USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 65 GLN : amide:sc= -0.66 K(o=-1.1,f=-2.7!) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.415 K(o=-1.1,f=-5.7!) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.013) USER MOD Set 2.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -3! C(o=-6.5!,f=-3!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-5.6!) USER MOD Single : A 23 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.51) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -0.317 (180deg=-1.41!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.5!) USER MOD Single : A 38 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.099) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= -0.036 (180deg=-0.335) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -73:sc= 0.0116 USER MOD Single : A 53 ASN : amide:sc= 0.0115 K(o=0.012,f=-5!) USER MOD Single : A 62 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.727 -6.738 3.581 1.00 1.18 N ATOM 59 CA MET A 9 -13.389 -6.156 3.571 1.00 0.82 C ATOM 60 C MET A 9 -12.613 -6.619 2.344 1.00 0.72 C ATOM 61 O MET A 9 -12.302 -7.802 2.205 1.00 0.97 O ATOM 62 CB MET A 9 -12.638 -6.553 4.840 1.00 1.08 C ATOM 63 CG MET A 9 -12.707 -5.456 5.901 1.00 1.61 C ATOM 64 SD MET A 9 -12.403 -6.084 7.560 1.00 2.27 S ATOM 65 CE MET A 9 -12.570 -4.578 8.533 1.00 2.82 C ATOM 0 HA MET A 9 -13.484 -5.071 3.534 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.061 -7.474 5.240 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.596 -6.760 4.597 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.974 -4.683 5.668 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.689 -4.984 5.869 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.408 -4.806 9.587 1.00 2.82 H new ATOM 0 HE2 MET A 9 -11.832 -3.847 8.202 1.00 2.82 H new ATOM 0 HE3 MET A 9 -13.571 -4.168 8.400 1.00 2.82 H new ATOM 75 N ASP A 10 -12.298 -5.681 1.456 1.00 0.49 N ATOM 76 CA ASP A 10 -11.555 -5.999 0.242 1.00 0.42 C ATOM 77 C ASP A 10 -10.059 -5.881 0.493 1.00 0.38 C ATOM 78 O ASP A 10 -9.620 -5.065 1.303 1.00 0.54 O ATOM 79 CB ASP A 10 -11.964 -5.061 -0.890 1.00 0.44 C ATOM 80 CG ASP A 10 -13.475 -5.092 -1.085 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.172 -5.691 -0.240 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.958 -4.517 -2.083 1.00 1.53 O ATOM 0 H ASP A 10 -12.545 -4.696 1.554 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.787 -7.024 -0.046 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.641 -4.045 -0.664 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.466 -5.356 -1.813 1.00 0.44 H new ATOM 87 N TYR A 11 -9.278 -6.700 -0.202 1.00 0.40 N ATOM 88 CA TYR A 11 -7.829 -6.684 -0.047 1.00 0.37 C ATOM 89 C TYR A 11 -7.134 -6.882 -1.390 1.00 0.34 C ATOM 90 O TYR A 11 -7.710 -7.435 -2.327 1.00 0.38 O ATOM 91 CB TYR A 11 -7.396 -7.775 0.928 1.00 0.42 C ATOM 92 CG TYR A 11 -7.679 -9.168 0.423 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.897 -9.718 -0.578 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.720 -9.903 0.962 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.157 -10.997 -1.040 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.980 -11.182 0.500 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.197 -11.723 -0.498 1.00 0.67 C ATOM 98 OH TYR A 11 -8.455 -12.995 -0.956 1.00 0.78 O ATOM 0 H TYR A 11 -9.623 -7.382 -0.877 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.539 -5.711 0.349 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.328 -7.676 1.123 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.909 -7.629 1.879 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -6.082 -9.148 -1.000 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.331 -9.478 1.745 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.547 -11.425 -1.822 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.794 -11.754 0.920 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.219 -13.369 -0.470 1.00 0.78 H new ATOM 108 N VAL A 12 -5.889 -6.424 -1.466 1.00 0.34 N ATOM 109 CA VAL A 12 -5.089 -6.538 -2.679 1.00 0.34 C ATOM 110 C VAL A 12 -3.630 -6.240 -2.361 1.00 0.35 C ATOM 111 O VAL A 12 -3.330 -5.556 -1.383 1.00 0.51 O ATOM 112 CB VAL A 12 -5.603 -5.570 -3.740 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.587 -4.137 -3.214 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.779 -5.684 -5.019 1.00 0.81 C ATOM 0 H VAL A 12 -5.408 -5.965 -0.692 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.170 -7.554 -3.065 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.634 -5.836 -3.974 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.957 -3.462 -3.986 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.225 -4.066 -2.333 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.567 -3.859 -2.947 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.162 -4.985 -5.762 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.737 -5.448 -4.803 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.848 -6.700 -5.407 1.00 0.81 H new ATOM 124 N GLU A 13 -2.721 -6.760 -3.180 1.00 0.49 N ATOM 125 CA GLU A 13 -1.294 -6.545 -2.960 1.00 0.54 C ATOM 126 C GLU A 13 -0.597 -6.113 -4.243 1.00 0.50 C ATOM 127 O GLU A 13 -0.998 -6.499 -5.342 1.00 0.60 O ATOM 128 CB GLU A 13 -0.649 -7.825 -2.431 1.00 0.67 C ATOM 129 CG GLU A 13 -1.536 -8.524 -1.405 1.00 1.05 C ATOM 130 CD GLU A 13 -1.112 -8.142 0.007 1.00 1.43 C ATOM 131 OE1 GLU A 13 -1.381 -6.994 0.418 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.512 -8.991 0.698 1.00 2.05 O ATOM 0 H GLU A 13 -2.944 -7.329 -3.996 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.183 -5.748 -2.225 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.451 -8.502 -3.262 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.313 -7.587 -1.977 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.578 -8.248 -1.567 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.469 -9.604 -1.532 1.00 1.05 H new ATOM 139 N ILE A 14 0.458 -5.318 -4.091 1.00 0.48 N ATOM 140 CA ILE A 14 1.232 -4.835 -5.229 1.00 0.49 C ATOM 141 C ILE A 14 2.662 -5.355 -5.146 1.00 0.48 C ATOM 142 O ILE A 14 3.355 -5.135 -4.151 1.00 0.43 O ATOM 143 CB ILE A 14 1.238 -3.309 -5.261 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.689 -2.742 -3.916 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.136 -2.765 -5.637 1.00 0.64 C ATOM 146 CD1 ILE A 14 2.891 -1.817 -4.073 1.00 0.63 C ATOM 0 H ILE A 14 0.798 -4.993 -3.186 1.00 0.48 H new ATOM 0 HA ILE A 14 0.769 -5.203 -6.144 1.00 0.49 H new ATOM 0 HB ILE A 14 1.949 -2.992 -6.024 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.866 -2.195 -3.456 1.00 0.51 H new ATOM 0 HG13 ILE A 14 1.944 -3.560 -3.242 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.104 -1.676 -5.653 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.416 -3.134 -6.624 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.872 -3.096 -4.904 1.00 0.64 H new ATOM 0 HD11 ILE A 14 3.184 -1.432 -3.096 1.00 0.63 H new ATOM 0 HD12 ILE A 14 3.722 -2.371 -4.509 1.00 0.63 H new ATOM 0 HD13 ILE A 14 2.627 -0.985 -4.726 1.00 0.63 H new ATOM 158 N ASN A 15 3.096 -6.052 -6.191 1.00 0.59 N ATOM 159 CA ASN A 15 4.443 -6.611 -6.233 1.00 0.62 C ATOM 160 C ASN A 15 5.473 -5.509 -6.440 1.00 0.60 C ATOM 161 O ASN A 15 5.374 -4.718 -7.378 1.00 0.78 O ATOM 162 CB ASN A 15 4.555 -7.647 -7.353 1.00 0.79 C ATOM 163 CG ASN A 15 3.300 -8.513 -7.416 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.747 -8.840 -6.254 1.00 2.20 O flip ATOM 165 ND2 ASN A 15 2.840 -8.879 -8.497 1.00 1.54 N flip ATOM 0 H ASN A 15 2.534 -6.243 -7.021 1.00 0.59 H new ATOM 0 HA ASN A 15 4.640 -7.100 -5.279 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.703 -7.143 -8.308 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.429 -8.277 -7.186 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.298 -8.604 -9.366 1.00 1.54 H new ATOM 0 HD22 ASN A 15 2.000 -9.458 -8.524 1.00 1.54 H new ATOM 172 N ILE A 16 6.462 -5.461 -5.553 1.00 0.49 N ATOM 173 CA ILE A 16 7.515 -4.456 -5.625 1.00 0.49 C ATOM 174 C ILE A 16 8.879 -5.113 -5.405 1.00 0.56 C ATOM 175 O ILE A 16 8.962 -6.243 -4.927 1.00 0.66 O ATOM 176 CB ILE A 16 7.240 -3.362 -4.580 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.111 -2.450 -5.063 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.486 -2.536 -4.251 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.867 -1.288 -4.104 1.00 0.84 C ATOM 0 H ILE A 16 6.555 -6.111 -4.772 1.00 0.49 H new ATOM 0 HA ILE A 16 7.526 -3.995 -6.613 1.00 0.49 H new ATOM 0 HB ILE A 