USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 943 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 80 THR OG1 : rot 180:sc= 1.08 USER MOD Set 1.2: A 83 SER OG : rot 63:sc= 1.24 USER MOD Set 2.1: A 21 ASN : amide:sc= 0.768 K(o=0.74,f=-6.1!) USER MOD Set 2.2: A 22 ASN : amide:sc= -0.0208 K(o=0.74,f=-2.6!) USER MOD Set 2.3: A 23 THR OG1 : rot 180:sc=-0.00277 USER MOD Single : A 5 MET CE :methyl 161:sc= -2.02 (180deg=-3.65!) USER MOD Single : A 7 MET CE :methyl 138:sc= -0.469 (180deg=-2.58!) USER MOD Single : A 10 TYR OH : rot 30:sc= -0.435 USER MOD Single : A 15 SER OG : rot 40:sc= -1.21 USER MOD Single : A 17 LYS NZ :NH3+ 143:sc= -1.47 (180deg=-3.56!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= 0.724 (180deg=0.303) USER MOD Single : A 24 THR OG1 : rot 30:sc= 0.855 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 150:sc= -0.0926 USER MOD Single : A 41 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.53) USER MOD Single : A 44 TYR OH : rot 173:sc= -1.12 USER MOD Single : A 45 THR OG1 : rot 45:sc= 0.246 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 49 SER OG : rot -26:sc= 0.209 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0.179 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -120:sc= -0.0918 USER MOD Single : A 68 SER OG : rot -31:sc= 0.144 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -0.0246 (180deg=-0.285) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= 1.25 (180deg=-0.502) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.608 K(o=-0.61,f=-0.0042) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 98 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.64) USER MOD Single : A 99 CYS SG : rot 36:sc= -3.58! USER MOD Single : A 101 ASN : amide:sc=-0.00402 K(o=-0.004,f=-0.7) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 63:sc= -2.77! USER MOD Single : A 117 SER OG : rot -175:sc= -0.511 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 4 -10.181 12.250 5.352 1.00 0.78 N ATOM 38 CA ALA A 4 -9.306 11.281 4.726 1.00 0.62 C ATOM 39 C ALA A 4 -9.595 9.904 5.305 1.00 0.57 C ATOM 40 O ALA A 4 -9.365 9.660 6.490 1.00 0.79 O ATOM 41 CB ALA A 4 -7.852 11.673 4.936 1.00 0.73 C ATOM 0 HA ALA A 4 -9.489 11.256 3.652 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -7.204 10.936 4.461 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -7.672 12.653 4.495 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -7.636 11.711 6.004 1.00 0.73 H new ATOM 47 N MET A 5 -10.125 9.019 4.476 1.00 0.40 N ATOM 48 CA MET A 5 -10.569 7.710 4.932 1.00 0.39 C ATOM 49 C MET A 5 -9.451 6.687 4.869 1.00 0.36 C ATOM 50 O MET A 5 -8.892 6.445 3.805 1.00 0.38 O ATOM 51 CB MET A 5 -11.741 7.214 4.079 1.00 0.41 C ATOM 52 CG MET A 5 -13.057 7.911 4.367 1.00 0.47 C ATOM 53 SD MET A 5 -14.453 7.120 3.544 1.00 0.54 S ATOM 54 CE MET A 5 -14.373 5.480 4.260 1.00 1.31 C ATOM 0 H MET A 5 -10.259 9.184 3.478 1.00 0.40 H new ATOM 0 HA MET A 5 -10.884 7.823 5.969 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.493 7.350 3.026 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.866 6.143 4.241 1.00 0.41 H new ATOM 0 HG2 MET A 5 -13.232 7.920 5.443 1.00 0.47 H new ATOM 0 HG3 MET A 5 -12.992 8.951 4.046 1.00 0.47 H new ATOM 0 HE1 MET A 5 -15.332 4.979 4.129 1.00 1.31 H new ATOM 0 HE2 MET A 5 -13.592 4.904 3.764 1.00 1.31 H new ATOM 0 HE3 MET A 5 -14.146 5.558 5.323 1.00 1.31 H new ATOM 64 N PRO A 6 -9.112 6.060 6.003 1.00 0.38 N ATOM 65 CA PRO A 6 -8.198 4.923 6.005 1.00 0.37 C ATOM 66 C PRO A 6 -8.697 3.873 5.024 1.00 0.32 C ATOM 67 O PRO A 6 -9.824 3.395 5.142 1.00 0.30 O ATOM 68 CB PRO A 6 -8.265 4.405 7.445 1.00 0.47 C ATOM 69 CG PRO A 6 -8.711 5.576 8.255 1.00 0.53 C ATOM 70 CD PRO A 6 -9.592 6.399 7.353 1.00 0.49 C ATOM 0 HA PRO A 6 -7.181 5.177 5.706 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -8.965 3.574 7.534 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -7.294 4.041 7.779 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -9.256 5.251 9.141 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -7.857 6.158 8.602 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -10.645 6.146 7.480 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.493 7.465 7.559 1.00 0.49 H new ATOM 78 N MET A 7 -7.869 3.543 4.040 1.00 0.31 N ATOM 79 CA MET A 7 -8.305 2.714 2.918 1.00 0.28 C ATOM 80 C MET A 7 -8.826 1.355 3.363 1.00 0.27 C ATOM 81 O MET A 7 -9.676 0.773 2.697 1.00 0.29 O ATOM 82 CB MET A 7 -7.190 2.524 1.905 1.00 0.30 C ATOM 83 CG MET A 7 -6.836 3.775 1.125 1.00 0.33 C ATOM 84 SD MET A 7 -6.034 3.391 -0.440 1.00 1.17 S ATOM 85 CE MET A 7 -7.342 2.482 -1.259 1.00 0.48 C ATOM 0 H MET A 7 -6.893 3.835 3.994 1.00 0.31 H new ATOM 0 HA MET A 7 -9.129 3.252 2.449 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.300 2.170 2.424 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.482 1.743 1.203 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.741 4.353 0.936 1.00 0.33 H new ATOM 0 HG3 MET A 7 -6.177 4.402 1.726 1.00 0.33 H new ATOM 0 HE1 MET A 7 -7.400 2.789 -2.303 1.00 0.48 H new ATOM 0 HE2 MET A 7 -7.131 1.414 -1.206 1.00 0.48 H new ATOM 0 HE3 MET A 7 -8.292 2.689 -0.767 1.00 0.48 H new ATOM 95 N ILE A 8 -8.316 0.847 4.475 1.00 0.26 N ATOM 96 CA ILE A 8 -8.826 -0.397 5.028 1.00 0.25 C ATOM 97 C ILE A 8 -10.286 -0.223 5.444 1.00 0.24 C ATOM 98 O ILE A 8 -11.139 -1.038 5.097 1.00 0.26 O ATOM 99 CB ILE A 8 -7.978 -0.879 6.225 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.551 -1.202 5.764 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.613 -2.090 6.896 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.479 -2.258 4.677 1.00 0.27 C ATOM 0 H ILE A 8 -7.557 1.272 5.007 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.762 -1.161 4.253 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.936 -0.076 6.961 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -6.082 -0.288 5.400 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.970 -1.539 6.623 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.994 -2.407 7.735 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.607 -1.826 7.258 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.693 -2.904 6.176 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.438 -2.430 4.405 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -6.917 -3.187 5.042 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -7.031 -1.917 3.801 1.00 0.27 H new ATOM 114 N GLU A 9 -10.567 0.872 6.151 1.00 0.26 N ATOM 115 CA GLU A 9 -11.932 1.204 6.551 1.00 0.28 C ATOM 116 C GLU A 9 -12.805 1.415 5.321 1.00 0.26 C ATOM 117 O GLU A 9 -13.974 1.027 5.296 1.00 0.28 O ATOM 118 CB GLU A 9 -11.954 2.473 7.412 1.00 0.32 C ATOM 119 CG GLU A 9 -13.350 2.854 7.881 1.00 0.40 C ATOM 120 CD GLU A 9 -13.424 4.248 8.466 1.00 0.87 C ATOM 121 OE1 GLU A 9 -13.101 4.414 9.662 1.00 1.01 O ATOM 122 OE2 GLU A 9 -13.829 5.181 7.739 1.00 1.62 O ATOM 0 H GLU A 9 -9.865 1.545 6.458 1.00 0.26 H new ATOM 0 HA GLU A 9 -12.323 0.372 7.137 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -11.313 2.326 8.281 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -11.531 3.299 6.841 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -14.040 2.783 7.041 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.683 2.135 8.629 1.00 0.40 H new ATOM 129 N TYR A 10 -12.224 2.038 4.299 1.00 0.28 N ATOM 130 CA TYR A 10 -12.921 2.277 3.043 1.00 0.29 C ATOM 131 C TYR A 10 -13.429 0.951 2.474 1.00 0.28 C ATOM 132 O TYR A 10 -14.589 0.828 2.079 1.00 0.31 O ATOM 133 CB TYR A 10 -11.987 2.962 2.036 1.00 0.31 C ATOM 134 CG TYR A 10 -12.696 3.526 0.824 1.00 0.39 C ATOM 135 CD1 TYR A 10 -13.219 4.815 0.831 1.00 0.50 C ATOM 136 CD2 TYR A 10 -12.841 2.767 -0.331 1.00 0.47 C ATOM 137 CE1 TYR A 10 -13.861 5.329 -0.279 1.00 0.59 C ATOM 138 CE2 TYR A 10 -13.484 3.274 -1.444 1.00 0.57 C ATOM 139 CZ TYR A 10 -14.008 4.575 -1.395 1.00 0.60 C ATOM 140 OH TYR A 10 -14.628 5.062 -2.524 1.00 0.71 O ATOM 0 H TYR A 10 -11.266 2.388 4.319 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.770 2.934 3.229 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.454 3.768 2.540 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.238 2.243 1.704 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -13.122 5.423 1.718 1.00 0.50 H new ATOM 0 HD2 TYR A 10 -12.444 1.763 -0.359 1.00 0.47 H new ATOM 0 HE1 TYR A 10 -14.248 6.337 -0.257 1.00 0.59 H new ATOM 0 HE2 TYR A 10 -13.582 2.678 -2.339 1.00 0.57 H new ATOM 0 HH TYR A 10 -14.491 6.031 -2.580 1.00 0.71 H new ATOM 150 N LEU A 11 -12.553 -0.049 2.459 1.00 0.27 N ATOM 151 CA LEU A 11 -12.905 -1.369 1.949 1.00 0.28 C ATOM 152 C LEU A 11 -13.903 -2.075 2.861 1.00 0.28 C ATOM 153 O LEU A 11 -14.794 -2.779 2.384 1.00 0.31 O ATOM 154 CB LEU A 11 -11.655 -2.232 1.757 1.00 0.32 C ATOM 155 CG LEU A 11 -10.984 -2.115 0.382 1.00 0.55 C ATOM 156 CD1 LEU A 11 -10.579 -0.677 0.093 1.00 1.14 C ATOM 157 CD2 LEU A 11 -9.773 -3.034 0.299 1.00 1.24 C ATOM 0 H LEU A 11 -11.593 0.030 2.795 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.381 -1.226 0.979 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -10.927 -1.964 2.523 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -11.924 -3.275 1.924 1.00 0.32 H new ATOM 0 HG LEU A 11 -11.707 -2.422 -0.373 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -10.106 -0.622 -0.887 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -11.464 -0.040 0.105 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -9.877 -0.337 0.854 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -9.310 -2.938 -0.683 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -9.053 -2.757 1.069 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -10.088 -4.066 0.452 1.00 1.24 H new ATOM 169 N GLU A 12 -13.759 -1.883 4.166 1.00 0.29 N ATOM 170 CA GLU A 12 -14.708 -2.443 5.122 1.00 0.34 C ATOM 171 C GLU A 12 -16.119 -1.951 4.821 1.00 0.39 C ATOM 172 O GLU A 12 -17.053 -2.740 4.701 1.00 0.43 O ATOM 173 CB GLU A 12 -14.333 -2.057 6.555 1.00 0.40 C ATOM 174 CG GLU A 12 -12.979 -2.577 6.994 1.00 0.39 C ATOM 175 CD GLU A 12 -12.689 -2.307 8.455 1.00 0.81 C ATOM 176 OE1 GLU A 12 -12.334 -1.157 8.791 1.00 1.50 O ATOM 177 OE2 GLU A 12 -12.813 -3.239 9.276 1.00 1.22 O ATOM 0 H GLU A 12 -12.999 -1.347 4.586 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.674 -3.528 5.028 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -14.340 -0.971 6.642 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -15.096 -2.437 7.235 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.931 -3.651 6.812 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -12.203 -2.115 6.384 1.00 0.39 H new ATOM 184 N ARG A 13 -16.246 -0.645 4.658 1.00 0.40 N ATOM 185 CA ARG A 13 -17.546 -0.005 4.504 1.00 0.47 C ATOM 186 C ARG A 13 -18.154 -0.237 3.125 1.00 0.45 C ATOM 187 O ARG A 13 -19.339 -0.545 3.014 1.00 0.55 O ATOM 188 CB ARG A 13 -17.413 1.494 4.763 1.00 0.55 C ATOM 189 CG ARG A 13 -16.948 1.813 6.169 1.00 0.80 C ATOM 190 CD ARG A 13 -16.529 3.267 6.310 1.00 0.71 C ATOM 191 NE ARG A 13 -17.587 4.200 5.913 1.00 0.77 N ATOM 192 CZ ARG A 13 -17.556 5.511 6.160 1.00 0.92 C ATOM 193 NH1 ARG A 13 -16.540 6.046 6.833 1.00 1.19 N ATOM 194 NH2 ARG A 13 -18.542 6.287 5.725 1.00 1.10 N ATOM 0 H ARG A 13 -15.457 0.001 4.628 1.00 0.40 H new ATOM 0 HA ARG A 13 -18.219 -0.457 5.233 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -16.709 1.920 4.048 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -18.375 1.974 4.587 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -17.750 1.596 6.875 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -16.110 1.167 6.430 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -16.248 3.461 7.345 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -15.644 3.447 5.700 1.00 0.71 H new ATOM 0 HE ARG A 13 -18.396 3.825 5.418 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -15.779 5.453 7.163 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -16.523 7.049 7.018 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -19.319 5.880 5.204 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -18.522 7.290 5.912 1.00 1.10 H new ATOM 208 N PHE A 14 -17.353 -0.093 2.075 1.00 0.40 N ATOM 209 CA PHE A 14 -17.894 -0.093 0.718 1.00 0.42 C ATOM 210 C PHE A 14 -17.653 -1.404 -0.025 1.00 0.43 C ATOM 211 O PHE A 14 -18.418 -1.755 -0.924 1.00 0.55 O ATOM 212 CB PHE A 14 -17.298 1.061 -0.092 1.00 0.42 C ATOM 213 CG PHE A 14 -17.494 2.408 0.541 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.716 3.057 0.470 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.449 3.023 1.204 1.00 0.42 C ATOM 216 CE1 PHE A 14 -18.887 4.299 1.054 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.612 4.259 1.787 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.832 4.901 1.714 1.00 0.60 C ATOM 0 H PHE A 14 -16.341 0.024 2.133 1.00 0.40 H new ATOM 0 HA PHE A 14 -18.972 0.031 0.820 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.231 0.885 -0.227 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -17.748 1.067 -1.085 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.542 2.589 -0.046 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.492 2.527 1.265 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -19.843 4.798 0.995 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -15.786 4.727 2.302 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.962 5.871 2.171 1.00 0.60 H new ATOM 228 N SER A 15 -16.607 -2.134 0.334 1.00 0.39 N ATOM 229 CA SER A 15 -16.220 -3.297 -0.459 1.00 0.46 C ATOM 230 C SER A 15 -16.745 -4.603 0.141 1.00 0.49 C ATOM 231 O SER A 15 -17.394 -5.387 -0.552 1.00 0.59 O ATOM 232 CB SER A 15 -14.697 -3.355 -0.615 1.00 0.47 C ATOM 233 OG SER A 15 -14.309 -4.383 -1.510 1.00 1.46 O ATOM 0 H SER A 15 -16.022 -1.950 1.149 1.00 0.39 H new ATOM 0 HA SER A 15 -16.676 -3.185 -1.443 1.00 0.46 H new ATOM 0 HB2 SER A 15 -14.330 -2.395 -0.979 1.00 0.47 H new ATOM 0 HB3 SER A 15 -14.236 -3.524 0.358 1.00 0.47 H new ATOM 0 HG SER A 15 -14.932 -4.411 -2.266 1.00 1.46 H new ATOM 239 N LEU A 16 -16.479 -4.839 1.420 1.00 0.45 N ATOM 240 CA LEU A 16 -16.925 -6.072 2.063 1.00 0.51 C ATOM 241 C LEU A 16 -18.230 -5.868 2.818 1.00 0.57 C ATOM 242 O LEU A 16 -18.954 -6.825 3.092 1.00 0.67 O ATOM 243 CB LEU A 16 -15.860 -6.616 3.022 1.00 0.54 C ATOM 244 CG LEU A 16 -14.676 -7.324 2.361 1.00 0.57 C ATOM 245 CD1 LEU A 16 -13.633 -7.692 3.401 1.00 1.13 C ATOM 246 CD2 LEU A 16 -15.143 -8.574 1.625 1.00 1.33 C ATOM 0 H LEU A 16 -15.963 -4.202 2.028 1.00 0.45 H new ATOM 0 HA LEU A 16 -17.091 -6.799 1.268 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -15.478 -5.788 3.620 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -16.338 -7.312 3.711 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.228 -6.641 1.639 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -12.797 -8.195 2.915 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -13.276 -6.788 3.894 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -14.077 -8.358 4.141 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -14.287 -9.064 1.161 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -15.614 -9.258 2.331 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -15.863 -8.295 0.855 1.00 1.33 H new ATOM 258 N LYS A 17 -18.517 -4.608 3.149 1.00 0.56 N ATOM 259 CA LYS A 17 -19.707 -4.241 3.922 1.00 0.66 C ATOM 260 C LYS A 17 -19.640 -4.860 5.317 1.00 0.72 C ATOM 261 O LYS A 17 -20.662 -5.047 5.980 1.00 0.83 O ATOM 262 CB LYS A 17 -20.988 -4.684 3.204 1.00 0.75 C ATOM 263 CG LYS A 17 -21.125 -4.147 1.785 1.00 0.77 C ATOM 264 CD LYS A 17 -21.206 -2.626 1.736 1.00 1.12 C ATOM 265 CE LYS A 17 -22.586 -2.097 2.116 1.00 1.28 C ATOM 266 NZ LYS A 17 -22.917 -2.307 3.552 1.00 2.11 N ATOM 0 H LYS A 17 -17.933 -3.813 2.890 1.00 0.56 H new ATOM 0 HA LYS A 17 -19.731 -3.155 4.017 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -21.016 -5.773 3.173 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -21.849 -4.360 3.788 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -20.274 -4.481 1.191 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -22.019 -4.569 1.326 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -20.461 -2.205 2.411 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -20.955 -2.285 0.732 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -22.635 -1.032 1.890 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -23.339 -2.588 1.500 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -23.453 -1.490 3.908 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -23.491 -3.168 3.654 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -22.039 -2.410 4.099 1.00 2.11 H new ATOM 280 N ALA A 18 -18.422 -5.147 5.752 1.00 0.68 N ATOM 281 CA ALA A 18 -18.180 -5.822 7.017 1.00 0.75 C ATOM 282 C ALA A 18 -16.858 -5.346 7.610 1.00 0.72 C ATOM 283 O ALA A 18 -16.447 -4.214 7.370 1.00 0.96 O ATOM 284 CB ALA A 18 -18.175 -7.331 6.813 1.00 0.78 C ATOM 0 H ALA A 18 -17.572 -4.918 5.236 1.00 0.68 H new ATOM 0 HA ALA A 18 -18.980 -5.578 7.716 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -17.993 -7.826 7.767 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -19.140 -7.648 6.418 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -17.388 -7.600 6.108 1.00 0.78 H new ATOM 290 N LYS A 19 -16.197 -6.197 8.383 1.00 0.64 N ATOM 291 CA LYS A 19 -14.927 -5.841 8.995 1.00 0.62 C ATOM 292 C LYS A 19 -13.760 -6.574 8.340 1.00 0.55 C ATOM 293 O LYS A 19 -13.848 -7.762 8.023 1.00 0.61 O ATOM 294 CB LYS A 19 -14.955 -6.159 10.490 1.00 0.72 C ATOM 295 CG LYS A 19 -13.598 -6.013 11.158 1.00 0.76 C ATOM 296 CD LYS A 19 -13.619 -6.470 12.604 1.00 1.24 C ATOM 297 CE LYS A 19 -12.253 -6.974 13.040 1.00 2.05 C ATOM 298 NZ LYS A 19 -11.178 -5.972 12.809 1.00 2.59 N ATOM 0 H LYS A 19 -16.521 -7.139 8.600 1.00 0.64 H new ATOM 0 HA LYS A 19 -14.781 -4.771 8.848 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -15.668 -5.498 10.982 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -15.315 -7.178 10.632 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -12.859 -6.594 10.606 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -13.283 -4.971 11.113 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -13.926 -5.644 13.245 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -14.358 -7.261 12.728 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -12.285 -7.231 14.099 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -12.016 -7.889 12.497 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -10.371 -6.179 13.431 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -10.870 -6.016 11.817 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -11.540 -5.020 13.018 1.00 2.59 H new ATOM 312 N ILE A 20 -12.673 -5.842 8.146 1.00 0.48 N ATOM 313 CA ILE A 20 -11.413 -6.419 7.703 1.00 0.45 C ATOM 314 C ILE A 20 -10.728 -7.090 8.888 1.00 0.54 C ATOM 315 O ILE A 20 -10.618 -6.499 9.966 1.00 0.61 O ATOM 316 CB ILE A 20 -10.486 -5.334 7.109 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.971 -4.898 5.723 1.00 0.34 C ATOM 318 CG2 ILE A 20 -9.045 -5.821 7.035 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.899 -5.986 4.676 1.00 0.30 C ATOM 0 H ILE A 20 -12.640 -4.833 8.291 1.00 0.48 H new ATOM 0 HA ILE A 20 -11.617 -7.154 6.924 1.00 0.45 H new ATOM 0 HB ILE A 20 -10.521 -4.472 7.775 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -12.002 -4.552 5.802 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -10.374 -4.049 5.391 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -8.417 -5.036 6.613 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -8.693 -6.069 8.036 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.992 -6.707 6.402 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -11.260 -5.598 3.723 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.866 -6.317 4.566 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -11.519 -6.828 4.983 1.00 0.30 H new ATOM 331 N ASN A 21 -10.280 -8.319 8.706 1.00 0.59 N ATOM 332 CA ASN A 21 -9.703 -9.068 9.807 1.00 0.73 C ATOM 333 C ASN A 21 -8.404 -9.736 9.374 1.00 0.75 C ATOM 334 O ASN A 21 -8.005 -9.645 8.215 1.00 0.71 O ATOM 335 CB ASN A 21 -10.703 -10.116 10.305 1.00 0.83 C ATOM 336 CG ASN A 21 -10.588 -10.378 11.796 1.00 1.27 C ATOM 337 OD1 ASN A 21 -9.521 -10.218 12.391 1.00 1.96 O ATOM 338 ND2 ASN A 21 -11.688 -10.781 12.409 1.00 1.76 N ATOM 0 H ASN A 21 -10.304 -8.816 7.815 1.00 0.59 H new ATOM 0 HA ASN A 21 -9.478 -8.380 10.622 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -11.715 -9.783 10.076 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -10.545 -11.049 9.764 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -11.673 -10.972 13.411 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -12.552 -10.901 11.880 1.00 1.76 H new ATOM 345 N ASN A 22 -7.751 -10.413 10.304 1.00 0.88 N ATOM 346 CA ASN A 22 -6.512 -11.121 10.007 1.00 0.98 C ATOM 347 C ASN A 22 -6.802 -12.383 9.210 1.00 0.93 C ATOM 348 O ASN A 22 -5.909 -12.971 8.596 1.00 1.05 O ATOM 349 CB ASN A 22 -5.767 -11.489 11.296 1.00 1.19 C ATOM 350 CG ASN A 22 -6.487 -12.532 12.140 1.00 1.98 C ATOM 351 OD1 ASN A 22 -7.715 -12.601 12.167 1.00 2.79 O ATOM 352 ND2 ASN A 22 -5.721 -13.345 12.846 