.17 C ATOM 1695 C ARG A 116 -11.264 4.808 0.111 1.00 0.19 C ATOM 1696 O ARG A 116 -11.303 5.953 0.562 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.801 3.225 1.975 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.153 2.897 1.377 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.016 2.133 2.361 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.342 1.865 1.818 1.00 0.79 N ATOM 1701 CZ ARG A 116 -16.238 1.066 2.382 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.959 0.428 3.515 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -17.415 0.908 1.798 1.00 1.87 N ATOM 0 H ARG A 116 -9.602 4.410 2.531 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.561 2.811 0.278 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.434 2.353 2.517 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.923 4.025 2.705 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.658 3.818 1.085 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.019 2.306 0.471 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.530 1.191 2.617 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -14.109 2.705 3.284 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.599 2.324 0.944 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -15.049 0.551 3.959 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.655 -0.184 3.940 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.622 1.397 0.927 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -18.115 0.297 2.219 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.648 4.488 -1.116 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.177 5.463 -2.058 1.00 0.27 C ATOM 1719 C LEU A 117 -13.696 5.365 -2.142 1.00 0.29 C ATOM 1720 O LEU A 117 -14.385 6.369 -2.312 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.577 5.229 -3.450 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.163 5.749 -3.681 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.981 7.115 -3.068 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.141 4.782 -3.137 1.00 0.80 C ATOM 0 H LEU A 117 -11.601 3.539 -1.488 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.906 6.458 -1.704 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.582 4.157 -3.647 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.234 5.691 -4.186 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.011 5.839 -4.757 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.963 7.462 -3.248 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.687 7.813 -3.518 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.161 7.059 -1.994 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.139 5.174 -3.313 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.297 4.652 -2.066 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.247 3.820 -3.638 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.208 4.148 -2.035 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.642 3.909 -2.080 1.00 0.30 C ATOM 1738 C ALA A 118 -15.988 2.691 -1.242 1.00 0.30 C ATOM 1739 O ALA A 118 -16.750 2.828 -0.263 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.117 3.724 -3.514 1.00 0.39 C ATOM 1741 OXT ALA A 118 -15.452 1.610 -1.537 1.00 1.09 O ATOM 0 H ALA A 118 -13.646 3.305 -1.916 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.153 4.779 -1.668 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.192 3.547 -3.521 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.893 4.622 -4.090 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.606 2.871 -3.959 1.00 0.39 H new