16 6.940 -3.863 -3.660 1.00 0.48 H new ATOM 0 HG12 ILE A 16 6.357 -2.060 -6.051 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.195 -3.031 -5.169 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.235 -1.779 -3.508 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.262 -3.190 -3.854 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.850 -2.050 -5.156 1.00 0.58 H new ATOM 0 HD11 ILE A 16 5.057 -0.666 -4.485 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.595 -1.677 -3.123 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.775 -0.690 -4.018 1.00 0.84 H new ATOM 191 N ASP A 17 9.942 -4.398 -5.762 1.00 0.63 N ATOM 192 CA ASP A 17 11.299 -4.914 -5.608 1.00 0.75 C ATOM 193 C ASP A 17 12.240 -3.824 -5.111 1.00 1.00 C ATOM 194 O ASP A 17 12.799 -3.922 -4.019 1.00 1.75 O ATOM 195 CB ASP A 17 11.802 -5.458 -6.940 1.00 1.27 C ATOM 196 CG ASP A 17 10.786 -6.423 -7.538 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.794 -5.951 -8.131 1.00 2.21 O ATOM 198 OD2 ASP A 17 10.987 -7.649 -7.414 1.00 2.16 O ATOM 0 H ASP A 17 9.890 -3.460 -6.160 1.00 0.63 H new ATOM 0 HA ASP A 17 11.278 -5.717 -4.871 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.982 -4.635 -7.632 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.755 -5.967 -6.796 1.00 1.27 H new ATOM 203 N HIS A 18 12.416 -2.786 -5.925 1.00 1.27 N ATOM 204 CA HIS A 18 13.296 -1.673 -5.579 1.00 1.85 C ATOM 205 C HIS A 18 13.003 -1.164 -4.173 1.00 1.32 C ATOM 206 O HIS A 18 12.099 -1.657 -3.498 1.00 2.00 O ATOM 207 CB HIS A 18 13.115 -0.539 -6.584 1.00 2.83 C ATOM 208 CG HIS A 18 14.083 -0.612 -7.724 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.250 -1.729 -8.497 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.949 0.300 -8.235 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.158 -1.529 -9.425 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.610 -0.293 -9.295 1.00 4.84 N ATOM 0 H HIS A 18 11.959 -2.693 -6.832 1.00 1.27 H new ATOM 0 HA HIS A 18 14.326 -2.028 -5.610 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.098 -0.566 -6.975 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.235 0.416 -6.072 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.096 1.309 -7.878 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.479 -2.248 -10.164 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.323 0.147 -9.876 1.00 4.84 H new ATOM 220 N LYS A 19 13.774 -0.172 -3.737 1.00 0.82 N ATOM 221 CA LYS A 19 13.599 0.410 -2.411 1.00 0.84 C ATOM 222 C LYS A 19 12.360 1.296 -2.376 1.00 0.77 C ATOM 223 O LYS A 19 12.449 2.498 -2.130 1.00 1.13 O ATOM 224 CB LYS A 19 14.832 1.231 -2.034 1.00 1.47 C ATOM 225 CG LYS A 19 16.125 0.530 -2.446 1.00 1.97 C ATOM 226 CD LYS A 19 16.776 1.214 -3.645 1.00 2.72 C ATOM 227 CE LYS A 19 18.280 0.954 -3.691 1.00 3.37 C ATOM 228 NZ LYS A 19 18.703 0.465 -5.034 1.00 4.03 N ATOM 0 H LYS A 19 14.527 0.246 -4.284 1.00 0.82 H new ATOM 0 HA LYS A 19 13.471 -0.399 -1.692 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.779 2.208 -2.514 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.839 1.404 -0.958 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.821 0.525 -1.607 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.914 -0.511 -2.690 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.315 0.854 -4.565 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.593 2.287 -3.596 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.818 1.871 -3.449 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.548 0.218 -2.933 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.729 0.297 -5.035 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.207 -0.423 -5.252 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.468 1.179 -5.753 1.00 4.03 H new ATOM 242 N PHE A 20 11.203 0.693 -2.630 1.00 0.63 N ATOM 243 CA PHE A 20 9.940 1.421 -2.634 1.00 0.61 C ATOM 244 C PHE A 20 9.451 1.662 -1.210 1.00 0.62 C ATOM 245 O PHE A 20 9.069 2.778 -0.855 1.00 0.95 O ATOM 246 CB PHE A 20 8.897 0.625 -3.413 1.00 0.62 C ATOM 247 CG PHE A 20 8.403 1.334 -4.648 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.227 1.459 -5.752 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.122 1.858 -4.682 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.773 2.106 -6.888 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.667 2.506 -5.818 1.00 1.17 C ATOM 252 CZ PHE A 20 7.493 2.629 -6.921 1.00 1.19 C ATOM 0 H PHE A 20 11.115 -0.302 -2.836 1.00 0.63 H new ATOM 0 HA PHE A 20 10.095 2.388 -3.112 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.324 -0.336 -3.701 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.050 0.414 -2.761 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.227 1.051 -5.727 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.477 1.761 -3.821 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.418 2.203 -7.749 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.668 2.915 -5.843 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.138 3.133 -7.808 1.00 1.19 H new ATOM 262 N HIS A 21 9.460 0.609 -0.399 1.00 0.53 N ATOM 263 CA HIS A 21 9.013 0.698 0.987 1.00 0.57 C ATOM 264 C HIS A 21 9.661 1.884 1.694 1.00 0.69 C ATOM 265 O HIS A 21 8.989 2.855 2.040 1.00 1.03 O ATOM 266 CB HIS A 21 9.352 -0.592 1.728 1.00 0.54 C ATOM 267 CG HIS A 21 8.556 -1.767 1.253 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.209 -2.817 2.061 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.029 -2.071 0.039 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.515 -3.712 1.399 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.385 -3.288 0.152 1.00 0.42 N ATOM 0 H HIS A 21 9.774 -0.320 -0.679 1.00 0.53 H new ATOM 0 HA HIS A 21 7.933 0.844 0.988 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.414 -0.806 1.606 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.177 -0.449 2.794 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.101 -1.469 -0.855 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.119 -4.633 1.801 1.00 0.45 H new ATOM 0 HE2 HIS A 21 6.894 -3.776 -0.597 1.00 0.42 H new ATOM 279 N ARG A 22 10.971 1.797 1.910 1.00 0.68 N ATOM 280 CA ARG A 22 11.712 2.862 2.581 1.00 0.80 C ATOM 281 C ARG A 22 11.376 4.221 1.978 1.00 0.81 C ATOM 282 O ARG A 22 11.418 5.242 2.665 1.00 0.92 O ATOM 283 CB ARG A 22 13.211 2.603 2.471 1.00 0.93 C ATOM 284 CG ARG A 22 13.954 3.061 3.722 1.00 1.64 C ATOM 285 CD ARG A 22 15.262 2.296 3.909 1.00 2.14 C ATOM 286 NE ARG A 22 16.300 3.181 4.423 1.00 2.73 N ATOM 287 CZ ARG A 22 17.588 2.958 4.183 1.00 3.33 C ATOM 288 NH1 ARG A 22 18.022 1.720 3.991 1.00 3.72 N ATOM 289 NH2 ARG A 22 18.441 3.971 4.133 1.00 3.95 N ATOM 0 H ARG A 22 11.542 0.999 1.630 1.00 0.68 H new ATOM 0 HA ARG A 22 11.423 2.870 3.632 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.386 1.539 2.312 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.608 3.125 1.600 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.163 4.129 3.652 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.319 2.917 4.596 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.109 1.465 4.598 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.579 1.867 2.958 1.00 2.14 H new ATOM 0 HE ARG A 22 16.031 3.992 4.981 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.367 0.939 4.027 1.00 3.72 H new ATOM 0 HH12 ARG A 22 19.011 1.549 3.807 1.00 3.72 H new ATOM 0 HH21 ARG A 22 18.110 4.925 4.279 1.00 3.95 H new ATOM 0 HH22 ARG A 22 19.429 3.797 3.949 1.00 3.95 H new ATOM 303 N HIS A 23 11.043 4.229 0.692 1.00 0.90 N ATOM 304 CA HIS A 23 10.698 5.465 -0.002 1.00 0.98 C ATOM 305 C HIS A 23 9.267 5.875 0.320 1.00 0.96 C ATOM 306 O HIS A 23 8.970 7.060 0.472 1.00 1.12 O ATOM 307 CB HIS A 23 10.858 5.284 -1.508 1.00 1.02 C ATOM 308 CG HIS A 23 12.094 5.934 -2.051 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.540 7.164 -1.641 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.992 5.529 -2.985 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.640 7.500 -2.274 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.948 6.522 -3.108 1.00 1.86 N ATOM 0 H HIS A 23 11.005 3.393 0.108 1.00 0.90 H new ATOM 0 HA HIS A 23 11.373 6.251 0.337 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.884 4.219 -1.739 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.985 5.699 -2.012 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.965 4.599 -3.533 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.196 8.416 -2.137 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.752 6.502 -3.735 1.00 1.86 H new ATOM 320 N LEU A 24 