1.00 2.54 N ATOM 0 H ASN A 22 -8.057 -10.489 11.274 1.00 0.88 H new ATOM 0 HA ASN A 22 -5.881 -10.457 9.416 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -4.776 -11.863 11.039 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -5.623 -10.588 11.892 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -6.145 -14.059 13.438 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -4.706 -13.258 12.799 1.00 2.54 H new ATOM 359 N THR A 23 -8.059 -12.791 9.228 1.00 0.85 N ATOM 360 CA THR A 23 -8.473 -14.022 8.590 1.00 0.88 C ATOM 361 C THR A 23 -8.983 -13.770 7.175 1.00 0.71 C ATOM 362 O THR A 23 -9.185 -14.709 6.403 1.00 0.74 O ATOM 363 CB THR A 23 -9.571 -14.696 9.418 1.00 1.04 C ATOM 364 OG1 THR A 23 -9.479 -14.252 10.777 1.00 1.30 O ATOM 365 CG2 THR A 23 -9.421 -16.204 9.376 1.00 1.69 C ATOM 0 H THR A 23 -8.815 -12.280 9.683 1.00 0.85 H new ATOM 0 HA THR A 23 -7.603 -14.676 8.529 1.00 0.88 H new ATOM 0 HB THR A 23 -10.541 -14.426 8.999 1.00 1.04 H new ATOM 0 HG1 THR A 23 -10.181 -14.680 11.309 1.00 1.30 H new ATOM 0 HG21 THR A 23 -10.210 -16.665 9.970 1.00 1.69 H new ATOM 0 HG22 THR A 23 -9.495 -16.548 8.345 1.00 1.69 H new ATOM 0 HG23 THR A 23 -8.450 -16.484 9.783 1.00 1.69 H new ATOM 373 N THR A 24 -9.193 -12.506 6.835 1.00 0.57 N ATOM 374 CA THR A 24 -9.682 -12.155 5.515 1.00 0.45 C ATOM 375 C THR A 24 -8.523 -11.932 4.549 1.00 0.42 C ATOM 376 O THR A 24 -7.692 -11.046 4.760 1.00 0.50 O ATOM 377 CB THR A 24 -10.553 -10.882 5.564 1.00 0.44 C ATOM 378 OG1 THR A 24 -9.864 -9.836 6.262 1.00 1.08 O ATOM 379 CG2 THR A 24 -11.884 -11.153 6.244 1.00 0.92 C ATOM 0 H THR A 24 -9.032 -11.711 7.454 1.00 0.57 H new ATOM 0 HA THR A 24 -10.290 -12.988 5.163 1.00 0.45 H new ATOM 0 HB THR A 24 -10.745 -10.571 4.537 1.00 0.44 H new ATOM 0 HG1 THR A 24 -8.897 -9.943 6.140 1.00 1.08 H new ATOM 0 HG21 THR A 24 -12.476 -10.238 6.264 1.00 0.92 H new ATOM 0 HG22 THR A 24 -12.424 -11.923 5.693 1.00 0.92 H new ATOM 0 HG23 THR A 24 -11.709 -11.493 7.265 1.00 0.92 H new ATOM 387 N ASN A 25 -8.463 -12.736 3.499 1.00 0.43 N ATOM 388 CA ASN A 25 -7.511 -12.496 2.424 1.00 0.52 C ATOM 389 C ASN A 25 -8.057 -11.400 1.534 1.00 0.50 C ATOM 390 O ASN A 25 -9.086 -11.575 0.881 1.00 0.52 O ATOM 391 CB ASN A 25 -7.250 -13.762 1.600 1.00 0.64 C ATOM 392 CG ASN A 25 -6.388 -14.778 2.327 1.00 0.91 C ATOM 393 OD1 ASN A 25 -6.434 -14.894 3.551 1.00 1.72 O ATOM 394 ND2 ASN A 25 -5.588 -15.516 1.575 1.00 1.40 N ATOM 0 H ASN A 25 -9.057 -13.555 3.368 1.00 0.43 H new ATOM 0 HA ASN A 25 -6.559 -12.195 2.861 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -8.203 -14.222 1.341 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -6.764 -13.486 0.664 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -4.980 -16.212 2.007 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -5.579 -15.389 0.563 1.00 1.40 H new ATOM 401 N LEU A 26 -7.373 -10.262 1.524 1.00 0.56 N ATOM 402 CA LEU A 26 -7.846 -9.090 0.801 1.00 0.60 C ATOM 403 C LEU A 26 -8.063 -9.378 -0.675 1.00 0.60 C ATOM 404 O LEU A 26 -8.849 -8.697 -1.316 1.00 0.63 O ATOM 405 CB LEU A 26 -6.884 -7.915 0.975 1.00 0.68 C ATOM 406 CG LEU A 26 -7.232 -6.955 2.120 1.00 0.78 C ATOM 407 CD1 LEU A 26 -8.613 -6.353 1.909 1.00 1.36 C ATOM 408 CD2 LEU A 26 -7.156 -7.661 3.468 1.00 1.61 C ATOM 0 H LEU A 26 -6.487 -10.127 2.010 1.00 0.56 H new ATOM 0 HA LEU A 26 -8.811 -8.821 1.230 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -5.881 -8.308 1.143 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -6.853 -7.349 0.044 1.00 0.68 H new ATOM 0 HG LEU A 26 -6.498 -6.149 2.120 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -8.844 -5.675 2.730 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -8.630 -5.803 0.968 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -9.356 -7.150 1.877 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -7.407 -6.958 4.262 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -7.861 -8.492 3.483 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -6.146 -8.039 3.624 1.00 1.61 H new ATOM 420 N ASP A 27 -7.384 -10.395 -1.196 1.00 0.60 N ATOM 421 CA ASP A 27 -7.537 -10.808 -2.594 1.00 0.61 C ATOM 422 C ASP A 27 -9.007 -10.963 -2.982 1.00 0.64 C ATOM 423 O ASP A 27 -9.403 -10.621 -4.099 1.00 0.71 O ATOM 424 CB ASP A 27 -6.808 -12.132 -2.828 1.00 0.63 C ATOM 425 CG ASP A 27 -7.068 -12.701 -4.208 1.00 0.60 C ATOM 426 OD1 ASP A 27 -6.459 -12.211 -5.185 1.00 0.80 O ATOM 427 OD2 ASP A 27 -7.880 -13.638 -4.327 1.00 0.73 O ATOM 0 H ASP A 27 -6.715 -10.956 -0.668 1.00 0.60 H new ATOM 0 HA ASP A 27 -7.103 -10.027 -3.218 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -5.736 -11.981 -2.697 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -7.123 -12.855 -2.075 1.00 0.63 H new ATOM 432 N TYR A 28 -9.816 -11.437 -2.038 1.00 0.70 N ATOM 433 CA TYR A 28 -11.226 -11.716 -2.292 1.00 0.84 C ATOM 434 C TYR A 28 -12.015 -10.448 -2.622 1.00 0.89 C ATOM 435 O TYR A 28 -13.129 -10.525 -3.134 1.00 1.21 O ATOM 436 CB TYR A 28 -11.853 -12.439 -1.095 1.00 0.96 C ATOM 437 CG TYR A 28 -11.418 -13.885 -0.966 1.00 0.93 C ATOM 438 CD1 TYR A 28 -10.166 -14.217 -0.465 1.00 1.09 C ATOM 439 CD2 TYR A 28 -12.262 -14.919 -1.355 1.00 1.22 C ATOM 440 CE1 TYR A 28 -9.766 -15.535 -0.354 1.00 1.13 C ATOM 441 CE2 TYR A 28 -11.870 -16.241 -1.246 1.00 1.31 C ATOM 442 CZ TYR A 28 -10.621 -16.543 -0.747 1.00 1.08 C ATOM 443 OH TYR A 28 -10.226 -17.857 -0.640 1.00 1.22 O ATOM 0 H TYR A 28 -9.516 -11.637 -1.084 1.00 0.70 H new ATOM 0 HA TYR A 28 -11.275 -12.365 -3.167 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -11.591 -11.906 -0.181 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -12.939 -12.401 -1.186 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -9.493 -13.431 -0.157 1.00 1.09 H new ATOM 0 HD2 TYR A 28 -13.240 -14.686 -1.749 1.00 1.22 H new ATOM 0 HE1 TYR A 28 -8.789 -15.774 0.039 1.00 1.13 H new ATOM 0 HE2 TYR A 28 -12.539 -17.032 -1.550 1.00 1.31 H new ATOM 0 HH TYR A 28 -10.945 -18.442 -0.958 1.00 1.22 H new ATOM 453 N SER A 29 -11.475 -9.286 -2.276 1.00 0.70 N ATOM 454 CA SER A 29 -12.051 -8.025 -2.730 1.00 0.71 C ATOM 455 C SER A 29 -11.078 -7.284 -3.644 1.00 0.59 C ATOM 456 O SER A 29 -11.435 -6.837 -4.730 1.00 0.61 O ATOM 457 CB SER A 29 -12.381 -7.143 -1.534 1.00 0.81 C ATOM 458 OG SER A 29 -12.770 -7.930 -0.424 1.00 1.03 O ATOM 0 H SER A 29 -10.647 -9.190 -1.688 1.00 0.70 H new ATOM 0 HA SER A 29 -12.961 -8.249 -3.286 1.00 0.71 H new ATOM 0 HB2 SER A 29 -11.513 -6.539 -1.271 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.183 -6.452 -1.795 1.00 0.81 H new ATOM 0 HG SER A 29 -12.520 -7.472 0.405 1.00 1.03 H new ATOM 464 N ARG A 30 -9.829 -7.231 -3.199 1.00 0.54 N ATOM 465 CA ARG A 30 -8.809 -6.342 -3.747 1.00 0.52 C ATOM 466 C ARG A 30 -8.576 -6.581 -5.235 1.00 0.42 C ATOM 467 O ARG A 30 -8.504 -5.632 -6.014 1.00 0.40 O ATOM 468 CB ARG A 30 -7.504 -6.544 -2.971 1.00 0.58 C ATOM 469 CG ARG A 30 -6.498 -5.426 -3.131 1.00 0.86 C ATOM 470 CD ARG A 30 -6.867 -4.223 -2.282 1.00 1.15 C ATOM 471 NE ARG A 30 -5.814 -3.214 -2.295 1.00 1.84 N ATOM 472 CZ ARG A 30 -6.036 -1.907 -2.350 1.00 2.40 C ATOM 473 NH1 ARG A 30 -7.276 -1.441 -2.462 1.00 2.56 N ATOM 474 NH2 ARG A 30 -5.015 -1.062 -2.306 1.00 3.30 N ATOM 0 H ARG A 30 -9.489 -7.814 -2.434 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.159 -5.315 -3.640 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.739 -6.655 -1.912 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -7.045 -7.478 -3.295 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -5.508 -5.783 -2.848 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -6.443 -5.131 -4.179 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.795 -3.786 -2.652 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -7.052 -4.543 -1.257 1.00 1.15 H new ATOM 0 HE ARG A 30 -4.846 -3.533 -2.260 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -8.062 -2.089 -2.506 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -7.441 -0.435 -2.504 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -4.062 -1.417 -2.230 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -5.183 -0.057 -2.348 1.00 3.30 H new ATOM 488 N ARG A 31 -8.479 -7.845 -5.624 1.00 0.42 N ATOM 489 CA ARG A 31 -8.174 -8.201 -7.008 1.00 0.45 C ATOM 490 C ARG A 31 -9.296 -7.778 -7.961 1.00 0.46 C ATOM 491 O ARG A 31 -9.063 -7.534 -9.144 1.00 0.57 O ATOM 492 CB ARG A 31 -7.898 -9.706 -7.114 1.00 0.57 C ATOM 493 CG ARG A 31 -7.799 -10.220 -8.543 1.00 0.83 C ATOM 494 CD ARG A 31 -7.108 -11.574 -8.613 1.00 1.22 C ATOM 495 NE ARG A 31 -7.575 -12.498 -7.583 1.00 1.73 N ATOM 496 CZ ARG A 31 -8.233 -13.628 -7.826 1.00 2.33 C ATOM 497 NH1 ARG A 31 -8.627 -13.925 -9.059 1.00 2.65 N ATOM 498 NH2 ARG A 31 -8.522 -14.450 -6.824 1.00 3.18 N ATOM 0 H ARG A 31 -8.607 -8.643 -5.002 1.00 0.42 H new ATOM 0 HA ARG A 31 -7.278 -7.658 -7.309 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -6.968 -9.932 -6.593 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -8.691 -10.247 -6.599 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -8.799 -10.300 -8.970 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -7.250 -9.500 -9.150 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -7.279 -12.014 -9.595 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -6.032 -11.434 -8.509 1.00 1.22 H new ATOM 0 HE ARG A 31 -7.383 -12.260 -6.610 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -8.425 -13.285 -9.827 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -9.131 -14.793 -9.238 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -8.240 -14.214 -5.873 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -9.026 -15.318 -7.006 1.00 3.18 H new ATOM 512 N PHE A 32 -10.508 -7.666 -7.441 1.00 0.45 N ATOM 513 CA PHE A 32 -11.644 -7.256 -8.260 1.00 0.49 C ATOM 514 C PHE A 32 -11.770 -5.742 -8.266 1.00 0.43 C ATOM 515 O PHE A 32 -12.426 -5.164 -9.132 1.00 0.49 O ATOM 516 CB PHE A 32 -12.943 -7.864 -7.730 1.00 0.59 C ATOM 517 CG PHE A 32 -12.849 -9.331 -7.445 1.00 0.98 C ATOM 518 CD1 PHE A 32 -13.039 -10.266 -8.448 1.00 1.54 C ATOM 519 CD2 PHE A 32 -12.562 -9.771 -6.169 1.00 1.11 C ATOM 520 CE1 PHE A 32 -12.946 -11.617 -8.177 1.00 2.18 C ATOM 521 CE2 PHE A 32 -12.465 -11.116 -5.892 1.00 1.68 C ATOM 522 CZ PHE A 32 -12.658 -12.044 -6.896 1.00 2.21 C ATOM 0 H PHE A 32 -10.732 -7.851 -6.463 1.00 0.45 H new ATOM 0 HA PHE A 32 -11.471 -7.613 -9.275 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.231 -7.343 -6.817 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -13.737 -7.694 -8.458 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -13.262 -9.936 -9.452 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -12.412 -9.051 -5.378 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -13.098 -12.339 -8.966 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -12.238 -11.445 -4.889 1.00 1.68 H new ATOM 0 HZ PHE A 32 -12.584 -13.100 -6.680 1.00 2.21 H new ATOM 532 N LEU A 33 -11.119 -5.105 -7.300 1.00 0.41 N ATOM 533 CA LEU A 33 -11.242 -3.667 -7.112 1.00 0.39 C ATOM 534 C LEU A 33 -10.251 -2.903 -7.988 1.00 0.30 C ATOM 535 O LEU A 33 -10.237 -1.674 -7.977 1.00 0.31 O ATOM 536 CB LEU A 33 -11.016 -3.302 -5.638 1.00 0.47 C ATOM 537 CG LEU A 33 -11.926 -4.004 -4.630 1.00 0.63 C ATOM 538 CD1 LEU A 33 -11.678 -3.466 -3.231 1.00 0.74 C ATOM 539 CD2 LEU A 33 -13.389 -3.851 -5.014 1.00 0.72 C ATOM 0 H LEU A 33 -10.499 -5.565 -6.633 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.251 -3.380 -7.407 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -9.981 -3.528 -5.382 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -11.145 -2.225 -5.526 1.00 0.47 H new ATOM 0 HG LEU A 33 -11.689 -5.068 -4.640 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -12.333 -3.975 -2.524 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -10.639 -3.640 -2.953 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -11.884 -2.396 -3.211 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -14.013 -4.360 -4.280 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -13.649 -2.793 -5.041 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -13.555 -4.290 -5.998 1.00 0.72 H new ATOM 551 N GLU A 34 -9.433 -3.631 -8.748 1.00 0.27 N ATOM 552 CA GLU A 34 -8.417 -3.017 -9.613 1.00 0.25 C ATOM 553 C GLU A 34 -8.953 -1.845 -10.447 1.00 0.25 C ATOM 554 O GLU A 34 -8.378 -0.757 -10.403 1.00 0.26 O ATOM 555 CB GLU A 34 -7.795 -4.058 -10.537 1.00 0.28 C ATOM 556 CG GLU A 34 -6.627 -4.791 -9.919 1.00 0.35 C ATOM 557 CD GLU A 34 -6.047 -5.837 -10.845 1.00 0.48 C ATOM 558 OE1 GLU A 34 -5.164 -5.495 -11.653 1.00 0.71 O ATOM 559 OE2 GLU A 34 -6.464 -7.014 -10.758 1.00 0.65 O ATOM 0 H GLU A 34 -9.452 -4.650 -8.784 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.659 -2.613 -8.942 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.558 -4.782 -10.822 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.463 -3.568 -11.452 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -5.850 -4.073 -9.654 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -6.950 -5.268 -8.993 1.00 0.35 H new ATOM 566 N PRO A 35 -10.058 -2.020 -11.210 1.00 0.28 N ATOM 567 CA PRO A 35 -10.594 -0.940 -12.043 1.00 0.33 C ATOM 568 C PRO A 35 -11.078 0.257 -11.219 1.00 0.32 C ATOM 569 O PRO A 35 -11.216 1.366 -11.736 1.00 0.36 O ATOM 570 CB PRO A 35 -11.765 -1.593 -12.791 1.00 0.41 C ATOM 571 CG PRO A 35 -12.125 -2.792 -11.985 1.00 0.54 C ATOM 572 CD PRO A 35 -10.848 -3.260 -11.349 1.00 0.30 C ATOM 0 HA PRO A 35 -9.831 -0.532 -12.706 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.609 -0.908 -12.876 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.478 -1.872 -13.805 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.870 -2.545 -11.229 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -12.556 -3.571 -12.614 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -11.030 -3.731 -10.383 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.336 -3.995 -11.970 1.00 0.30 H new ATOM 580 N PHE A 36 -11.329 0.024 -9.936 1.00 0.32 N ATOM 581 CA PHE A 36 -11.770 1.080 -9.038 1.00 0.36 C ATOM 582 C PHE A 36 -10.572 1.845 -8.479 1.00 0.34 C ATOM 583 O PHE A 36 -10.612 3.068 -8.352 1.00 0.37 O ATOM 584 CB PHE A 36 -12.607 0.494 -7.898 1.00 0.44 C ATOM 585 CG PHE A 36 -13.135 1.528 -6.944 1.00 0.51 C ATOM 586 CD1 PHE A 36 -14.245 2.287 -7.273 1.00 0.58 C ATOM 587 CD2 PHE A 36 -12.516 1.747 -5.724 1.00 0.57 C ATOM 588 CE1 PHE A 36 -14.731 3.243 -6.402 1.00 0.67 C ATOM 589 CE2 PHE A 36 -12.995 2.702 -4.850 1.00 0.67 C ATOM 590 CZ PHE A 36 -14.103 3.450 -5.189 1.00 0.72 C ATOM 0 H PHE A 36 -11.234 -0.891 -9.495 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.389 1.776 -9.603 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.446 -0.059 -8.322 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -12.000 -0.222 -7.344 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.737 2.130 -8.222 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -11.648 1.164 -5.454 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -15.600 3.827 -6.669 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -12.503 2.863 -3.902 1.00 0.67 H new ATOM 0 HZ PHE A 36 -14.480 4.197 -4.506 1.00 0.72 H new ATOM 600 N LEU A 37 -9.508 1.114 -8.149 1.00 0.32 N ATOM 601 CA LEU A 37 -8.274 1.724 -7.647 1.00 0.34 C ATOM 602 C LEU A 37 -7.605 2.545 -8.737 1.00 0.30 C ATOM 603 O LEU A 37 -6.842 3.468 -8.454 1.00 0.31 O ATOM 604 CB LEU A 37 -7.286 0.660 -7.145 1.00 0.39 C ATOM 605 CG LEU A 37 -7.509 0.139 -5.721 1.00 0.47 C ATOM 606 CD1 LEU A 37 -7.420 1.266 -4.714 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.841 -0.569 -5.600 1.00 0.90 C ATOM 0 H LEU A 37 -9.474 0.097 -8.220 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.548 2.371 -6.813 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.322 -0.188 -7.828 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.279 1.074 -7.203 1.00 0.39 H new ATOM 0 HG LEU A 37 -6.719 -0.581 -5.506 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -7.582 0.871 -3.711 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -6.433 1.725 -4.768 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -8.181 2.014 -4.937 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -8.971 -0.928 -4.579 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -9.645 0.124 -5.846 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -8.867 -1.414 -6.287 1.00 0.90 H new ATOM 619 N ARG A 38 -7.897 2.188 -9.978 1.00 0.30 N ATOM 620 CA ARG A 38 -7.333 2.861 -11.134 1.00 0.34 C ATOM 621 C ARG A 38 -7.752 4.329 -11.182 1.00 0.34 C ATOM 622 O ARG A 38 -8.879 4.652 -11.559 1.00 0.43 O ATOM 623 CB ARG A 38 -7.773 2.149 -12.413 1.00 0.45 C ATOM 624 CG ARG A 38 -7.255 2.799 -13.686 1.00 0.56 C ATOM 625 CD ARG A 38 -7.671 2.012 -14.914 1.00 0.90 C ATOM 626 NE ARG A 38 -9.125 1.933 -15.052 1.00 1.91 N ATOM 627 CZ ARG A 38 -9.767 0.917 -15.632 1.00 2.44 C ATOM 628 NH1 ARG A 38 -9.091 -0.129 -16.101 1.00 2.16 N ATOM 629 NH2 ARG A 38 -11.089 0.942 -15.726 1.00 3.59 N ATOM 0 H ARG A 38 -8.531 1.424 -10.210 1.00 0.30 H new ATOM 0 HA ARG A 38 -6.247 2.825 -11.052 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -7.430 1.115 -12.379 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -8.862 2.123 -12.447 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -7.636 3.818 -13.758 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -6.168 2.867 -13.646 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -7.248 2.479 -15.803 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -7.258 1.005 -14.856 1.00 0.90 H new ATOM 0 HE ARG A 38 -9.683 2.702 -14.682 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -8.075 -0.158 -16.018 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -9.589 -0.902 -16.543 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -11.612 1.736 -15.356 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -11.584 0.167 -16.169 1.00 3.59 H new ATOM 643 N GLY A 39 -6.843 5.204 -10.780 1.00 0.29 N ATOM 644 CA GLY A 39 -7.073 6.626 -10.897 1.00 0.29 C ATOM 645 C GLY A 39 -7.442 7.286 -9.584 1.00 0.28 C ATOM 646 O GLY A 39 -8.006 8.382 -9.585 1.00 0.38 O ATOM 0 H GLY A 39 -5.943 4.950 -10.372 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -6.175 7.100 -11.294 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.871 6.799 -11.619 1.00 0.29 H new ATOM 650 N ILE A 40 -7.118 6.656 -8.459 1.00 0.26 N ATOM 651 CA ILE A 40 -7.469 7.244 -7.166 1.00 0.25 C ATOM 652 C ILE A 40 -6.304 8.048 -6.603 1.00 0.26 C ATOM 653 O ILE A 40 -5.188 7.988 -7.114 1.00 0.32 O ATOM 654 CB ILE A 40 -7.913 6.210 -6.103 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.753 5.298 -5.696 1.00 0.21 C ATOM 656 CG2 ILE A 40 -9.089 5.386 -6.607 1.00 0.24 C ATOM 657 CD1 ILE A 40 -7.003 4.541 -4.407 1.00 0.23 C ATOM 0 H ILE A 40 -6.627 5.763 -8.412 1.00 0.26 H new ATOM 0 HA ILE A 40 -8.323 7.889 -7.371 1.00 0.25 H new ATOM 0 HB ILE A 40 -8.233 6.762 -5.219 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.565 4.583 -6.497 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -5.850 5.899 -5.586 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.383 4.666 -5.843 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -9.928 6.046 -6.826 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -8.799 4.855 -7.513 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.140 3.915 -4.180 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -7.162 5.249 -3.594 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -7.887 3.914 -4.519 1.00 0.23 H new ATOM 669 N ASN A 41 -6.580 8.804 -5.554 1.00 0.31 N ATOM 670 CA ASN A 41 -5.559 9.588 -4.879 1.00 0.33 C ATOM 671 C ASN A 41 -5.441 9.132 -3.432 1.00 0.32 C ATOM 672 O ASN A 41 -6.435 9.078 -2.708 1.00 0.40 O ATOM 673 CB ASN A 41 -5.890 11.088 -4.955 1.00 0.43 C ATOM 674 CG ASN A 41 -7.249 11.436 -4.366 1.00 1.11 C ATOM 675 OD1 ASN A 41 -8.275 11.331 -5.040 1.00 1.99 O ATOM 676 ND2 ASN A 41 -7.264 11.882 -3.122 1.00 1.65 N ATOM 0 H ASN A 41 -7.512 8.892 -5.148 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.602 9.433 -5.377 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -5.119 11.650 -4.428 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -5.861 11.407 -5.997 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -8.146 12.153 -2.688 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -6.393 11.955 -2.596 1.00 1.65 H new ATOM 683 N VAL A 42 -4.237 8.781 -3.010 1.00 0.29 N ATOM 684 CA VAL A 42 -4.041 8.285 -1.662 1.00 0.31 C ATOM 685 C VAL A 42 -3.088 9.174 -0.901 1.00 0.23 C ATOM 686 O VAL A 42 -2.059 9.593 -1.429 1.00 0.23 O ATOM 687 CB VAL A 42 -3.504 6.833 -1.633 1.00 0.39 C ATOM 688 CG1 VAL A 42 -4.524 5.861 -2.181 1.00 0.66 C ATOM 689 CG2 VAL A 42 -2.195 6.712 -2.397 1.00 0.93 C ATOM 0 H VAL A 42 -3.390 8.830 -3.576 1.00 0.29 H new ATOM 0 HA VAL A 42 -5.023 8.293 -1.188 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.314 6.579 -0.590 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.118 4.850 -2.148 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -5.431 5.908 -1.579 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -4.759 6.124 -3.212 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -1.845 5.681 -2.358 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -2.352 7.002 -3.436 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -1.449 7.366 -1.946 1.00 0.93 H new ATOM 699 N VAL A 43 -3.448 9.486 0.323 1.00 0.21 N ATOM 700 CA VAL A 43 -2.546 10.155 1.227 1.00 0.19 C ATOM 701 C VAL A 43 -1.817 9.088 2.023 1.00 0.21 C ATOM 702 O VAL A 43 -2.382 8.471 2.927 1.00 0.24 O ATOM 703 CB VAL A 43 -3.301 11.110 2.173 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.334 11.929 3.008 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.218 12.023 1.381 1.00 0.25 C ATOM 0 H VAL A 43 -4.367 9.284 0.716 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.841 10.763 0.660 1.00 0.19 H new ATOM 0 HB VAL A 43 -3.905 10.506 2.850 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.894 12.594 3.666 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.715 11.261 3.608 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.697 12.521 2.351 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.744 12.691 2.063 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.627 12.612 0.679 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.942 11.423 0.831 1.00 0.25 H new ATOM 715 N TYR A 44 -0.576 8.853 1.653 1.00 0.22 N ATOM 716 CA TYR A 44 0.194 7.763 2.208 1.00 0.26 C ATOM 717 C TYR A 44 0.929 8.216 3.452 1.00 0.31 C ATOM 718 O TYR A 44 1.748 9.132 3.394 1.00 0.37 O ATOM 719 CB TYR A 44 1.191 7.250 1.168 1.00 0.31 C ATOM 720 CG TYR A 44 1.831 5.935 1.538 1.00 0.52 C ATOM 721 CD1 TYR A 44 1.213 4.738 1.215 1.00 0.36 C ATOM 722 CD2 TYR A 44 3.045 5.889 2.209 1.00 1.24 C ATOM 723 CE1 TYR A 44 1.782 3.529 1.549 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.625 4.683 2.547 1.00 1.69 C ATOM 725 CZ TYR A 44 2.989 3.506 2.215 1.00 1.41 C ATOM 726 OH TYR A 44 3.564 2.303 2.547 1.00 1.85 O ATOM 0 H TYR A 44 -0.075 9.411 0.961 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.486 6.956 2.481 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.680 7.139 0.212 1.00 0.31 H new ATOM 0 HB3 TYR A 44 1.972 7.997 1.027 1.00 0.31 H new ATOM 0 HD1 TYR A 44 0.268 4.753 0.692 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.543 6.811 2.471 1.00 1.24 H new ATOM 0 HE1 TYR A 44 1.286 2.605 1.291 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.571 4.662 3.068 1.00 1.69 H new ATOM 0 HH TYR A 44 4.462 2.458 2.908 1.00 1.85 H new ATOM 736 N THR A 45 0.618 7.584 4.569 1.00 0.32 N ATOM 737 CA THR A 45 1.301 7.867 5.815 1.00 0.39 C ATOM 738 C THR A 45 2.410 6.847 6.051 1.00 0.41 C ATOM 739 O THR A 45 2.142 5.697 6.404 1.00 0.44 O ATOM 740 CB THR A 45 0.319 7.854 7.004 1.00 0.47 C ATOM 741 OG1 THR A 45 -0.510 6.683 6.947 1.00 1.27 O ATOM 742 CG2 THR A 45 -0.554 9.102 7.001 1.00 0.96 C ATOM 0 H THR A 45 -0.106 6.869 4.637 1.00 0.32 H new ATOM 0 HA THR A 45 1.736 8.864 5.740 1.00 0.39 H new ATOM 0 HB THR A 45 0.901 7.840 7.925 1.00 0.47 H new ATOM 0 HG1 THR A 45 0.043 5.900 6.744 1.00 1.27 H new ATOM 0 HG21 THR A 45 -1.238 9.070 7.849 1.00 0.96 H new ATOM 0 HG22 THR A 45 0.077 9.988 7.077 1.00 0.96 H new ATOM 0 HG23 THR A 45 -1.126 9.143 6.074 1.00 0.96 H new ATOM 750 N PRO A 46 3.667 7.254 5.841 1.00 0.45 N ATOM 751 CA PRO A 46 4.819 6.372 5.991 1.00 0.51 C ATOM 752 C PRO A 46 5.140 6.107 7.455 1.00 0.52 C ATOM 753 O PRO A 46 4.925 6.968 8.313 1.00 0.57 O ATOM 754 CB PRO A 46 5.972 7.147 5.329 1.00 0.56 C ATOM 755 CG PRO A 46 5.355 8.357 4.708 1.00 0.58 C ATOM 756 CD PRO A 46 4.073 8.605 5.449 1.00 0.51 C ATOM 0 HA PRO A 46 4.641 5.395 5.542 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.726 7.428 6.065 1.00 0.56 H new ATOM 0 HB3 PRO A 46 6.472 6.535 4.578 1.00 0.56 H new ATOM 0 HG2 PRO A 46 6.021 9.216 4.786 1.00 0.58 H new ATOM 0 HG3 PRO A 46 5.166 8.195 3.647 1.00 0.58 H new ATOM 0 HD2 PRO A 46 4.223 9.251 6.314 1.00 0.51 H new ATOM 0 HD3 PRO A 46 3.326 9.086 4.818 1.00 0.51 H new ATOM 764 N PRO A 47 5.630 4.894 7.758 1.00 0.60 N ATOM 765 CA PRO A 47 6.083 4.533 9.101 1.00 0.68 C ATOM 766 C PRO A 47 7.091 5.541 9.639 1.00 0.62 C ATOM 767 O PRO A 47 7.984 5.993 8.918 1.00 0.56 O ATOM 768 CB PRO A 47 6.741 3.168 8.898 1.00 0.82 C ATOM 769 CG PRO A 47 6.063 2.601 7.702 1.00 0.86 C ATOM 770 CD PRO A 47 5.763 3.773 6.810 1.00 0.73 C ATOM 0 HA PRO A 47 5.270 4.517 9.827 1.00 0.68 H new ATOM 0 HB2 PRO A 47 7.815 3.265 8.737 1.00 0.82 H new ATOM 0 HB3 PRO A 47 6.606 2.529 9.771 1.00 0.82 H new ATOM 0 HG2 PRO A 47 6.702 1.877 7.196 1.00 0.86 H new ATOM 0 HG3 PRO A 47 5.149 2.078 7.982 1.00 0.86 H new ATOM 0 HD2 PRO A 47 6.564 3.947 6.091 1.00 0.73 H new ATOM 0 HD3 PRO A 47 4.848 3.619 6.238 1.00 0.73 H new ATOM 778 N GLN A 48 6.933 5.880 10.914 1.00 0.73 N ATOM 779 CA GLN A 48 7.709 6.936 11.558 1.00 0.79 C ATOM 780 C GLN A 48 9.218 6.712 11.454 1.00 0.67 C ATOM 781 O GLN A 48 9.991 7.667 11.502 1.00 0.73 O ATOM 782 CB GLN A 48 7.304 7.063 13.028 1.00 1.03 C ATOM 783 CG GLN A 48 7.291 5.739 13.778 1.00 0.91 C ATOM 784 CD GLN A 48 7.121 5.913 15.274 1.00 1.24 C ATOM 785 OE1 GLN A 48 7.562 6.910 15.848 1.00 1.91 O ATOM 786 NE2 GLN A 48 6.475 4.954 15.916 1.00 1.84 N ATOM 0 H GLN A 48 6.260 5.428 11.533 1.00 0.73 H new ATOM 0 HA GLN A 48 7.485 7.861 11.027 1.00 0.79 H new ATOM 0 HB2 GLN A 48 7.992 7.746 13.527 1.00 1.03 H new ATOM 0 HB3 GLN A 48 6.312 7.512 13.085 1.00 1.03 H new ATOM 0 HG2 GLN A 48 6.482 5.118 13.395 1.00 0.91 H new ATOM 0 HG3 GLN A 48 8.222 5.207 13.582 1.00 0.91 H new ATOM 0 HE21 GLN A 48 6.125 4.144 15.404 1.00 1.84 H new ATOM 0 HE22 GLN A 48 6.327 5.024 16.923 1.00 1.84 H new ATOM 795 N SER A 49 9.639 5.464 11.297 1.00 0.60 N ATOM 796 CA SER A 49 11.058 5.147 11.226 1.00 0.59 C ATOM 797 C SER A 49 11.649 5.526 9.858 1.00 0.62 C ATOM 798 O SER A 49 12.863 5.476 9.662 1.00 0.71 O ATOM 799 CB SER A 49 11.282 3.661 11.526 1.00 0.71 C ATOM 800 OG SER A 49 12.660 3.363 11.670 1.00 1.55 O ATOM 0 H SER A 49 9.020 4.657 11.217 1.00 0.60 H new ATOM 0 HA SER A 49 11.577 5.738 11.980 1.00 0.59 H new ATOM 0 HB2 SER A 49 10.752 3.389 12.439 1.00 0.71 H new ATOM 0 HB3 SER A 49 10.860 3.059 10.721 1.00 0.71 H new ATOM 0 HG SER A 49 13.190 4.011 11.161 1.00 1.55 H new ATOM 806 N PHE A 50 10.789 5.911 8.916 1.00 0.62 N ATOM 807 CA PHE A 50 11.249 6.357 7.602 1.00 0.66 C ATOM 808 C PHE A 50 11.474 7.864 7.579 1.00 0.67 C ATOM 809 O PHE A 50 12.029 8.406 6.620 1.00 0.79 O ATOM 810 CB PHE A 50 10.249 5.980 6.505 1.00 0.69 C ATOM 811 CG PHE A 50 10.291 4.532 6.109 1.00 0.71 C ATOM 812 CD1 PHE A 50 11.359 4.026 5.387 1.00 0.91 C ATOM 813 CD2 PHE A 50 9.267 3.675 6.472 1.00 0.80 C ATOM 814 CE1 PHE A 50 11.403 2.691 5.032 1.00 1.01 C ATOM 815 CE2 PHE A 50 9.305 2.341 6.120 1.00 0.89 C ATOM 816 CZ PHE A 50 10.364 1.859 5.354 1.00 0.93 C ATOM 0 H PHE A 50 9.776 5.923 9.037 1.00 0.62 H new ATOM 0 HA PHE A 50 12.195 5.852 7.409 1.00 0.66 H new ATOM 0 HB2 PHE A 50 9.243 6.223 6.846 1.00 0.69 H new ATOM 0 HB3 PHE A 50 10.444 6.592 5.625 1.00 0.69 H new ATOM 0 HD1 PHE A 50 12.167 4.682 5.098 1.00 0.91 H new ATOM 0 HD2 PHE A 50 8.429 4.054 7.037 1.00 0.80 H new ATOM 0 HE1 PHE A 50 12.259 2.303 4.499 1.00 1.01 H new ATOM 0 HE2 PHE A 50 8.517 1.674 6.437 1.00 0.89 H new ATOM 0 HZ PHE A 50 10.366 0.833 5.015 1.00 0.93 H new ATOM 826 N GLN A 51 11.022 8.531 8.645 1.00 0.62 N ATOM 827 CA GLN A 51 11.145 9.984 8.785 1.00 0.70 C ATOM 828 C GLN A 51 10.536 10.718 7.593 1.00 0.62 C ATOM 829 O GLN A 51 10.975 11.810 7.231 1.00 0.72 O ATOM 830 CB GLN A 51 12.611 10.380 8.957 1.00 0.93 C ATOM 831 CG GLN A 51 13.272 9.732 10.160 1.00 1.08 C ATOM 832 CD GLN A 51 14.705 10.180 10.349 1.00 1.45 C ATOM 833 OE1 GLN A 51 15.075 11.299 9.992 1.00 1.53 O ATOM 834 NE2 GLN A 51 15.521 9.307 10.911 1.00 2.20 N ATOM 0 H GLN A 51 10.561 8.079 9.434 1.00 0.62 H new ATOM 0 HA GLN A 51 10.590 10.278 9.676 1.00 0.70 H new ATOM 0 HB2 GLN A 51 13.162 10.106 8.057 1.00 0.93 H new ATOM 0 HB3 GLN A 51 12.678 11.464 9.054 1.00 0.93 H new ATOM 0 HG2 GLN A 51 12.700 9.970 11.056 1.00 1.08 H new ATOM 0 HG3 GLN A 51 13.246 8.648 10.044 1.00 1.08 H new ATOM 0 HE21 GLN A 51 15.172 8.390 11.192 1.00 2.20 H new ATOM 0 HE22 GLN A 51 16.500 9.549 11.064 1.00 2.20 H new ATOM 843 N SER A 52 9.522 10.114 6.990 1.00 0.51 N ATOM 844 CA SER A 52 8.875 10.688 5.822 1.00 0.50 C ATOM 845 C SER A 52 7.500 11.240 6.191 1.00 0.48 C ATOM 846 O SER A 52 6.961 10.928 7.254 1.00 0.54 O ATOM 847 CB SER A 52 8.751 9.626 4.731 1.00 0.53 C ATOM 848 OG SER A 52 10.014 9.053 4.434 1.00 1.18 O ATOM 0 H SER A 52 9.129 9.223 7.293 1.00 0.51 H new ATOM 0 HA SER A 52 9.482 11.512 5.447 1.00 0.50 H new ATOM 0 HB2 SER A 52 8.061 8.847 5.054 1.00 0.53 H new ATOM 0 HB3 SER A 52 8.329 10.072 3.830 1.00 0.53 H new ATOM 0 HG SER A 52 9.909 8.375 3.734 1.00 1.18 H new ATOM 854 N ALA A 53 6.942 12.061 5.315 1.00 0.54 N ATOM 855 CA ALA A 53 5.662 12.705 5.576 1.00 0.60 C ATOM 856 C ALA A 53 4.601 12.218 4.589 1.00 0.51 C ATOM 857 O ALA A 53 4.937 11.702 3.525 1.00 0.50 O ATOM 858 CB ALA A 53 5.820 14.215 5.494 1.00 0.80 C ATOM 0 H ALA A 53 7.356 12.298 4.414 1.00 0.54 H new ATOM 0 HA ALA A 53 5.332 12.439 6.580 1.00 0.60 H new ATOM 0 HB1 ALA A 53 4.860 14.692 5.690 1.00 0.80 H new ATOM 0 HB2 ALA A 53 6.548 14.545 6.235 1.00 0.80 H new ATOM 0 HB3 ALA A 53 6.166 14.491 4.498 1.00 0.80 H new ATOM 864 N PRO A 54 3.308 12.358 4.946 1.00 0.50 N ATOM 865 CA PRO A 54 2.191 11.946 4.084 1.00 0.43 C ATOM 866 C PRO A 54 2.236 12.601 2.710 1.00 0.38 C ATOM 867 O PRO A 54 2.421 13.815 2.594 1.00 0.41 O ATOM 868 CB PRO A 54 0.951 12.414 4.849 1.00 0.47 C ATOM 869 CG PRO A 54 1.391 12.498 6.266 1.00 0.63 C ATOM 870 CD PRO A 54 2.832 12.914 6.225 1.00 0.57 C ATOM 0 HA PRO A 54 2.213 10.874 3.890 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.602 13.380 4.485 1.00 0.47 H new ATOM 0 HB3 PRO A 54 0.125 11.712 4.732 1.00 0.47 H new ATOM 0 HG2 PRO A 54 0.791 13.221 6.819 1.00 0.63 H new ATOM 0 HG3 PRO A 54 1.276 11.538 6.768 1.00 0.63 H new ATOM 0 HD2 PRO A 54 2.939 13.998 6.257 1.00 0.57 H new ATOM 0 HD3 PRO A 54 3.391 12.513 7.071 1.00 0.57 H new ATOM 878 N ARG A 55 2.064 11.788 1.678 1.00 0.37 N ATOM 879 CA ARG A 55 2.116 12.261 0.300 1.00 0.40 C ATOM 880 C ARG A 55 0.877 11.803 -0.450 1.00 0.31 C ATOM 881 O ARG A 55 0.235 10.835 -0.057 1.00 0.31 O ATOM 882 CB ARG A 55 3.355 11.710 -0.404 1.00 0.60 C ATOM 883 CG ARG A 55 4.651 11.980 0.330 1.00 1.07 C ATOM 884 CD ARG A 55 5.808 11.249 -0.320 1.00 1.04 C ATOM 885 NE ARG A 55 7.016 11.308 0.496 1.00 1.50 N ATOM 886 CZ ARG A 55 7.908 10.321 0.575 1.00 1.68 C ATOM 887 NH1 ARG A 55 7.723 9.194 -0.112 1.00 1.47 N ATOM 888 NH2 ARG A 55 8.970 10.457 1.360 1.00 2.51 N ATOM 0 H ARG A 55 1.885 