8.384 4.887 0.422 1.00 0.86 N ATOM 321 CA LEU A 24 6.979 5.143 0.724 1.00 0.87 C ATOM 322 C LEU A 24 6.829 5.692 2.138 1.00 0.97 C ATOM 323 O LEU A 24 6.133 6.684 2.357 1.00 1.16 O ATOM 324 CB LEU A 24 6.171 3.858 0.577 1.00 0.73 C ATOM 325 CG LEU A 24 5.726 3.633 -0.866 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.231 2.288 -1.383 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.206 3.722 -0.985 1.00 1.25 C ATOM 0 H LEU A 24 8.616 3.901 0.300 1.00 0.86 H new ATOM 0 HA LEU A 24 6.602 5.885 0.020 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.771 3.011 0.909 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.296 3.902 1.225 1.00 0.73 H new ATOM 0 HG LEU A 24 6.161 4.420 -1.482 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.903 2.148 -2.413 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.320 2.269 -1.343 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.831 1.486 -0.762 1.00 0.72 H new ATOM 0 HD21 LEU A 24 3.912 3.558 -2.022 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.746 2.962 -0.353 1.00 1.25 H new ATOM 0 HD23 LEU A 24 3.873 4.709 -0.665 1.00 1.25 H new ATOM 339 N ILE A 25 7.482 5.041 3.095 1.00 0.92 N ATOM 340 CA ILE A 25 7.418 5.466 4.489 1.00 1.10 C ATOM 341 C ILE A 25 8.383 6.618 4.750 1.00 1.41 C ATOM 342 O ILE A 25 8.195 7.397 5.684 1.00 1.91 O ATOM 343 CB ILE A 25 7.744 4.290 5.409 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.187 3.826 5.215 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.780 3.134 5.172 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.783 3.318 6.524 1.00 0.91 C ATOM 0 H ILE A 25 8.061 4.218 2.931 1.00 0.92 H new ATOM 0 HA ILE A 25 6.406 5.814 4.697 1.00 1.10 H new ATOM 0 HB ILE A 25 7.630 4.631 6.438 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.220 3.035 4.466 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.789 4.651 4.834 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.031 2.308 5.838 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.760 3.464 5.372 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.858 2.802 4.137 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.810 2.995 6.355 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.772 4.118 7.264 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.194 2.477 6.890 1.00 0.91 H new ATOM 358 N GLY A 26 9.417 6.721 3.920 1.00 1.49 N ATOM 359 CA GLY A 26 10.411 7.779 4.064 1.00 1.87 C ATOM 360 C GLY A 26 11.353 7.485 5.224 1.00 1.82 C ATOM 361 O GLY A 26 12.353 6.787 5.061 1.00 2.29 O ATOM 0 H GLY A 26 9.588 6.085 3.141 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.983 7.874 3.141 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.911 8.733 4.229 1.00 1.87 H new ATOM 365 N LYS A 27 11.025 8.019 6.395 1.00 1.86 N ATOM 366 CA LYS A 27 11.840 7.813 7.586 1.00 1.91 C ATOM 367 C LYS A 27 11.097 6.944 8.593 1.00 1.62 C ATOM 368 O LYS A 27 11.498 5.813 8.866 1.00 2.38 O ATOM 369 CB LYS A 27 12.191 9.156 8.218 1.00 2.21 C ATOM 370 CG LYS A 27 13.635 9.184 8.712 1.00 2.65 C ATOM 371 CD LYS A 27 14.305 10.523 8.417 1.00 3.30 C ATOM 372 CE LYS A 27 14.549 11.322 9.692 1.00 3.80 C ATOM 373 NZ LYS A 27 15.263 10.507 10.714 1.00 4.51 N ATOM 0 H LYS A 27 10.199 8.599 6.545 1.00 1.86 H new ATOM 0 HA LYS A 27 12.759 7.305 7.295 1.00 1.91 H new ATOM 0 HB2 LYS A 27 12.040 9.952 7.489 1.00 2.21 H new ATOM 0 HB3 LYS A 27 11.517 9.354 9.051 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.656 8.995 9.785 1.00 2.65 H new ATOM 0 HG3 LYS A 27 14.199 8.382 8.235 1.00 2.65 H new ATOM 0 HD2 LYS A 27 15.253 10.351 7.908 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.679 11.102 7.738 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.134 12.212 9.460 1.00 3.80 H new ATOM 0 HE3 LYS A 27 13.597 11.664 10.097 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 15.885 11.122 11.276 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 14.570 10.051 11.341 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 15.833 9.778 10.240 1.00 4.51 H new ATOM 387 N SER A 28 10.012 7.481 9.141 1.00 1.28 N ATOM 388 CA SER A 28 9.209 6.755 10.117 1.00 1.60 C ATOM 389 C SER A 28 7.782 6.584 9.612 1.00 1.60 C ATOM 390 O SER A 28 6.834 6.552 10.396 1.00 2.28 O ATOM 391 CB SER A 28 9.201 7.502 11.446 1.00 1.99 C ATOM 392 OG SER A 28 8.805 8.853 11.253 1.00 2.57 O ATOM 0 H SER A 28 9.669 8.417 8.925 1.00 1.28 H new ATOM 0 HA SER A 28 9.649 5.769 10.263 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.519 7.012 12.141 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.193 7.468 11.895 1.00 1.99 H new ATOM 0 HG SER A 28 8.803 9.320 12.115 1.00 2.57 H new ATOM 398 N GLY A 29 7.636 6.472 8.295 1.00 1.21 N ATOM 399 CA GLY A 29 6.324 6.302 7.681 1.00 1.23 C ATOM 400 C GLY A 29 5.465 7.543 7.876 1.00 1.36 C ATOM 401 O GLY A 29 5.335 8.052 8.990 1.00 2.05 O ATOM 0 H GLY A 29 8.411 6.496 7.632 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.440 6.100 6.616 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.824 5.437 8.117 1.00 1.23 H new ATOM 405 N ALA A 30 4.885 8.030 6.784 1.00 1.00 N ATOM 406 CA ALA A 30 4.042 9.218 6.828 1.00 1.10 C ATOM 407 C ALA A 30 3.053 9.216 5.669 1.00 1.06 C ATOM 408 O ALA A 30 1.858 9.443 5.859 1.00 1.43 O ATOM 409 CB ALA A 30 4.911 10.469 6.762 1.00 1.27 C ATOM 0 H ALA A 30 4.984 7.619 5.856 1.00 1.00 H new ATOM 0 HA ALA A 30 3.482 9.213 7.763 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.277 11.355 6.795 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.596 10.481 7.610 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.482 10.467 5.834 1.00 1.27 H new ATOM 415 N ASN A 31 3.560 8.965 4.467 1.00 0.73 N ATOM 416 CA ASN A 31 2.726 8.937 3.270 1.00 0.69 C ATOM 417 C ASN A 31 1.644 7.870 3.388 1.00 0.60 C ATOM 418 O ASN A 31 0.497 8.093 3.001 1.00 0.58 O ATOM 419 CB ASN A 31 3.588 8.664 2.042 1.00 0.71 C ATOM 420 CG ASN A 31 4.072 9.974 1.434 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.366 10.983 1.466 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.278 9.961 0.879 1.00 1.42 N ATOM 0 H ASN A 31 4.548 8.777 4.295 1.00 0.73 H new ATOM 0 HA ASN A 31 2.244 9.909 3.165 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.442 8.046 2.319 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.015 8.103 1.304 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.654 10.810 0.456 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.828 9.102 0.875 1.00 1.42 H new ATOM 429 N ILE A 32 2.014 6.710 3.923 1.00 0.58 N ATOM 430 CA ILE A 32 1.072 5.605 4.090 1.00 0.56 C ATOM 431 C ILE A 32 -0.223 6.090 4.729 1.00 0.52 C ATOM 432 O ILE A 32 -1.313 5.647 4.363 1.00 0.51 O ATOM 433 CB ILE A 32 1.690 4.502 4.948 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.487 5.088 6.111 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.570 3.587 4.104 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.815 4.022 7.151 1.00 1.07 C ATOM 0 H ILE A 32 2.960 6.510 4.249 1.00 0.58 H new ATOM 0 HA ILE A 32 0.845 5.203 3.102 1.00 0.56 H new ATOM 0 HB ILE A 32 0.875 3.909 5.363 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.410 5.529 5.736 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.916 5.891 6.578 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.999 2.810 4.737 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.969 3.126 3.320 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.372 4.170 3.651 1.00 0.69 H new ATOM 0 HD11 ILE A 32 3.383 4.471 7.966 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.890 3.599 7.543 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.407 3.232 6.688 1.00 1.07 H new ATOM 448 N ASN A 33 -0.097 7.002 5.684 1.00 0.56 N ATOM 449 CA ASN A 33 -1.253 7.554 6.379 1.00 0.59 C ATOM 450 C ASN A 33 -2.075 8.433 5.441 1.00 0.54 C ATOM 451 O ASN A 33 -3.304 8.454 5.513 1.00 0.55 O ATOM 452 CB ASN A 33 -0.793 8.371 7.584 1.00 0.71 C ATOM 453 CG ASN A 33 -1.763 8.194 8.744 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.341 9.163 9.237 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.940 6.954 9.183 1.00 1.62 N ATOM 0 H ASN A 33 0.799 7.377 5.996 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.879 6.729 6.720 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.206 8.056 7.885 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.727 9.425 7.314 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.576 6.774 9.960 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.440 6.181 8.744 1.00 1.62 H new ATOM 462 N ARG A 34 -1.389 9.159 4.565 1.00 0.55 N ATOM 463 CA ARG A 34 -2.053 10.045 3.614 1.00 0.56 C ATOM 464 C ARG A 34 -3.049 9.271 2.759 1.00 0.48 C ATOM 465 O ARG A 34 -4.207 9.670 2.630 1.00 0.48 O ATOM 466 CB ARG A 34 -1.016 10.721 2.722 1.00 0.65 C ATOM 467 CG ARG A 34 -0.806 12.181 3.115 1.00 0.89 C ATOM 468 CD ARG A 34 -0.096 12.305 4.460 1.00 1.22 C ATOM 469 NE ARG A 34 0.385 13.667 4.657 1.00 1.69 N ATOM 470 CZ ARG A 34 1.091 14.011 5.729 1.00 2.27 C ATOM 471 NH1 ARG A 34 0.575 13.860 6.942 1.00 2.90 N ATOM 472 NH2 ARG A 34 2.313 14.506 5.590 1.00 2.78 N ATOM 0 H ARG A 34 -0.372 9.152 4.493 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.598 10.806 4.173 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.070 10.185 2.792 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.338 10.666 1.682 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.220 12.685 2.346 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.770 12.687 3.164 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.779 12.034 5.265 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.740 11.607 4.503 1.00 1.22 H new ATOM 0 HE ARG A 34 0.174 14.375 3.953 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -0.365 13.479 7.053 1.00 2.90 H new ATOM 0 HH12 ARG A 34 1.118 14.124 7.764 1.00 2.90 H new ATOM 0 HH21 ARG A 34 2.713 14.623 4.659 1.00 2.78 H new ATOM 0 HH22 ARG A 34 2.853 14.769 6.414 1.00 2.78 H new ATOM 486 N ILE A 35 -2.597 8.164 2.178 1.00 0.45 N ATOM 487 CA ILE A 35 -3.456 7.336 1.338 1.00 0.40 C ATOM 488 C ILE A 35 -4.615 6.790 2.172 1.00 0.34 C ATOM 489 O ILE A 35 -5.782 7.024 1.860 1.00 0.34 O ATOM 490 CB ILE A 35 -2.637 6.194 0.709 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.749 6.721 -0.421 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.532 5.071 0.178 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.886 7.899 0.025 1.00 1.29 C ATOM 0 H ILE A 35 -1.642 7.820 2.273 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.868 7.939 0.529 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.010 5.782 1.500 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.106 5.917 -0.780 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -2.374 7.028 -1.259 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.912 4.287 -0.257 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.120 4.657 0.997 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.202 5.469 -0.584 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.274 8.238 -0.810 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -1.528 8.714 0.359 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.240 7.587 0.845 1.00 1.29 H new ATOM 505 N LYS A 36 -4.279 6.065 3.235 1.00 0.35 N ATOM 506 CA LYS A 36 -5.280 5.482 4.124 1.00 0.36 C ATOM 507 C LYS A 36 -6.365 6.499 4.466 1.00 0.39 C ATOM 508 O LYS A 36 -7.555 6.205 4.369 1.00 0.51 O ATOM 509 CB LYS A 36 -4.611 4.992 5.405 1.00 0.44 C ATOM 510 CG LYS A 36 -3.609 3.878 5.121 1.00 1.09 C ATOM 511 CD LYS A 36 -2.691 3.630 6.313 1.00 1.41 C ATOM 512 CE LYS A 36 -3.479 3.208 7.549 1.00 2.17 C ATOM 513 NZ LYS A 36 -3.267 4.158 8.676 1.00 2.76 N ATOM 0 H LYS A 36 -3.315 5.866 3.503 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.746 4.641 3.610 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.103 5.824 5.893 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.371 4.632 6.099 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.144 2.960 4.876 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -3.010 4.140 4.249 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -1.967 2.856 6.060 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -2.126 4.536 6.533 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -4.541 3.159 7.307 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -3.175 2.206 7.853 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -3.816 3.845 9.502 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -2.257 4.186 8.921 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -3.580 5.108 8.393 1.00 2.76 H new ATOM 527 N ASP A 37 -5.946 7.696 4.863 1.00 0.40 N ATOM 528 CA ASP A 37 -6.881 8.758 5.216 1.00 0.45 C ATOM 529 C ASP A 37 -7.565 9.307 3.968 1.00 0.44 C ATOM 530 O ASP A 37 -8.661 9.862 4.043 1.00 0.60 O ATOM 531 CB ASP A 37 -6.145 9.882 5.937 1.00 0.51 C ATOM 532 CG ASP A 37 -7.139 10.865 6.543 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.678 10.572 7.631 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.376 11.927 5.928 1.00 1.56 O ATOM 0 H ASP A 37 -4.963 7.955 4.948 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.641 8.343 5.877 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.511 9.466 6.720 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.489 10.402 5.239 1.00 0.51 H new ATOM 539 N GLN A 38 -6.910 9.150 2.821 1.00 0.41 N ATOM 540 CA GLN A 38 -7.452 9.632 1.556 1.00 0.46 C ATOM 541 C GLN A 38 -8.496 8.667 1.013 1.00 0.42 C ATOM 542 O GLN A 38 -9.672 9.011 0.894 1.00 0.68 O ATOM 543 CB GLN A 38 -6.329 9.795 0.538 1.00 0.54 C ATOM 544 CG GLN A 38 -6.804 10.512 -0.714 1.00 0.65 C ATOM 545 CD GLN A 38 -7.127 11.967 -0.405 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.229 12.791 -0.233 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.415 12.285 -0.332 1.00 1.66 N ATOM 0 H GLN A 38 -6.002 8.692 2.742 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.927 10.597 1.733 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.508 10.354 0.988 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.937 8.814 0.269 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -6.034 10.460 -1.484 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.688 10.014 -1.112 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -9.126 11.569 -0.482 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -8.692 13.245 -0.126 1.00 1.66 H new ATOM 556 N TYR A 39 -8.057 7.460 0.675 1.00 0.34 N ATOM 557 CA TYR A 39 -8.951 6.444 0.132 1.00 0.34 C ATOM 558 C TYR A 39 -9.559 5.589 1.240 1.00 0.30 C ATOM 559 O TYR A 39 -10.068 4.500 0.977 1.00 0.32 O ATOM 560 CB TYR A 39 -8.191 5.556 -0.849 1.00 0.39 C ATOM 561 CG TYR A 39 -7.527 6.335 -1.957 1.00 0.46 C ATOM 562 CD1 TYR A 39 -6.272 6.885 -1.764 1.00 0.53 C ATOM 563 CD2 TYR A 39 -8.169 6.503 -3.171 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.662 7.599 -2.780 1.00 0.62 C ATOM 565 CE2 TYR A 39 -7.560 7.218 -4.187 1.00 0.73 C ATOM 566 CZ TYR A 39 -6.310 7.765 -3.985 1.00 0.66 C ATOM 567 OH TYR A 39 -5.703 8.472 -4.998 1.00 0.77 O ATOM 0 H TYR A 39 -7.086 7.161 0.768 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.764 6.952 -0.387 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.434 4.990 -0.306 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.880 4.832 -1.284 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.767 6.757 -0.818 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -9.148 6.075 -3.326 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.681 8.025 -2.629 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -8.062 7.347 -5.135 1.00 0.73 H new ATOM 0 HH TYR A 39 -6.293 8.495 -5.780 1.00 0.77 H new ATOM 577 N LYS A 40 -9.510 6.080 2.480 1.00 0.28 N ATOM 578 CA LYS A 40 -10.065 5.345 3.619 1.00 0.31 C ATOM 579 C LYS A 40 -9.659 3.877 3.562 1.00 0.29 C ATOM 580 O LYS A 40 -10.490 2.985 3.738 1.00 0.39 O ATOM 581 CB LYS A 40 -11.587 5.459 3.617 1.00 0.38 C ATOM 582 CG LYS A 40 -12.059 6.690 4.386 1.00 0.86 C ATOM 583 CD LYS A 40 -13.445 7.137 3.931 1.00 1.29 C ATOM 584 CE LYS A 40 -14.382 7.354 5.116 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.804 8.315 6.096 1.00 2.56 N ATOM 0 H LYS A 40 -9.094 6.979 2.721 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.669 5.780 4.537 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.947 5.511 2.590 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.020 4.563 4.062 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.079 6.468 5.453 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.348 7.504 4.243 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.360 8.061 3.359 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.869 6.387 3.264 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -15.342 7.728 4.759 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.575 6.401 5.609 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.572 8.777 6.624 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.186 7.805 6.759 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.250 9.035 5.590 1.00 2.56 H new ATOM 599 N VAL A 41 -8.381 3.636 3.294 1.00 0.23 N ATOM 600 CA VAL A 41 -7.862 2.278 3.190 1.00 0.23 C ATOM 601 C VAL A 41 -6.793 2.016 4.244 1.00 0.27 C ATOM 602 O VAL A 41 -6.493 2.879 5.068 1.00 0.33 O ATOM 603 CB VAL A 41 -7.282 2.067 1.797 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.396 1.960 0.763 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.326 3.200 1.434 1.00 0.23 C ATOM 0 H VAL A 41 -7.684 4.365 3.145 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.680 1.578 3.360 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.722 1.132 1.800 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.962 1.810 -0.225 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.040 1.116 1.009 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.984 2.878 0.765 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.923 3.030 0.436 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.863 4.149 1.452 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.509 3.232 2.155 1.00 0.23 H new ATOM 615 N SER A 42 -6.221 0.815 4.210 1.00 0.29 N ATOM 616 CA SER A 42 -5.184 0.431 5.161 1.00 0.34 C ATOM 617 C SER A 42 -4.018 -0.238 4.441 1.00 0.30 C ATOM 618 O SER A 42 -4.068 -1.429 4.133 1.00 0.36 O ATOM 619 CB SER A 42 -5.760 -0.519 6.205 1.00 0.43 C ATOM 620 OG SER A 42 -5.189 -0.258 7.479 1.00 0.93 O ATOM 0 H SER A 42 -6.459 0.091 3.533 1.00 0.29 H new ATOM 0 HA SER A 42 -4.819 1.331 5.656 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.843 -0.403 6.254 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.563 -1.551 5.915 1.00 0.43 H new ATOM 0 HG SER A 42 -5.569 -0.874 8.140 1.00 0.93 H new ATOM 626 N VAL A 43 -2.968 0.534 4.181 1.00 0.33 N ATOM 627 CA VAL A 43 -1.785 0.016 3.502 1.00 0.34 C ATOM 628 C VAL A 43 -0.785 -0.517 4.520 1.00 0.35 C ATOM 629 O VAL A 43 -0.747 -0.060 5.662 1.00 0.55 O ATOM 630 CB VAL A 43 -1.142 1.119 2.662 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.145 0.627 2.007 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.120 1.629 1.607 1.00 1.25 C ATOM 0 H VAL A 43 -2.912 1.521 4.430 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.084 -0.801 2.846 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.888 1.945 3.326 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.582 1.431 1.415 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.851 0.319 2.778 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.078 -0.221 1.359 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.644 2.414 1.019 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.408 0.808 0.951 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.007 2.030 2.097 1.00 1.25 H new ATOM 642 N ARG A 44 0.018 -1.490 4.105 1.00 0.31 N ATOM 643 CA ARG A 44 1.012 -2.087 4.990 1.00 0.42 C ATOM 644 C ARG A 44 2.336 -2.290 4.265 1.00 0.40 C ATOM 645 O ARG A 44 2.377 -2.850 3.171 1.00 0.41 O ATOM 646 CB ARG A 44 0.499 -3.424 5.515 1.00 0.52 C ATOM 647 CG ARG A 44 -0.942 -3.318 6.003 1.00 0.78 C ATOM 648 CD ARG A 44 -1.570 -4.695 6.199 1.00 1.05 C ATOM 649 NE ARG A 44 -1.391 -5.143 7.574 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.424 -5.480 8.340 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.512 -6.007 7.794 1.00 2.28 N ATOM 652 NH2 ARG A 44 -2.370 -5.290 9.650 1.00 2.27 N ATOM 0 H ARG A 44 0.001 -1.882 3.163 1.00 0.31 H new ATOM 0 HA ARG A 44 1.180 -1.408 5.826 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.563 -4.174 4.727 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.136 -3.764 6.331 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.969 -2.768 6.943 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.530 -2.748 5.283 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.632 -4.655 5.958 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.115 -5.410 5.514 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.448 -5.200 7.959 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.557 -6.154 6.786 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -4.304 -6.265 8.383 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -1.535 -4.885 10.073 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -3.164 -5.549 10.236 1.00 2.27 H new ATOM 666 N ILE A 45 3.418 -1.835 4.890 1.00 0.46 N ATOM 667 CA ILE A 45 4.753 -1.969 4.317 1.00 0.47 C ATOM 668 C ILE A 45 5.520 -3.074 5.044 1.00 0.53 C ATOM 669 O ILE A 45 6.123 -2.837 6.089 1.00 0.64 O ATOM 670 CB ILE A 45 5.497 -0.631 4.420 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.883 0.392 3.464 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.993 -0.788 4.138 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.203 0.064 2.006 1.00 0.56 C ATOM 0 H ILE A 45 3.396 -1.369 5.797 1.00 0.46 H new ATOM 0 HA ILE A 45 4.673 -2.240 3.264 1.00 0.47 H new ATOM 0 HB ILE A 45 5.391 -0.274 5.444 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.802 0.417 3.603 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.259 1.387 3.704 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.483 0.182 4.221 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.429 -1.478 4.861 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.134 -1.181 3.131 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.750 0.813 1.357 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.283 0.064 1.862 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.804 -0.920 1.758 1.00 0.56 H new ATOM 685 N PRO A 46 5.501 -4.301 4.496 1.00 0.48 N ATOM 686 CA PRO A 46 6.197 -5.444 5.100 1.00 0.58 C ATOM 687 C PRO A 46 7.711 -5.359 4.918 1.00 0.61 C ATOM 688 O PRO A 46 8.218 -5.498 3.805 1.00 0.56 O ATOM 689 CB PRO A 46 5.620 -6.648 4.360 1.00 0.57 C ATOM 690 CG PRO A 46 5.153 -6.118 3.046 1.00 0.47 C ATOM 691 CD PRO A 46 4.802 -4.668 3.251 1.00 0.41 C ATOM 0 HA PRO A 46 6.049 -5.492 6.179 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.373 -7.424 4.225 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.797 -7.095 4.918 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.931 -6.222 2.290 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.287 -6.677 2.691 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.133 -4.055 2.413 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.725 -4.528 3.342 1.00 0.41 H new ATOM 699 N PRO A 47 8.459 -5.129 6.013 1.00 0.74 N ATOM 700 CA PRO A 47 9.921 -5.032 5.955 1.00 0.81 C ATOM 701 C PRO A 47 10.573 -6.398 5.778 1.00 0.87 C ATOM 702 O PRO A 47 11.362 -6.834 6.616 1.00 1.53 O ATOM 703 CB PRO A 47 10.296 -4.410 7.297 1.00 0.98 C ATOM 704 CG PRO A 47 9.180 -4.764 8.223 1.00 1.03 C ATOM 705 CD PRO A 47 7.943 -4.952 7.382 1.00 0.85 C ATOM 0 HA PRO A 47 10.264 -4.444 5.104 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.247 -4.801 7.660 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.408 -3.329 7.212 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.412 -5.675 8.774 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.027 -3.976 8.960 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.369 -5.820 7.706 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.281 -4.089 7.449 1.00 0.85 H new ATOM 713 N ASP A 48 10.237 -7.072 4.682 1.00 1.32 N ATOM 714 CA ASP A 48 10.786 -8.392 4.395 1.00 1.46 C ATOM 715 C ASP A 48 11.903 -8.296 3.363 1.00 1.48 C ATOM 716 O ASP A 48 11.892 -7.415 2.502 1.00 2.18 O ATOM 717 CB ASP A 48 9.684 -9.312 3.881 1.00 2.16 C ATOM 718 CG ASP A 48 9.428 -9.056 2.402 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.385 -9.156 1.606 1.00 3.01 O ATOM 720 OD2 ASP A 48 8.270 -8.756 2.041 1.00 3.03 O ATOM 0 H ASP A 48 9.586 -6.725 3.978 1.00 1.32 H new ATOM 0 HA ASP A 48 11.199 -8.803 5.316 1.00 1.46 H new ATOM 0 HB2 ASP A 48 9.970 -10.353 4.033 1.00 2.16 H new ATOM 0 HB3 ASP A 48 8.769 -9.147 4.449 1.00 2.16 H new ATOM 725 N SER A 49 12.865 -9.210 3.453 1.00 1.59 N ATOM 726 CA SER A 49 13.990 -9.234 2.525 1.00 2.11 C ATOM 727 C SER A 49 14.229 -10.649 2.016 1.00 1.90 C ATOM 728 O SER A 49 15.059 -11.382 2.555 1.00 2.33 O ATOM 729 CB SER A 49 15.249 -8.714 3.214 1.00 3.03 C ATOM 730 OG SER A 49 15.152 -7.317 3.440 1.00 3.81 O ATOM 0 H SER A 49 12.887 -9.945 4.160 1.00 1.59 H new ATOM 0 HA SER A 49 13.753 -8.590 1.678 1.00 2.11 H new ATOM 0 HB2 SER A 49 15.392 -9.232 4.162 1.00 3.03 H new ATOM 0 HB3 SER A 49 16.122 -8.929 2.598 1.00 3.03 H new ATOM 0 HG SER A 49 15.966 -7.000 3.884 1.00 3.81 H new ATOM 736 N GLU A 50 13.496 -11.029 0.975 1.00 1.92 N ATOM 737 CA GLU A 50 13.624 -12.359 0.391 1.00 2.27 C ATOM 738 C GLU A 50 14.099 -12.264 -1.054 1.00 2.09 C ATOM 739 O GLU A 50 15.229 -12.631 -1.372 1.00 2.74 O ATOM 740 CB GLU A 50 12.283 -13.084 0.447 1.00 3.06 C ATOM 741 CG GLU A 50 12.359 -14.460 -0.211 1.00 3.83 C ATOM 742 CD