10.788 1.770 1.00 0.37 H new ATOM 0 HA ARG A 55 2.161 13.350 0.310 1.00 0.40 H new ATOM 0 HB2 ARG A 55 3.239 10.634 -0.532 1.00 0.60 H new ATOM 0 HB3 ARG A 55 3.417 12.145 -1.402 1.00 0.60 H new ATOM 0 HG2 ARG A 55 4.852 13.051 0.338 1.00 1.07 H new ATOM 0 HG3 ARG A 55 4.556 11.666 1.369 1.00 1.07 H new ATOM 0 HD2 ARG A 55 5.532 10.208 -0.486 1.00 1.04 H new ATOM 0 HD3 ARG A 55 6.009 11.685 -1.299 1.00 1.04 H new ATOM 0 HE ARG A 55 7.188 12.155 1.038 1.00 1.50 H new ATOM 0 HH11 ARG A 55 6.897 9.085 -0.700 1.00 1.47 H new ATOM 0 HH12 ARG A 55 8.408 8.440 -0.049 1.00 1.47 H new ATOM 0 HH21 ARG A 55 9.100 11.313 1.899 1.00 2.51 H new ATOM 0 HH22 ARG A 55 9.656 9.705 1.425 1.00 2.51 H new ATOM 902 N VAL A 56 0.552 12.490 -1.530 1.00 0.35 N ATOM 903 CA VAL A 56 -0.591 12.113 -2.351 1.00 0.35 C ATOM 904 C VAL A 56 -0.124 11.355 -3.591 1.00 0.38 C ATOM 905 O VAL A 56 0.645 11.885 -4.398 1.00 0.53 O ATOM 906 CB VAL A 56 -1.420 13.345 -2.777 1.00 0.49 C ATOM 907 CG1 VAL A 56 -2.612 12.931 -3.625 1.00 1.13 C ATOM 908 CG2 VAL A 56 -1.877 14.132 -1.559 1.00 1.25 C ATOM 0 H VAL A 56 1.060 13.310 -1.861 1.00 0.35 H new ATOM 0 HA VAL A 56 -1.229 11.468 -1.747 1.00 0.35 H new ATOM 0 HB VAL A 56 -0.781 13.989 -3.382 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -3.179 13.816 -3.912 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -2.261 12.419 -4.521 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -3.252 12.261 -3.051 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -2.459 14.995 -1.881 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.493 13.495 -0.925 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -1.007 14.470 -0.997 1.00 1.25 H new ATOM 918 N TYR A 57 -0.575 10.113 -3.731 1.00 0.30 N ATOM 919 CA TYR A 57 -0.178 9.283 -4.860 1.00 0.33 C ATOM 920 C TYR A 57 -1.367 9.031 -5.770 1.00 0.29 C ATOM 921 O TYR A 57 -2.475 8.775 -5.297 1.00 0.25 O ATOM 922 CB TYR A 57 0.408 7.942 -4.380 1.00 0.36 C ATOM 923 CG TYR A 57 1.774 8.055 -3.737 1.00 0.47 C ATOM 924 CD1 TYR A 57 1.921 8.469 -2.419 1.00 0.46 C ATOM 925 CD2 TYR A 57 2.920 7.743 -4.456 1.00 0.70 C ATOM 926 CE1 TYR A 57 3.173 8.568 -1.838 1.00 0.56 C ATOM 927 CE2 TYR A 57 4.173 7.839 -3.884 1.00 0.82 C ATOM 928 CZ TYR A 57 4.296 8.251 -2.575 1.00 0.70 C ATOM 929 OH TYR A 57 5.547 8.351 -2.004 1.00 0.83 O ATOM 0 H TYR A 57 -1.214 9.661 -3.078 1.00 0.30 H new ATOM 0 HA TYR A 57 0.593 9.816 -5.417 1.00 0.33 H new ATOM 0 HB2 TYR A 57 -0.281 7.492 -3.665 1.00 0.36 H new ATOM 0 HB3 TYR A 57 0.474 7.263 -5.230 1.00 0.36 H new ATOM 0 HD1 TYR A 57 1.045 8.717 -1.839 1.00 0.46 H new ATOM 0 HD2 TYR A 57 2.830 7.419 -5.482 1.00 0.70 H new ATOM 0 HE1 TYR A 57 3.271 8.892 -0.812 1.00 0.56 H new ATOM 0 HE2 TYR A 57 5.053 7.592 -4.460 1.00 0.82 H new ATOM 0 HH TYR A 57 6.227 8.090 -2.659 1.00 0.83 H new ATOM 939 N ARG A 58 -1.140 9.124 -7.071 1.00 0.36 N ATOM 940 CA ARG A 58 -2.168 8.795 -8.042 1.00 0.34 C ATOM 941 C ARG A 58 -2.068 7.313 -8.372 1.00 0.32 C ATOM 942 O ARG A 58 -1.260 6.899 -9.206 1.00 0.39 O ATOM 943 CB ARG A 58 -2.020 9.651 -9.305 1.00 0.41 C ATOM 944 CG ARG A 58 -3.109 9.411 -10.345 1.00 0.47 C ATOM 945 CD ARG A 58 -4.500 9.710 -9.798 1.00 1.05 C ATOM 946 NE ARG A 58 -4.649 11.105 -9.383 1.00 1.91 N ATOM 947 CZ ARG A 58 -5.772 11.623 -8.884 1.00 2.95 C ATOM 948 NH1 ARG A 58 -6.871 10.884 -8.769 1.00 3.38 N ATOM 949 NH2 ARG A 58 -5.800 12.894 -8.512 1.00 3.81 N ATOM 0 H ARG A 58 -0.254 9.424 -7.477 1.00 0.36 H new ATOM 0 HA ARG A 58 -3.151 9.008 -7.622 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -2.027 10.704 -9.022 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -1.049 9.449 -9.757 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -2.921 10.037 -11.217 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -3.067 8.375 -10.681 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -5.244 9.479 -10.560 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -4.701 9.058 -8.948 1.00 1.05 H new ATOM 0 HE ARG A 58 -3.842 11.721 -9.482 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -6.862 9.908 -9.064 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -7.723 11.293 -8.386 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -4.965 13.472 -8.608 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -6.657 13.295 -8.130 1.00 3.81 H new ATOM 963 N VAL A 59 -2.880 6.523 -7.690 1.00 0.29 N ATOM 964 CA VAL A 59 -2.839 5.076 -7.815 1.00 0.27 C ATOM 965 C VAL A 59 -3.400 4.649 -9.158 1.00 0.27 C ATOM 966 O VAL A 59 -4.556 4.934 -9.469 1.00 0.29 O ATOM 967 CB VAL A 59 -3.627 4.395 -6.680 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.512 2.883 -6.765 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.137 4.893 -5.333 1.00 0.24 C ATOM 0 H VAL A 59 -3.584 6.865 -7.036 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.797 4.764 -7.743 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.680 4.656 -6.790 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -4.078 2.429 -5.952 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -3.911 2.541 -7.720 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.464 2.593 -6.685 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -3.701 4.405 -4.538 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.078 4.660 -5.222 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.280 5.972 -5.270 1.00 0.24 H new ATOM 979 N ASN A 60 -2.568 3.983 -9.952 1.00 0.28 N ATOM 980 CA ASN A 60 -2.950 3.577 -11.300 1.00 0.32 C ATOM 981 C ASN A 60 -3.684 2.242 -11.268 1.00 0.35 C ATOM 982 O ASN A 60 -4.476 1.937 -12.157 1.00 0.46 O ATOM 983 CB ASN A 60 -1.710 3.489 -12.197 1.00 0.39 C ATOM 984 CG ASN A 60 -2.059 3.382 -13.670 1.00 1.24 C ATOM 985 OD1 ASN A 60 -2.184 2.289 -14.221 1.00 1.61 O ATOM 986 ND2 ASN A 60 -2.216 4.528 -14.318 1.00 2.10 N ATOM 0 H ASN A 60 -1.622 3.712 -9.684 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.625 4.327 -11.712 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -1.089 4.370 -12.038 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -1.116 2.623 -11.905 1.00 0.39 H new ATOM 0 HD21 ASN A 60 -2.449 4.525 -15.311 1.00 2.10 H new ATOM 0 HD22 ASN A 60 -2.103 5.413 -13.824 1.00 2.10 H new ATOM 993 N GLY A 61 -3.412 1.453 -10.240 1.00 0.29 N ATOM 994 CA GLY A 61 -4.127 0.207 -10.052 1.00 0.35 C ATOM 995 C GLY A 61 -3.555 -0.605 -8.916 1.00 0.30 C ATOM 996 O GLY A 61 -3.077 -0.046 -7.929 1.00 0.24 O ATOM 0 H GLY A 61 -2.707 1.653 -9.531 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -5.178 0.418 -9.854 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -4.087 -0.377 -10.972 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.582 -1.916 -9.056 1.00 0.40 N ATOM 1001 CA LEU A 62 -3.111 -2.802 -8.005 1.00 0.37 C ATOM 1002 C LEU A 62 -2.223 -3.891 -8.569 1.00 0.40 C ATOM 1003 O LEU A 62 -2.230 -4.165 -9.772 1.00 0.46 O ATOM 1004 CB LEU A 62 -4.297 -3.430 -7.275 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.164 -2.444 -6.498 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.319 -3.163 -5.839 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.332 -1.715 -5.458 1.00 0.42 C ATOM 0 H LEU A 62 -3.926 -2.394 -9.889 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.526 -2.209 -7.302 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -4.922 -3.946 -8.003 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -3.922 -4.185 -6.584 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.566 -1.711 -7.197 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -6.928 -2.446 -5.289 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -6.929 -3.647 -6.602 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -5.934 -3.916 -5.151 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -4.964 -1.015 -4.912 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -3.905 -2.437 -4.762 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.529 -1.169 -5.952 1.00 0.42 H new ATOM 1019 N SER A 63 -1.439 -4.497 -7.698 1.00 0.39 N ATOM 1020 CA SER A 63 -0.587 -5.601 -8.086 1.00 0.45 C ATOM 1021 C SER A 63 -1.308 -6.920 -7.834 1.00 0.43 C ATOM 1022 O SER A 63 -2.222 -6.992 -7.012 1.00 0.51 O ATOM 1023 CB SER A 63 0.720 -5.553 -7.301 1.00 0.53 C ATOM 1024 OG SER A 63 1.680 -6.434 -7.859 1.00 1.45 O ATOM 0 H SER A 63 -1.376 -4.241 -6.713 1.00 0.39 H new ATOM 0 HA SER A 63 -0.357 -5.521 -9.149 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.111 -4.536 -7.301 1.00 0.53 H new ATOM 0 HB3 SER A 63 0.534 -5.823 -6.261 1.00 0.53 H new ATOM 0 HG SER A 63 1.943 -7.098 -7.188 1.00 1.45 H new ATOM 1030 N ARG A 64 -0.888 -7.960 -8.547 1.00 0.51 N ATOM 1031 CA ARG A 64 -1.541 -9.258 -8.473 1.00 0.56 C ATOM 1032 C ARG A 64 -0.987 -10.075 -7.305 1.00 0.47 C ATOM 1033 O ARG A 64 -1.481 -11.161 -6.997 1.00 0.54 O ATOM 1034 CB ARG A 64 -1.337 -10.023 -9.787 1.00 0.75 C ATOM 1035 CG ARG A 64 -2.255 -11.226 -9.949 1.00 1.20 C ATOM 1036 CD ARG A 64 -3.666 -10.811 -10.337 1.00 1.80 C ATOM 1037 NE ARG A 64 -3.735 -10.339 -11.721 1.00 2.42 N ATOM 1038 CZ ARG A 64 -4.834 -9.860 -12.299 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -5.953 -9.717 -11.604 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -4.807 -9.508 -13.575 1.00 3.98 N ATOM 0 H ARG A 64 -0.093 -7.926 -9.186 1.00 0.51 H new ATOM 0 HA ARG A 64 -2.607 -9.099 -8.311 1.00 0.56 H new ATOM 0 HB2 ARG A 64 -1.497 -9.341 -10.622 1.00 0.75 H new ATOM 0 HB3 ARG A 64 -0.301 -10.358 -9.844 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -1.850 -11.893 -10.710 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -2.285 -11.789 -9.016 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -4.342 -11.657 -10.208 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -4.010 -10.023 -9.667 1.00 1.80 H new ATOM 0 HE ARG A 64 -2.883 -10.380 -12.280 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -5.977 -9.975 -10.617 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -6.790 -9.349 -12.056 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -3.945 -9.604 -14.112 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -5.648 -9.141 -14.021 1.00 3.98 H new ATOM 1054 N ALA A 65 0.046 -9.550 -6.660 1.00 0.42 N ATOM 1055 CA ALA A 65 0.690 -10.245 -5.554 1.00 0.44 C ATOM 1056 C ALA A 65 0.814 -9.343 -4.331 1.00 0.42 C ATOM 1057 O ALA A 65 1.012 -8.132 -4.454 1.00 0.43 O ATOM 1058 CB ALA A 65 2.059 -10.746 -5.983 1.00 0.59 C ATOM 0 H ALA A 65 0.456 -8.644 -6.884 1.00 0.42 H new ATOM 0 HA ALA A 65 0.068 -11.096 -5.278 1.00 0.44 H new ATOM 0 HB1 ALA A 65 2.534 -11.265 -5.150 1.00 0.59 H new ATOM 0 HB2 ALA A 65 1.949 -11.432 -6.822 1.00 0.59 H new ATOM 0 HB3 ALA A 