GLU A 50 11.034 -15.194 -0.061 1.00 4.43 C ATOM 743 OE1 GLU A 50 10.063 -14.577 0.428 1.00 4.75 O ATOM 744 OE2 GLU A 50 10.968 -16.386 -0.431 1.00 4.97 O ATOM 0 H GLU A 50 12.806 -10.433 0.518 1.00 1.92 H new ATOM 0 HA GLU A 50 14.361 -12.920 0.966 1.00 2.27 H new ATOM 0 HB2 GLU A 50 11.971 -13.194 1.486 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.523 -12.483 -0.052 1.00 3.06 H new ATOM 0 HG2 GLU A 50 12.604 -14.352 -1.267 1.00 3.83 H new ATOM 0 HG3 GLU A 50 13.159 -15.044 0.244 1.00 3.83 H new ATOM 751 N LYS A 51 13.225 -11.768 -1.924 1.00 1.76 N ATOM 752 CA LYS A 51 13.549 -11.619 -3.338 1.00 1.77 C ATOM 753 C LYS A 51 12.665 -10.554 -3.971 1.00 1.55 C ATOM 754 O LYS A 51 13.157 -9.594 -4.564 1.00 2.20 O ATOM 755 CB LYS A 51 13.354 -12.948 -4.061 1.00 2.14 C ATOM 756 CG LYS A 51 14.547 -13.280 -4.955 1.00 2.60 C ATOM 757 CD LYS A 51 14.149 -13.322 -6.427 1.00 3.36 C ATOM 758 CE LYS A 51 13.160 -14.449 -6.710 1.00 4.12 C ATOM 759 NZ LYS A 51 13.727 -15.442 -7.663 1.00 4.81 N ATOM 0 H LYS A 51 12.285 -11.462 -1.674 1.00 1.76 H new ATOM 0 HA LYS A 51 14.591 -11.313 -3.427 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.214 -13.744 -3.330 1.00 2.14 H new ATOM 0 HB3 LYS A 51 12.447 -12.906 -4.664 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.330 -12.536 -4.810 1.00 2.60 H new ATOM 0 HG3 LYS A 51 14.965 -14.243 -4.663 1.00 2.60 H new ATOM 0 HD2 LYS A 51 13.705 -12.368 -6.712 1.00 3.36 H new ATOM 0 HD3 LYS A 51 15.039 -13.456 -7.041 1.00 3.36 H new ATOM 0 HE2 LYS A 51 12.897 -14.947 -5.777 1.00 4.12 H new ATOM 0 HE3 LYS A 51 12.240 -14.033 -7.120 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 13.031 -16.195 -7.835 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 13.955 -14.970 -8.561 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 14.592 -15.856 -7.260 1.00 4.81 H new ATOM 773 N SER A 52 11.354 -10.728 -3.838 1.00 1.19 N ATOM 774 CA SER A 52 10.394 -9.783 -4.393 1.00 1.04 C ATOM 775 C SER A 52 9.403 -9.343 -3.324 1.00 0.92 C ATOM 776 O SER A 52 8.647 -10.157 -2.791 1.00 1.19 O ATOM 777 CB SER A 52 9.647 -10.420 -5.561 1.00 1.25 C ATOM 778 OG SER A 52 10.550 -10.772 -6.597 1.00 2.03 O ATOM 0 H SER A 52 10.932 -11.517 -3.349 1.00 1.19 H new ATOM 0 HA SER A 52 10.936 -8.908 -4.751 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.114 -11.307 -5.219 1.00 1.25 H new ATOM 0 HB3 SER A 52 8.899 -9.726 -5.943 1.00 1.25 H new ATOM 0 HG SER A 52 10.851 -9.961 -7.058 1.00 2.03 H new ATOM 784 N ASN A 53 9.410 -8.052 -3.013 1.00 0.68 N ATOM 785 CA ASN A 53 8.513 -7.500 -2.010 1.00 0.61 C ATOM 786 C ASN A 53 7.069 -7.594 -2.479 1.00 0.59 C ATOM 787 O ASN A 53 6.794 -7.996 -3.611 1.00 0.99 O ATOM 788 CB ASN A 53 8.872 -6.043 -1.731 1.00 0.60 C ATOM 789 CG ASN A 53 10.364 -5.910 -1.455 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.195 -6.300 -2.275 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.705 -5.354 -0.297 1.00 1.28 N ATOM 0 H ASN A 53 10.031 -7.367 -3.444 1.00 0.68 H new ATOM 0 HA ASN A 53 8.623 -8.078 -1.092 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.596 -5.424 -2.585 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.303 -5.678 -0.876 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.690 -5.236 -0.058 1.00 1.28 H new ATOM 0 HD22 ASN A 53 9.982 -5.045 0.353 1.00 1.28 H new ATOM 798 N LEU A 54 6.152 -7.221 -1.600 1.00 0.55 N ATOM 799 CA LEU A 54 4.728 -7.258 -1.907 1.00 0.51 C ATOM 800 C LEU A 54 3.940 -6.543 -0.819 1.00 0.44 C ATOM 801 O LEU A 54 3.624 -7.127 0.218 1.00 0.57 O ATOM 802 CB LEU A 54 4.262 -8.707 -2.026 1.00 0.65 C ATOM 803 CG LEU A 54 2.758 -8.800 -2.270 1.00 0.82 C ATOM 804 CD1 LEU A 54 2.460 -9.721 -3.449 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.037 -9.279 -1.014 1.00 1.49 C ATOM 0 H LEU A 54 6.369 -6.887 -0.661 1.00 0.55 H new ATOM 0 HA LEU A 54 4.555 -6.750 -2.856 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.794 -9.194 -2.843 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.516 -9.247 -1.114 1.00 0.65 H new ATOM 0 HG LEU A 54 2.389 -7.804 -2.515 1.00 0.82 H new ATOM 0 HD11 LEU A 54 1.383 -9.774 -3.606 1.00 1.49 H new ATOM 0 HD12 LEU A 54 2.939 -9.330 -4.347 1.00 1.49 H new ATOM 0 HD13 LEU A 54 2.845 -10.719 -3.238 1.00 1.49 H new ATOM 0 HD21 LEU A 54 0.966 -9.338 -1.209 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.410 -10.264 -0.734 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.219 -8.577 -0.200 1.00 1.49 H new ATOM 817 N ILE A 55 3.627 -5.272 -1.057 1.00 0.31 N ATOM 818 CA ILE A 55 2.879 -4.478 -0.089 1.00 0.26 C ATOM 819 C ILE A 55 1.449 -4.988 0.029 1.00 0.27 C ATOM 820 O ILE A 55 0.865 -5.459 -0.947 1.00 0.34 O ATOM 821 CB ILE A 55 2.880 -3.008 -0.500 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.298 -2.537 -0.820 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.265 -2.141 0.593 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.336 -1.048 -1.151 1.00 0.35 C ATOM 0 H ILE A 55 3.879 -4.772 -1.909 1.00 0.31 H new ATOM 0 HA ILE A 55 3.363 -4.573 0.883 1.00 0.26 H new ATOM 0 HB ILE A 55 2.273 -2.908 -1.400 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.949 -2.737 0.031 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.690 -3.107 -1.662 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.276 -1.097 0.279 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.237 -2.455 0.771 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.842 -2.250 1.511 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.361 -0.751 -1.373 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.705 -0.852 -2.018 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.969 -0.476 -0.299 1.00 0.35 H new ATOM 836 N ARG A 56 0.891 -4.899 1.233 1.00 0.29 N ATOM 837 CA ARG A 56 -0.470 -5.359 1.482 1.00 0.32 C ATOM 838 C ARG A 56 -1.423 -4.179 1.624 1.00 0.29 C ATOM 839 O ARG A 56 -1.361 -3.429 2.598 1.00 0.42 O ATOM 840 CB ARG A 56 -0.510 -6.209 2.749 1.00 0.42 C ATOM 841 CG ARG A 56 0.284 -7.502 2.583 1.00 0.55 C ATOM 842 CD ARG A 56 1.399 -7.613 3.620 1.00 0.84 C ATOM 843 NE ARG A 56 0.852 -7.505 4.969 1.00 1.44 N ATOM 844 CZ ARG A 56 1.443 -8.086 6.008 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.720 -8.434 5.937 1.00 2.19 N ATOM 846 NH2 ARG A 56 0.756 -8.321 7.118 1.00 2.33 N ATOM 0 H ARG A 56 1.361 -4.512 2.051 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.788 -5.962 0.631 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.105 -5.637 3.584 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.545 -6.446 2.996 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.387 -8.356 2.676 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.712 -7.541 1.581 1.00 0.55 H new ATOM 0 HD2 ARG A 56 1.917 -8.565 3.506 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.137 -6.827 3.456 1.00 0.84 H new ATOM 0 HE ARG A 56 -0.004 -6.971 5.118 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.250 -8.256 5.084 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.172 -8.880 6.735 1.00 2.19 H new ATOM 0 HH21 ARG A 56 -0.227 -8.056 7.175 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.211 -8.767 7.915 1.00 2.33 H new ATOM 860 N ILE A 57 -2.312 -4.028 0.649 1.00 0.24 N ATOM 861 CA ILE A 57 -3.292 -2.946 0.661 1.00 0.24 C ATOM 862 C ILE A 57 -4.689 -3.523 0.841 1.00 0.26 C ATOM 863 O ILE A 57 -5.092 -4.422 0.105 1.00 0.40 O ATOM 864 CB ILE A 57 -3.231 -2.144 -0.642 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.796 -2.009 -1.147 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.856 -0.765 -0.454 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.313 -3.289 -1.823 1.00 1.32 C ATOM 0 H ILE A 57 -2.375 -4.643 -0.163 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.061 -2.278 1.491 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.802 -2.690 -1.392 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.735 -1.180 -1.852 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.138 -1.767 -0.313 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.803 -0.211 -1.391 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.899 -0.876 -0.156 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.313 -0.222 0.320 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.288 -3.153 -2.169 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.350 -4.113 -1.110 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.956 -3.516 -2.673 1.00 1.32 H new ATOM 879 N GLU A 58 -5.424 -3.018 1.825 1.00 0.23 N ATOM 880 CA GLU A 58 -6.772 -3.509 2.090 1.00 0.25 C ATOM 881 C GLU A 58 -7.694 -2.382 2.534 1.00 0.24 C