65 2.678 -9.901 -6.284 1.00 0.59 H new ATOM 1064 N PRO A 66 0.674 -9.928 -3.129 1.00 0.41 N ATOM 1065 CA PRO A 66 0.837 -9.208 -1.867 1.00 0.42 C ATOM 1066 C PRO A 66 2.296 -8.847 -1.600 1.00 0.43 C ATOM 1067 O PRO A 66 3.217 -9.507 -2.089 1.00 0.45 O ATOM 1068 CB PRO A 66 0.334 -10.199 -0.804 1.00 0.46 C ATOM 1069 CG PRO A 66 -0.338 -11.298 -1.558 1.00 0.62 C ATOM 1070 CD PRO A 66 0.318 -11.336 -2.905 1.00 0.46 C ATOM 0 HA PRO A 66 0.294 -8.263 -1.870 1.00 0.42 H new ATOM 0 HB2 PRO A 66 1.160 -10.583 -0.206 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.360 -9.716 -0.116 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -0.225 -12.251 -1.042 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -1.408 -11.111 -1.650 1.00 0.62 H new ATOM 0 HD2 PRO A 66 1.196 -11.982 -2.910 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -0.357 -11.711 -3.674 1.00 0.46 H new ATOM 1078 N ALA A 67 2.495 -7.809 -0.791 1.00 0.54 N ATOM 1079 CA ALA A 67 3.829 -7.285 -0.499 1.00 0.63 C ATOM 1080 C ALA A 67 4.656 -8.259 0.335 1.00 0.52 C ATOM 1081 O ALA A 67 5.846 -8.038 0.566 1.00 0.57 O ATOM 1082 CB ALA A 67 3.722 -5.951 0.222 1.00 0.88 C ATOM 0 H ALA A 67 1.741 -7.309 -0.321 1.00 0.54 H new ATOM 0 HA ALA A 67 4.340 -7.147 -1.452 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.721 -5.571 0.434 1.00 0.88 H new ATOM 0 HB2 ALA A 67 3.189 -5.239 -0.408 1.00 0.88 H new ATOM 0 HB3 ALA A 67 3.179 -6.086 1.157 1.00 0.88 H new ATOM 1088 N SER A 68 4.022 -9.329 0.790 1.00 0.49 N ATOM 1089 CA SER A 68 4.707 -10.341 1.576 1.00 0.52 C ATOM 1090 C SER A 68 5.353 -11.377 0.658 1.00 0.47 C ATOM 1091 O SER A 68 6.088 -12.248 1.115 1.00 0.58 O ATOM 1092 CB SER A 68 3.720 -11.017 2.534 1.00 0.64 C ATOM 1093 OG SER A 68 4.389 -11.828 3.484 1.00 1.73 O ATOM 0 H SER A 68 3.033 -9.518 0.628 1.00 0.49 H new ATOM 0 HA SER A 68 5.492 -9.862 2.162 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.135 -10.256 3.051 1.00 0.64 H new ATOM 0 HB3 SER A 68 3.018 -11.626 1.964 1.00 0.64 H new ATOM 0 HG SER A 68 5.210 -12.186 3.087 1.00 1.73 H new ATOM 1099 N SER A 69 5.079 -11.270 -0.637 1.00 0.43 N ATOM 1100 CA SER A 69 5.619 -12.210 -1.608 1.00 0.52 C ATOM 1101 C SER A 69 6.678 -11.541 -2.482 1.00 0.56 C ATOM 1102 O SER A 69 7.728 -12.128 -2.756 1.00 0.88 O ATOM 1103 CB SER A 69 4.492 -12.777 -2.479 1.00 0.67 C ATOM 1104 OG SER A 69 4.983 -13.745 -3.391 1.00 1.30 O ATOM 0 H SER A 69 4.487 -10.542 -1.037 1.00 0.43 H new ATOM 0 HA SER A 69 6.092 -13.029 -1.066 1.00 0.52 H new ATOM 0 HB2 SER A 69 3.730 -13.227 -1.843 1.00 0.67 H new ATOM 0 HB3 SER A 69 4.012 -11.967 -3.028 1.00 0.67 H new ATOM 0 HG SER A 69 4.242 -14.090 -3.932 1.00 1.30 H new ATOM 1110 N GLU A 70 6.401 -10.314 -2.916 1.00 0.52 N ATOM 1111 CA GLU A 70 7.304 -9.591 -3.808 1.00 0.53 C ATOM 1112 C GLU A 70 8.602 -9.221 -3.105 1.00 0.47 C ATOM 1113 O GLU A 70 8.597 -8.811 -1.943 1.00 0.45 O ATOM 1114 CB GLU A 70 6.618 -8.342 -4.359 1.00 0.64 C ATOM 1115 CG GLU A 70 5.446 -8.659 -5.272 1.00 1.19 C ATOM 1116 CD GLU A 70 5.863 -9.445 -6.501 1.00 1.34 C ATOM 1117 OE1 GLU A 70 6.037 -10.675 -6.392 1.00 1.74 O ATOM 1118 OE2 GLU A 70 6.020 -8.836 -7.583 1.00 1.91 O ATOM 0 H GLU A 70 5.557 -9.799 -2.664 1.00 0.52 H new ATOM 0 HA GLU A 70 7.554 -10.251 -4.639 1.00 0.53 H new ATOM 0 HB2 GLU A 70 6.268 -7.730 -3.527 1.00 0.64 H new ATOM 0 HB3 GLU A 70 7.347 -7.746 -4.908 1.00 0.64 H new ATOM 0 HG2 GLU A 70 4.700 -9.228 -4.717 1.00 1.19 H new ATOM 0 HG3 GLU A 70 4.970 -7.729 -5.584 1.00 1.19 H new ATOM 1125 N THR A 71 9.704 -9.368 -3.823 1.00 0.52 N ATOM 1126 CA THR A 71 11.028 -9.147 -3.265 1.00 0.53 C ATOM 1127 C THR A 71 11.812 -8.112 -4.060 1.00 0.61 C ATOM 1128 O THR A 71 11.579 -7.913 -5.253 1.00 0.70 O ATOM 1129 CB THR A 71 11.848 -10.455 -3.242 1.00 0.54 C ATOM 1130 OG1 THR A 71 11.798 -11.100 -4.524 1.00 1.06 O ATOM 1131 CG2 THR A 71 11.343 -11.410 -2.179 1.00 0.91 C ATOM 0 H THR A 71 9.706 -9.643 -4.805 1.00 0.52 H new ATOM 0 HA THR A 71 10.874 -8.783 -2.249 1.00 0.53 H new ATOM 0 HB THR A 71 12.878 -10.189 -3.006 1.00 0.54 H new ATOM 0 HG1 THR A 71 12.323 -11.927 -4.495 1.00 1.06 H new ATOM 0 HG21 THR A 71 11.944 -12.319 -2.192 1.00 0.91 H new ATOM 0 HG22 THR A 71 11.420 -10.938 -1.200 1.00 0.91 H new ATOM 0 HG23 THR A 71 10.301 -11.660 -2.380 1.00 0.91 H new ATOM 1139 N PHE A 72 12.746 -7.462 -3.392 1.00 0.63 N ATOM 1140 CA PHE A 72 13.684 -6.581 -4.058 1.00 0.72 C ATOM 1141 C PHE A 72 15.086 -6.893 -3.561 1.00 0.70 C ATOM 1142 O PHE A 72 15.269 -7.284 -2.404 1.00 0.66 O ATOM 1143 CB PHE A 72 13.330 -5.102 -3.829 1.00 0.84 C ATOM 1144 CG PHE A 72 13.416 -4.653 -2.399 1.00 0.56 C ATOM 1145 CD1 PHE A 72 12.360 -4.863 -1.529 1.00 0.85 C ATOM 1146 CD2 PHE A 72 14.552 -4.012 -1.930 1.00 0.55 C ATOM 1147 CE1 PHE A 72 12.436 -4.445 -0.216 1.00 1.33 C ATOM 1148 CE2 PHE A 72 14.633 -3.591 -0.618 1.00 0.79 C ATOM 1149 CZ PHE A 72 13.573 -3.807 0.239 1.00 1.27 C ATOM 0 H PHE A 72 12.875 -7.529 -2.382 1.00 0.63 H new ATOM 0 HA PHE A 72 13.632 -6.752 -5.133 1.00 0.72 H new ATOM 0 HB2 PHE A 72 13.997 -4.485 -4.431 1.00 0.84 H new ATOM 0 HB3 PHE A 72 12.318 -4.924 -4.192 1.00 0.84 H new ATOM 0 HD1 PHE A 72 11.468 -5.359 -1.881 1.00 0.85 H new ATOM 0 HD2 PHE A 72 15.383 -3.840 -2.598 1.00 0.55 H new ATOM 0 HE1 PHE A 72 11.607 -4.617 0.455 1.00 1.33 H new ATOM 0 HE2 PHE A 72 15.524 -3.094 -0.263 1.00 0.79 H new ATOM 0 HZ PHE A 72 13.633 -3.477 1.266 1.00 1.27 H new ATOM 1159 N GLU A 73 16.069 -6.756 -4.434 1.00 0.81 N ATOM 1160 CA GLU A 73 17.433 -7.090 -4.078 1.00 0.85 C ATOM 1161 C GLU A 73 18.179 -5.849 -3.614 1.00 0.87 C ATOM 1162 O GLU A 73 18.533 -4.981 -4.416 1.00 0.95 O ATOM 1163 CB GLU A 73 18.158 -7.728 -5.263 1.00 1.02 C ATOM 1164 CG GLU A 73 19.507 -8.317 -4.899 1.00 1.12 C ATOM 1165 CD GLU A 73 20.230 -8.893 -6.094 1.00 1.45 C ATOM 1166 OE1 GLU A 73 19.977 -10.068 -6.441 1.00 2.00 O ATOM 1167 OE2 GLU A 73 21.055 -8.174 -6.694 1.00 1.58 O ATOM 0 H GLU A 73 15.947 -6.418 -5.389 1.00 0.81 H new ATOM 0 HA GLU A 73 17.406 -7.810 -3.260 1.00 0.85 H new ATOM 0 HB2 GLU A 73 17.529 -8.513 -5.684 1.00 1.02 H new ATOM 0 HB3 GLU A 73 18.296 -6.978 -6.042 1.00 1.02 H new ATOM 0 HG2 GLU A 73 20.126 -7.544 -4.442 1.00 1.12 H new ATOM 0 HG3 GLU A 73 19.369 -9.098 -4.151 1.00 1.12 H new ATOM 1174 N HIS A 74 18.417 -5.775 -2.318 1.00 0.85 N ATOM 1175 CA HIS A 74 19.163 -4.677 -1.735 1.00 0.94 C ATOM 1176 C HIS A 74 20.474 -5.207 -1.174 1.00 1.04 C ATOM 1177 O HIS A 74 20.469 -6.049 -0.280 1.00 1.03 O ATOM 1178 CB HIS A 74 18.340 -3.993 -0.634 1.00 0.95 C ATOM 1179 CG HIS A 74 18.967 -2.741 -0.092 1.00 1.21 C ATOM 1180 ND1 HIS A 74 18.564 -1.497 -0.513 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.958 -2.597 0.822 1.00 1.63 C ATOM 1182 CE1 HIS A 74 19.313 -0.631 0.148 1.00 1.89 C ATOM 1183 NE2 HIS A 74 20.173 -1.250 0.969 1.00 1.71 N ATOM 0 H HIS A 74 18.100 -6.471 -1.643 1.00 0.85 H new ATOM 0 HA HIS A 74 19.375 -3.934 -2.504 1.00 0.94 H new ATOM 0 HB2 HIS A 74 17.353 -3.751 -1.029 1.00 0.95 H new ATOM 0 HB3 HIS A 74 18.192 -4.697 0.185 1.00 0.95 H new ATOM 0 HD2 HIS A 74 20.479 -3.391 1.336 1.00 1.63 H new ATOM 0 HE1 HIS A 74 19.241 0.441 0.040 1.00 1.89 H new ATOM 0 HE2 HIS A 74 20.855 -0.806 1.584 1.00 1.71 H new ATOM 1191 N ASP A 75 21.586 -4.737 -1.735 1.00 1.23 N ATOM 1192 CA ASP A 75 22.928 -5.160 -1.314 1.00 1.40 C ATOM 1193 C ASP A 75 23.161 -6.623 -1.680 1.00 1.35 C ATOM 1194 O ASP A 75 23.921 -7.331 -1.021 1.00 1.42 O ATOM 1195 CB ASP A 75 23.122 -4.970 0.198 1.00 1.50 C ATOM 1196 CG ASP A 75 24.580 -4.796 0.582 1.00 1.87 C ATOM 1197 OD1 ASP A 75 25.094 -3.660 0.476 1.00 2.37 O ATOM 1198 OD2 ASP A 75 25.221 -5.784 0.993 1.00 2.24 O ATOM 0 H ASP A 75 21.587 -4.054 -2.492 1.00 1.23 H new ATOM 0 HA ASP A 75 23.653 -4.536 -1.837 1.00 1.40 H new ATOM 0 HB2 ASP A 75 22.557 -4.098 0.526 1.00 1.50 H new ATOM 0 HB3 ASP A 75 22.712 -5.832 0.724 1.00 1.50 H new ATOM 1203 N GLY A 76 22.489 -7.075 -2.730 1.00 1.31 N ATOM 1204 CA GLY A 76 22.577 -8.468 -3.125 1.00 1.35 C ATOM 1205 C GLY A 76 21.718 -9.355 -2.246 1.00 1.18 C ATOM 1206 O GLY A 76 21.715 -10.578 -2.385 1.00 1.26 O ATOM 0 H GLY A 76 21.883 -6.501 -3.317 1.00 1.31 H new ATOM 0 HA2 GLY A 76 22.264 -8.572 -4.164 1.00 1.35 H new ATOM 0 HA3 GLY A 76 23.615 -8.797 -3.070 1.00 1.35 H new ATOM 1210 N LYS A 77 20.983 -8.724 -1.343 1.00 1.01 N ATOM 1211 CA LYS A 77 20.134 -9.424 -0.398 1.00 0.88 C ATOM 1212 C LYS A 77 18.669 -9.263 -0.786 1.00 0.78 C ATOM 1213 O LYS A 77 18.177 -8.147 -0.938 1.00 0.79 O ATOM 1214 CB LYS A 77 20.391 -8.867 1.001 1.00 0.93 C ATOM 1215 CG LYS A 77 19.485 -9.415 2.085 1.00 1.19 C ATOM 1216 CD LYS A 77 19.745 -10.890 2.342 1.00 1.33 C ATOM 1217 CE LYS A 77 18.879 -11.422 3.472 1.00 2.02 C ATOM 1218 NZ LYS A 77 19.140 -10.713 4.753 1.00 2.54 N ATOM 0 H LYS A 77 20.960 -7.709 -1.247 1.00 1.01 H new ATOM 0 HA LYS A 77 20.366 -10.489 -0.409 1.00 0.88 H new ATOM 0 HB2 LYS A 77 21.426 -9.075 1.274 1.00 0.93 H new ATOM 0 HB3 LYS A 77 20.281 -7.783 0.970 1.00 0.93 H new ATOM 0 HG2 LYS A 77 19.638 -8.853 3.006 1.00 1.19 H new ATOM 0 HG3 LYS A 77 18.444 -9.274 1.795 1.00 1.19 H new ATOM 0 HD2 LYS A 77 19.548 -11.459 1.433 1.00 1.33 H new ATOM 0 HD3 LYS A 77 20.797 -11.037 2.588 1.00 1.33 H new ATOM 0 HE2 LYS A 77 17.828 -11.314 3.205 1.00 2.02 H new ATOM 0 HE3 LYS A 77 19.067 -12.488 3.602 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 18.732 -11.257 5.540 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 20.166 -10.617 4.894 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 18.705 -9.769 4.722 1.00 2.54 H new ATOM 1232 N LYS A 78 17.981 -10.377 -0.958 1.00 0.74 N ATOM 1233 CA LYS A 78 16.593 -10.347 -1.387 1.00 0.72 C ATOM 1234 C LYS A 78 15.646 -10.420 -0.199 1.00 0.64 C ATOM 1235 O LYS A 78 15.573 -11.439 0.493 1.00 0.78 O ATOM 1236 CB LYS A 78 16.309 -11.501 -2.342 1.00 0.81 C ATOM 1237 CG LYS A 78 17.130 -11.450 -3.614 1.00 0.92 C ATOM 1238 CD LYS A 78 16.826 -12.646 -4.500 1.00 1.05 C ATOM 1239 CE LYS A 78 17.499 -12.539 -5.857 1.00 1.73 C ATOM 1240 NZ LYS A 78 18.977 -12.429 -5.742 1.00 2.52 N ATOM 0 H LYS A 78 18.359 -11.312 -0.808 1.00 0.74 H new ATOM 0 HA LYS A 78 16.425 -9.401 -1.902 1.00 0.72 H new ATOM 0 HB2 LYS A 78 16.506 -12.443 -1.830 1.00 0.81 H new ATOM 0 HB3 LYS A 78 15.250 -11.495 -2.602 1.00 0.81 H new ATOM 0 HG2 LYS A 78 16.916 -10.528 -4.154 1.00 0.92 H new ATOM 0 HG3 LYS A 78 18.191 -11.435 -3.367 1.00 0.92 H new ATOM 0 HD2 LYS A 78 17.157 -13.558 -4.003 1.00 1.05 H new ATOM 0 HD3 LYS A 78 15.748 -12.731 -4.636 1.00 1.05 H new ATOM 0 HE2 LYS A 78 17.247 -13.414 -6.456 1.00 1.73 H new ATOM 0 HE3 