ATOM 882 O GLU A 58 -7.316 -1.525 3.332 1.00 0.26 O ATOM 883 CB GLU A 58 -6.721 -4.593 3.165 1.00 0.32 C ATOM 884 CG GLU A 58 -8.110 -5.123 3.510 1.00 0.37 C ATOM 885 CD GLU A 58 -8.214 -5.402 5.004 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.812 -4.529 5.801 1.00 1.56 O ATOM 887 OE2 GLU A 58 -8.697 -6.492 5.375 1.00 1.47 O ATOM 0 H GLU A 58 -5.112 -2.274 2.449 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.171 -3.926 1.166 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.094 -5.416 2.821 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.253 -4.191 4.064 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.867 -4.397 3.215 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.308 -6.036 2.948 1.00 0.37 H new ATOM 894 N GLY A 59 -8.913 -2.407 2.009 1.00 0.25 N ATOM 895 CA GLY A 59 -9.923 -1.409 2.332 1.00 0.27 C ATOM 896 C GLY A 59 -11.309 -2.009 2.155 1.00 0.39 C ATOM 897 O GLY A 59 -11.665 -2.975 2.829 1.00 0.59 O ATOM 0 H GLY A 59 -9.228 -3.118 1.349 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.793 -1.065 3.358 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.808 -0.538 1.687 1.00 0.27 H new ATOM 901 N ASP A 60 -12.085 -1.452 1.233 1.00 0.53 N ATOM 902 CA ASP A 60 -13.421 -1.964 0.967 1.00 0.70 C ATOM 903 C ASP A 60 -13.972 -1.407 -0.338 1.00 0.59 C ATOM 904 O ASP A 60 -14.181 -2.150 -1.296 1.00 1.04 O ATOM 905 CB ASP A 60 -14.361 -1.628 2.122 1.00 1.22 C ATOM 906 CG ASP A 60 -14.776 -2.897 2.852 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.050 -3.911 2.175 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.830 -2.877 4.100 1.00 2.66 O ATOM 0 H ASP A 60 -11.814 -0.652 0.662 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.352 -3.048 0.872 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.867 -0.947 2.815 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.244 -1.113 1.743 1.00 1.22 H new ATOM 913 N PRO A 61 -14.212 -0.089 -0.401 1.00 0.72 N ATOM 914 CA PRO A 61 -14.738 0.545 -1.613 1.00 1.14 C ATOM 915 C PRO A 61 -13.684 0.617 -2.707 1.00 0.88 C ATOM 916 O PRO A 61 -12.643 -0.033 -2.622 1.00 1.22 O ATOM 917 CB PRO A 61 -15.141 1.940 -1.142 1.00 1.82 C ATOM 918 CG PRO A 61 -14.286 2.211 0.050 1.00 1.82 C ATOM 919 CD PRO A 61 -13.987 0.881 0.686 1.00 1.17 C ATOM 0 HA PRO A 61 -15.567 -0.011 -2.051 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.976 2.683 -1.923 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.199 1.979 -0.885 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.365 2.715 -0.242 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.800 2.868 0.752 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.963 0.836 1.056 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.642 0.688 1.536 1.00 1.17 H new ATOM 927 N GLN A 62 -13.950 1.421 -3.730 1.00 0.64 N ATOM 928 CA GLN A 62 -13.012 1.585 -4.831 1.00 0.47 C ATOM 929 C GLN A 62 -11.716 2.234 -4.343 1.00 0.41 C ATOM 930 O GLN A 62 -10.711 2.236 -5.051 1.00 0.47 O ATOM 931 CB GLN A 62 -13.641 2.443 -5.926 1.00 0.69 C ATOM 932 CG GLN A 62 -14.542 1.616 -6.840 1.00 0.85 C ATOM 933 CD GLN A 62 -15.921 2.257 -6.963 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.187 3.307 -6.377 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.801 1.623 -7.729 1.00 1.73 N ATOM 0 H GLN A 62 -14.806 1.968 -3.819 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.776 0.600 -5.235 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.221 3.246 -5.472 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.855 2.913 -6.517 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.086 1.530 -7.826 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.640 0.605 -6.445 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.538 0.755 -8.196 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.739 2.004 -7.850 1.00 1.73 H new ATOM 944 N GLY A 63 -11.744 2.790 -3.133 1.00 0.37 N ATOM 945 CA GLY A 63 -10.575 3.445 -2.563 1.00 0.34 C ATOM 946 C GLY A 63 -9.400 2.482 -2.416 1.00 0.27 C ATOM 947 O GLY A 63 -8.250 2.869 -2.620 1.00 0.29 O ATOM 0 H GLY A 63 -12.567 2.798 -2.530 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.282 4.282 -3.197 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.830 3.859 -1.587 1.00 0.34 H new ATOM 951 N VAL A 64 -9.682 1.232 -2.052 1.00 0.24 N ATOM 952 CA VAL A 64 -8.619 0.247 -1.871 1.00 0.21 C ATOM 953 C VAL A 64 -7.961 -0.105 -3.205 1.00 0.24 C ATOM 954 O VAL A 64 -6.751 -0.319 -3.265 1.00 0.28 O ATOM 955 CB VAL A 64 -9.144 -1.015 -1.167 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.908 -1.938 -2.111 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.983 -1.766 -0.526 1.00 0.26 C ATOM 0 H VAL A 64 -10.624 0.881 -1.879 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.859 0.695 -1.230 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.848 -0.691 -0.400 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.256 -2.813 -1.562 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.764 -1.406 -2.526 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.251 -2.256 -2.920 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.359 -2.660 -0.028 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.266 -2.053 -1.295 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.493 -1.123 0.204 1.00 0.26 H new ATOM 967 N GLN A 65 -8.753 -0.160 -4.273 1.00 0.25 N ATOM 968 CA GLN A 65 -8.218 -0.484 -5.591 1.00 0.30 C ATOM 969 C GLN A 65 -7.575 0.751 -6.219 1.00 0.30 C ATOM 970 O GLN A 65 -6.639 0.640 -7.013 1.00 0.34 O ATOM 971 CB GLN A 65 -9.320 -1.054 -6.494 1.00 0.37 C ATOM 972 CG GLN A 65 -10.244 0.025 -7.059 1.00 0.42 C ATOM 973 CD GLN A 65 -10.132 0.072 -8.576 1.00 0.78 C ATOM 974 OE1 GLN A 65 -9.141 -0.378 -9.152 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.152 0.618 -9.229 1.00 0.82 N ATOM 0 H GLN A 65 -9.758 0.014 -4.252 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.449 -1.248 -5.480 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -8.861 -1.600 -7.318 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.912 -1.772 -5.927 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.275 -0.181 -6.769 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -9.982 0.995 -6.638 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.954 0.979 -8.712 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.133 0.676 -10.247 1.00 0.82 H new ATOM 984 N GLN A 66 -8.075 1.926 -5.849 1.00 0.29 N ATOM 985 CA GLN A 66 -7.546 3.182 -6.366 1.00 0.31 C ATOM 986 C GLN A 66 -6.223 3.505 -5.687 1.00 0.29 C ATOM 987 O GLN A 66 -5.248 3.867 -6.346 1.00 0.36 O ATOM 988 CB GLN A 66 -8.544 4.310 -6.130 1.00 0.35 C ATOM 989 CG GLN A 66 -8.913 5.015 -7.433 1.00 0.79 C ATOM 990 CD GLN A 66 -9.953 4.206 -8.196 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.829 2.990 -8.337 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.983 4.884 -8.692 1.00 1.31 N ATOM 0 H GLN A 66 -8.847 2.034 -5.192 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.380 3.080 -7.438 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.444 3.909 -5.665 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.120 5.032 -5.432 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.303 6.010 -7.218 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -8.023 5.147 -8.048 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.045 5.892 -8.551 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.711 4.396 -9.214 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.192 3.359 -4.366 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.983 3.621 -3.596 1.00 0.27 C ATOM 1003 C ALA A 67 -3.922 2.587 -3.944 1.00 0.26 C ATOM 1004 O ALA A 67 -2.741 2.910 -4.069 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.290 3.570 -2.102 1.00 0.29 C ATOM 0 H ALA A 67 -6.991 3.060 -3.807 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.611 4.615 -3.843 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.379 3.767 -1.536 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -6.039 4.324 -1.858 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.672 2.583 -1.842 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.359 1.343 -4.113 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.457 0.255 -4.464 1.00 0.28 C ATOM 1013 C LYS A 68 -2.714 0.599 -5.746 1.00 0.31 C ATOM 1014 O LYS A 68 -1.494 0.459 -5.828 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.249 -1.038 -4.645 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.366 -2.181 -5.142 1.00 0.37 C ATOM 1017 CD LYS A 68 -3.911 -2.791 -6.430 1.00 0.43 C ATOM 1018 CE LYS A 68 -2.854 -3.619 -7.152 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.322 -4.036 -8.503 1.00 0.88 N ATOM 0 H LYS A 68 -5.335 1.064 -4.012 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.733 0.114 -3.661 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.707 -1.319 -3.697 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.060 -0.871 -5.354 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.354 -1.813 -5.313 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.299 -2.951 -4.373 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.771 -3.420 -6.200 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.264 -1.997 -7.088 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -1.936 -3.039 -7.246 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.614 -4.502 -6.560 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -2.581 -4.598 -8.969 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.184 -4.610 -8.410 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.528 -3.192 -9.075 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.461 1.066 -6.742 1.00 0.36 N ATOM 1034 CA ARG A 69 -2.880 1.450 -8.021 1.00 0.43 C ATOM 1035 C ARG A 69 -2.092 2.742 -7.862 1.00 0.42 C ATOM 1036 O ARG A 69 -0.997 2.888 -8.405 1.00 0.46 O ATOM 1037 CB ARG A 69 -3.984 1.640 -9.058 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.771 0.750 -10.278 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.853 0.977 -11.330 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.809 -0.075 -12.338 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.009 -1.350 -12.025 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.242 -1.832 -11.952 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -3.977 -2.145 -11.784 1.00 2.98 N ATOM 0 H ARG A 69 -4.472 1.187 -6.686 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.208 0.661 -8.358 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.950 1.414 -8.607 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.015 2.684 -9.370 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.792 0.953 -10.712 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.773 -0.296 -9.972 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.834 0.993 -10.855 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.712 1.949 -11.803 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.620 0.175 -13.309 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.039 -1.223 -12.136 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.393 -2.812 -11.711 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -3.027 -1.778 -11.839 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -4.133 -3.124 -11.544 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.660 3.675 -7.105 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.025 4.964 -6.856 1.00 0.43 C ATOM 1059 C GLU A 70 -0.700 4.783 -6.120 1.00 0.44 C ATOM 1060 O GLU A 70 0.151 5.671 -6.134 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.958 5.844 -6.030 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.312 7.180 -5.675 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.718 8.250 -6.681 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.373 7.904 -7.686 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -2.377 9.431 -6.463 1.00 1.50 O ATOM 0 H GLU A 70 -3.566 3.561 -6.650 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.824 5.442 -7.815 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.878 6.022 -6.587 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.236 5.320 -5.115 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.613 7.482 -4.672 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.227 7.075 -5.664 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.529 3.629 -5.479 1.00 0.40 N ATOM 1073 CA LEU A 71 0.680 3.333 -4.743 1.00 0.47 C ATOM 1074 C LEU A 71 1.720 2.761 -5.701 1.00 0.52 C ATOM 1075 O LEU A 71 2.829 3.279 -5.825 1.00 0.60 O ATOM 1076 CB LEU A 71 0.306 2.358 -3.607 1.00 0.51 C ATOM 1077 CG LEU A 71 1.222 1.144 -3.476 1.00 0.78 C ATOM 1078 CD1 LEU A 71 2.668 1.567 -3.227 1.00 1.15 C ATOM 1079 CD2 LEU A 71 0.733 0.219 -2.366 1.00 1.08 C ATOM 0 H LEU A 71 -1.224 2.883 -5.460 1.00 0.40 H new ATOM 0 HA LEU A 71 1.121 4.225 -4.297 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.312 2.903 -2.663 1.00 0.51 H new ATOM 0 HB3 LEU A 71 -0.714 2.010 -3.768 1.00 0.51 H new ATOM 0 HG LEU A 71 1.191 0.598 -4.419 1.00 0.78 H new ATOM 0 HD11 LEU A 71 3.296 0.681 -3.138 1.00 1.15 H new ATOM 0 HD12 LEU A 71 3.017 2.177 -4.060 1.00 1.15 H new ATOM 0 HD13 LEU A 71 2.724 2.146 -2.305 1.00 1.15 H new ATOM 0 HD21 LEU A 71 1.399 -0.640 -2.289 1.00 1.08 H new ATOM 0 HD22 LEU A 71 0.726 0.759 -1.419 1.00 1.08 H new ATOM 0 HD23 LEU A 71 -0.276 -0.124 -2.596 1.00 1.08 H new ATOM 1091 N LEU A 72 1.345 1.687 -6.369 1.00 0.52 N ATOM 1092 CA LEU A 72 2.230 1.029 -7.318 1.00 0.63 C ATOM 1093 C LEU A 72 2.651 1.994 -8.422 1.00 0.67 C ATOM 1094 O LEU A 72 3.730 1.861 -9.000 1.00 0.83 O ATOM 1095 CB LEU A 72 1.525 -0.180 -7.928 1.00 0.66 C ATOM 1096 CG LEU A 72 2.515 -1.256 -8.363 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.777 -2.517 -8.804 1.00 1.04 C ATOM 1098 CD2 LEU A 72 3.415 -0.742 -9.482 1.00 1.99 C ATOM 0 H LEU A 72 0.429 1.248 -6.273 1.00 0.52 H new ATOM 0 HA LEU A 72 3.124 0.699 -6.788 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.829 -0.599 -7.201 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.935 0.139 -8.787 1.00 0.66 H new ATOM 0 HG LEU A 72 3.144 -1.506 -7.508 1.00 0.88 H new ATOM 0 HD11 LEU A 72 2.500 -3.273 -9.111 1.00 1.04 H new ATOM 0 HD12 LEU A 72 1.182 -2.899 -7.975 1.00 1.04 H new ATOM 0 HD13 LEU A 72 1.122 -2.281 -9.642 1.00 1.04 H new ATOM 0 HD21 LEU A 72 4.113 -1.526 -9.777 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.804 -0.459 -10.339 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.972 0.127 -9.131 1.00 1.99 H new ATOM 1110 N GLU A 73 1.789 2.961 -8.719 1.00 0.64 N ATOM 1111 CA GLU A 73 2.065 3.939 -9.765 1.00 0.74 C ATOM 1112 C GLU A 73 2.958 5.068 -9.260 1.00 0.71 C ATOM 1113 O GLU A 73 4.078 5.242 -9.739 1.00 0.88 O ATOM 1114 CB GLU A 73 0.755 4.517 -10.289 1.00 0.82 C ATOM 1115 CG GLU A 73 0.242 3.741 -11.498 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.311 4.698 -12.545 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.496 5.349 -13.242 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.550 4.797 -12.667 1.00 2.05 O ATOM 0 H GLU A 73 0.892 3.088 -8.249 1.00 0.64 H new ATOM 0 HA GLU A 73 2.593 3.427 -10.569 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.005 4.496 -9.498 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.901 5.562 -10.562 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.050 3.149 -11.928 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.535 3.043 -11.187 1.00 1.00 H new ATOM 1125 N LEU A 74 2.451 5.850 -8.311 1.00 0.64 N ATOM 1126 CA LEU A 74 3.204 6.978 -7.771 1.00 0.71 C ATOM 1127 C LEU A 74 3.784 6.662 -6.397 1.00 0.82 C ATOM 1128 O LEU A 74 4.885 7.104 -6.066 1.00 1.13 O ATOM 1129 CB LEU A 74 2.300 8.203 -7.679 1.00 0.85 C ATOM 1130 CG LEU A 74 1.501 8.406 -8.965 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.603 9.634 -8.856 1.00 1.19 C ATOM 1132 CD2 LEU A 74 2.434 8.526 -10.166 1.00 1.32 C ATOM 0 H LEU A 74 1.525 5.724 -7.901 1.00 0.64 H new ATOM 0 HA LEU A 74 4.035 7.180 -8.447 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.616 8.089 -6.838 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.904 9.088 -7.481 1.00 0.85 H new ATOM 0 HG LEU A 74 0.866 7.532 -9.112 1.00 0.99 H new ATOM 0 HD11 LEU A 74 0.044 9.759 -9.783 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.093 9.504 -8.027 1.00 1.19 H new ATOM 0 HD13 LEU A 74 1.216 10.518 -8.680 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.845 8.670 -11.072 1.00 1.32 H new ATOM 0 HD22 LEU A 74 3.099 9.378 -10.026 1.00 1.32 H new ATOM 0 HD23 LEU A 74 3.026 7.615 -10.259 1.00 1.32 H new ATOM 1144 N ALA A 75 3.044 5.904 -5.596 1.00 0.78 N ATOM 1145 CA ALA A 75 3.498 5.545 -4.257 1.00 0.99 C ATOM 1146 C ALA A 75 3.903 6.792 -3.479 1.00 1.70 C ATOM 1147 O ALA A 75 4.785 6.742 -2.623 1.00 2.16 O ATOM 1148 CB ALA A 75 4.678 4.583 -4.347 1.00 1.14 C ATOM 0 H ALA A 75 2.130 5.527 -5.849 1.00 0.78 H new ATOM 0 HA ALA A 75 2.677 5.057 -3.731 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.011 4.320 -3.343 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.372 3.680 -4.876 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.496 5.060 -4.887 1.00 1.14 H new