LYS A 78 17.111 -11.668 -6.386 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 19.424 -12.897 -6.556 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 19.250 -11.426 -5.727 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 19.292 -12.887 -4.863 1.00 2.52 H new ATOM 1254 N VAL A 79 14.932 -9.332 0.033 1.00 0.53 N ATOM 1255 CA VAL A 79 13.923 -9.275 1.078 1.00 0.49 C ATOM 1256 C VAL A 79 12.593 -8.840 0.480 1.00 0.43 C ATOM 1257 O VAL A 79 12.563 -8.137 -0.535 1.00 0.45 O ATOM 1258 CB VAL A 79 14.327 -8.309 2.216 1.00 0.57 C ATOM 1259 CG1 VAL A 79 15.525 -8.851 2.983 1.00 1.31 C ATOM 1260 CG2 VAL A 79 14.632 -6.922 1.668 1.00 1.38 C ATOM 0 H VAL A 79 15.034 -8.466 -0.495 1.00 0.53 H new ATOM 0 HA VAL A 79 13.830 -10.272 1.508 1.00 0.49 H new ATOM 0 HB VAL A 79 13.485 -8.228 2.903 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.792 -8.156 3.779 1.00 1.31 H new ATOM 0 HG12 VAL A 79 15.272 -9.819 3.416 1.00 1.31 H new ATOM 0 HG13 VAL A 79 16.370 -8.967 2.304 1.00 1.31 H new ATOM 0 HG21 VAL A 79 14.914 -6.261 2.488 1.00 1.38 H new ATOM 0 HG22 VAL A 79 15.453 -6.985 0.954 1.00 1.38 H new ATOM 0 HG23 VAL A 79 13.748 -6.525 1.169 1.00 1.38 H new ATOM 1270 N THR A 80 11.498 -9.280 1.082 1.00 0.42 N ATOM 1271 CA THR A 80 10.179 -8.926 0.591 1.00 0.40 C ATOM 1272 C THR A 80 9.835 -7.489 0.960 1.00 0.39 C ATOM 1273 O THR A 80 10.463 -6.912 1.851 1.00 0.42 O ATOM 1274 CB THR A 80 9.087 -9.869 1.137 1.00 0.42 C ATOM 1275 OG1 THR A 80 9.125 -9.899 2.572 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.264 -11.277 0.595 1.00 0.45 C ATOM 0 H THR A 80 11.498 -9.880 1.907 1.00 0.42 H new ATOM 0 HA THR A 80 10.208 -9.029 -0.494 1.00 0.40 H new ATOM 0 HB THR A 80 8.120 -9.487 0.809 1.00 0.42 H new ATOM 0 HG1 THR A 80 8.426 -10.500 2.905 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.482 -11.922 0.995 1.00 0.45 H new ATOM 0 HG22 THR A 80 9.198 -11.259 -0.493 1.00 0.45 H new ATOM 0 HG23 THR A 80 10.239 -11.662 0.893 1.00 0.45 H new ATOM 1284 N ILE A 81 8.850 -6.914 0.284 1.00 0.40 N ATOM 1285 CA ILE A 81 8.422 -5.548 0.573 1.00 0.40 C ATOM 1286 C ILE A 81 8.058 -5.406 2.052 1.00 0.36 C ATOM 1287 O ILE A 81 8.433 -4.432 2.713 1.00 0.37 O ATOM 1288 CB ILE A 81 7.209 -5.143 -0.299 1.00 0.44 C ATOM 1289 CG1 ILE A 81 7.521 -5.356 -1.786 1.00 0.60 C ATOM 1290 CG2 ILE A 81 6.819 -3.694 -0.039 1.00 0.48 C ATOM 1291 CD1 ILE A 81 8.694 -4.537 -2.291 1.00 0.81 C ATOM 0 H ILE A 81 8.332 -7.369 -0.467 1.00 0.40 H new ATOM 0 HA ILE A 81 9.254 -4.884 0.338 1.00 0.40 H new ATOM 0 HB ILE A 81 6.366 -5.778 -0.028 1.00 0.44 H new ATOM 0 HG12 ILE A 81 7.728 -6.413 -1.956 1.00 0.60 H new ATOM 0 HG13 ILE A 81 6.637 -5.106 -2.372 1.00 0.60 H new ATOM 0 HG21 ILE A 81 5.964 -3.430 -0.662 1.00 0.48 H new ATOM 0 HG22 ILE A 81 6.554 -3.571 1.011 1.00 0.48 H new ATOM 0 HG23 ILE A 81 7.659 -3.042 -0.280 1.00 0.48 H new ATOM 0 HD11 ILE A 81 8.852 -4.742 -3.350 1.00 0.81 H new ATOM 0 HD12 ILE A 81 8.483 -3.476 -2.155 1.00 0.81 H new ATOM 0 HD13 ILE A 81 9.591 -4.803 -1.732 1.00 0.81 H new ATOM 1303 N ALA A 82 7.365 -6.413 2.571 1.00 0.36 N ATOM 1304 CA ALA A 82 6.953 -6.431 3.970 1.00 0.39 C ATOM 1305 C ALA A 82 8.158 -6.470 4.907 1.00 0.41 C ATOM 1306 O ALA A 82 8.088 -5.978 6.031 1.00 0.43 O ATOM 1307 CB ALA A 82 6.037 -7.617 4.234 1.00 0.44 C ATOM 0 H ALA A 82 7.075 -7.234 2.039 1.00 0.36 H new ATOM 0 HA ALA A 82 6.407 -5.509 4.170 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.737 -7.619 5.282 1.00 0.44 H new ATOM 0 HB2 ALA A 82 5.152 -7.540 3.603 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.566 -8.543 4.007 1.00 0.44 H new ATOM 1313 N SER A 83 9.261 -7.044 4.439 1.00 0.46 N ATOM 1314 CA SER A 83 10.479 -7.124 5.236 1.00 0.54 C ATOM 1315 C SER A 83 11.151 -5.757 5.312 1.00 0.53 C ATOM 1316 O SER A 83 11.778 -5.415 6.313 1.00 0.56 O ATOM 1317 CB SER A 83 11.440 -8.153 4.636 1.00 0.67 C ATOM 1318 OG SER A 83 10.827 -9.429 4.537 1.00 1.08 O ATOM 0 H SER A 83 9.336 -7.461 3.511 1.00 0.46 H new ATOM 0 HA SER A 83 10.215 -7.441 6.245 1.00 0.54 H new ATOM 0 HB2 SER A 83 11.761 -7.823 3.648 1.00 0.67 H new ATOM 0 HB3 SER A 83 12.335 -8.223 5.254 1.00 0.67 H new ATOM 0 HG SER A 83 10.062 -9.378 3.927 1.00 1.08 H new ATOM 1324 N TYR A 84 11.000 -4.977 4.249 1.00 0.51 N ATOM 1325 CA TYR A 84 11.554 -3.633 4.194 1.00 0.55 C ATOM 1326 C TYR A 84 10.906 -2.754 5.259 1.00 0.53 C ATOM 1327 O TYR A 84 11.592 -2.069 6.021 1.00 0.57 O ATOM 1328 CB TYR A 84 11.331 -3.037 2.803 1.00 0.58 C ATOM 1329 CG TYR A 84 11.858 -1.628 2.639 1.00 0.64 C ATOM 1330 CD1 TYR A 84 13.217 -1.361 2.741 1.00 0.74 C ATOM 1331 CD2 TYR A 84 10.997 -0.565 2.397 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.702 -0.074 2.604 1.00 0.81 C ATOM 1333 CE2 TYR A 84 11.473 0.723 2.257 1.00 0.71 C ATOM 1334 CZ TYR A 84 12.826 0.960 2.316 1.00 0.80 C ATOM 1335 OH TYR A 84 13.306 2.245 2.218 1.00 0.88 O ATOM 0 H TYR A 84 10.494 -5.256 3.408 1.00 0.51 H new ATOM 0 HA TYR A 84 12.625 -3.680 4.389 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.809 -3.680 2.064 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.263 -3.041 2.586 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.905 -2.171 2.930 1.00 0.74 H new ATOM 0 HD2 TYR A 84 9.936 -0.750 2.317 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.757 0.124 2.721 1.00 0.81 H new ATOM 0 HE2 TYR A 84 10.785 1.541 2.102 1.00 0.71 H new ATOM 0 HH TYR A 84 12.568 2.855 2.011 1.00 0.88 H new ATOM 1345 N PHE A 85 9.582 -2.793 5.315 1.00 0.48 N ATOM 1346 CA PHE A 85 8.844 -2.057 6.331 1.00 0.48 C ATOM 1347 C PHE A 85 9.103 -2.644 7.713 1.00 0.51 C ATOM 1348 O PHE A 85 9.233 -1.912 8.691 1.00 0.59 O ATOM 1349 CB PHE A 85 7.347 -2.053 6.020 1.00 0.48 C ATOM 1350 CG PHE A 85 6.996 -1.224 4.816 1.00 0.51 C ATOM 1351 CD1 PHE A 85 6.723 0.128 4.941 1.00 0.87 C ATOM 1352 CD2 PHE A 85 6.932 -1.803 3.558 1.00 0.57 C ATOM 1353 CE1 PHE A 85 6.395 0.887 3.836 1.00 0.94 C ATOM 1354 CE2 PHE A 85 6.604 -1.047 2.448 1.00 0.65 C ATOM 1355 CZ PHE A 85 6.356 0.316 2.593 1.00 0.70 C ATOM 0 H PHE A 85 8.998 -3.325 4.670 1.00 0.48 H new ATOM 0 HA PHE A 85 9.195 -1.025 6.325 1.00 0.48 H new ATOM 0 HB2 PHE A 85 7.013 -3.078 5.858 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.803 -1.674 6.885 1.00 0.48 H new ATOM 0 HD1 PHE A 85 6.767 0.594 5.914 1.00 0.87 H new ATOM 0 HD2 PHE A 85 7.141 -2.856 3.444 1.00 0.57 H new ATOM 0 HE1 PHE A 85 6.168 1.936 3.953 1.00 0.94 H new ATOM 0 HE2 PHE A 85 6.540 -1.510 1.474 1.00 0.65 H new ATOM 0 HZ PHE A 85 6.133 0.921 1.726 1.00 0.70 H new ATOM 1365 N HIS A 86 9.200 -3.969 7.779 1.00 0.49 N ATOM 1366 CA HIS A 86 9.455 -4.667 9.037 1.00 0.54 C ATOM 1367 C HIS A 86 10.784 -4.219 9.647 1.00 0.57 C ATOM 1368 O HIS A 86 10.911 -4.107 10.869 1.00 0.62 O ATOM 1369 CB HIS A 86 9.458 -6.183 8.811 1.00 0.57 C ATOM 1370 CG HIS A 86 9.546 -6.988 10.073 1.00 0.63 C ATOM 1371 ND1 HIS A 86 10.692 -7.659 10.416 1.00 0.96 N ATOM 1372 CD2 HIS A 86 8.607 -7.202 11.022 1.00 0.74 C ATOM 1373 CE1 HIS A 86 10.429 -8.264 11.559 1.00 0.98 C ATOM 1374 NE2 HIS A 86 9.176 -8.017 11.968 1.00 0.79 N ATOM 0 H HIS A 86 9.105 -4.585 6.971 1.00 0.49 H new ATOM 0 HA HIS A 86 8.657 -4.417 9.736 1.00 0.54 H new ATOM 0 HB2 HIS A 86 8.550 -6.462 8.277 1.00 0.57 H new ATOM 0 HB3 HIS A 86 10.299 -6.442 8.167 1.00 0.57 H new ATOM 0 HD2 HIS A 86 7.602 -6.807 11.033 1.00 0.74 H new ATOM 0 HE1 HIS A 86 11.134 -8.880 12.097 1.00 0.98 H new ATOM 0 HE2 HIS A 86 8.732 -8.367 12.817 1.00 0.79 H new ATOM 1382 N SER A 87 11.763 -3.947 8.788 1.00 0.57 N ATOM 1383 CA SER A 87 13.065 -3.459 9.229 1.00 0.65 C ATOM 1384 C SER A 87 12.926 -2.088 9.899 1.00 0.67 C ATOM 1385 O SER A 87 13.748 -1.701 10.730 1.00 0.75 O ATOM 1386 CB SER A 87 14.029 -3.383 8.036 1.00 0.68 C ATOM 1387 OG SER A 87 15.348 -3.060 8.452 1.00 1.36 O ATOM 0 H SER A 87 11.677 -4.057 7.778 1.00 0.57 H new ATOM 0 HA SER A 87 13.471 -4.156 9.962 1.00 0.65 H new ATOM 0 HB2 SER A 87 14.036 -4.338 7.511 1.00 0.68 H new ATOM 0 HB3 SER A 87 13.676 -2.633 7.329 1.00 0.68 H new ATOM 0 HG SER A 87 15.937 -3.021 7.670 1.00 1.36 H new ATOM 1393 N ARG A 88 11.879 -1.359 9.530 1.00 0.61 N ATOM 1394 CA ARG A 88 11.577 -0.066 10.135 1.00 0.67 C ATOM 1395 C ARG A 88 10.604 -0.221 11.290 1.00 0.64 C ATOM 1396 O ARG A 88 9.828 0.691 11.594 1.00 0.70 O ATOM 1397 CB ARG A 88 11.034 0.903 9.083 1.00 0.74 C ATOM 1398 CG ARG A 88 12.121 1.702 8.381 1.00 0.92 C ATOM 1399 CD ARG A 88 13.200 0.809 7.791 1.00 0.97 C ATOM 1400 NE ARG A 88 14.317 1.581 7.255 1.00 1.13 N ATOM 1401 CZ ARG A 88 15.599 1.270 7.454 1.00 1.42 C ATOM 1402 NH1 ARG A 88 15.926 0.217 8.190 1.00 1.76 N ATOM 1403 NH2 ARG A 88 16.555 2.016 6.916 1.00 2.11 N ATOM 0 H ARG A 88 11.219 -1.645 8.807 1.00 0.61 H new ATOM 0 HA ARG A 88 12.502 0.350 10.535 1.00 0.67 H new ATOM 0 HB2 ARG A 88 10.469 0.341 8.340 1.00 0.74 H new ATOM 0 HB3 ARG A 88 10.337 1.592 9.560 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.674 2.301 7.588 1.00 0.92 H new ATOM 0 HG3 ARG A 88 12.574 2.396 9.089 1.00 0.92 H new ATOM 0 HD2 ARG A 88 13.566 0.127 8.559 1.00 0.97 H new ATOM 0 HD3 ARG A 88 12.770 0.196 6.999 1.00 0.97 H new ATOM 0 HE ARG A 88 14.105 2.407 6.695 1.00 1.13 H new ATOM 0 HH11 ARG A 88 15.196 -0.360 8.607 1.00 1.76 H new ATOM 0 HH12 ARG A 88 16.908 -0.016 8.339 1.00 1.76 H new ATOM 0 HH21 ARG A 88 16.310 2.828 6.350 1.00 2.11 H new ATOM 0 HH22 ARG A 88 17.535 1.777 7.069 1.00 2.11 H new ATOM 1417 N ASN A 89 10.654 -1.393 11.921 1.00 0.61 N ATOM 1418 CA ASN A 89 9.845 -1.688 13.098 1.00 0.63 C ATOM 1419 C ASN A 89 8.371 -1.676 12.735 1.00 0.66 C ATOM 1420 O ASN A 89 7.527 -1.210 13.505 1.00 0.83 O ATOM 1421 CB ASN A 89 10.117 -0.677 14.219 1.00 0.70 C ATOM 1422 CG ASN A 89 11.562 -0.669 14.679 1.00 1.30 C ATOM 1423 OD1 ASN A 89 12.263 -1.683 14.611 1.00 2.07 O ATOM 1424 ND2 ASN A 89 12.016 0.482 15.150 1.00 1.91 N ATOM 0 H ASN A 89 11.256 -2.163 11.630 1.00 0.61 H new ATOM 0 HA ASN A 89 10.118 -2.680 13.458 1.00 0.63 H new ATOM 0 HB2 ASN A 89 9.847 0.321 13.873 1.00 0.70 H new ATOM 0 HB3 ASN A 89 9.473 -0.905 15.069 1.00 0.70 H new ATOM 0 HD21 ASN A 89 12.980 0.555 15.475 1.00 1.91 H new ATOM 0 HD22 ASN A 89 11.402 1.295 15.188 1.00 1.91 H new ATOM 1431 N TYR A 90 8.061 -2.182 11.552 1.00 0.56 N ATOM 1432 CA TYR A 90 6.699 -2.153 11.073 1.00 0.64 C ATOM 1433 C TYR A 90 6.275 -3.502 10.511 1.00 0.59 C ATOM 1434 O TYR A 90 6.352 -3.738 9.304 1.00 0.57 O ATOM 1435 CB TYR A 90 6.537 -1.063 10.021 1.00 0.76 C ATOM 1436 CG TYR A 90 5.288 -0.263 10.223 1.00 1.02 C ATOM 1437 CD1 TYR A 90 4.090 -0.662 9.658 1.00 1.04 C ATOM 1438 CD2 TYR A 90 5.308 0.880 11.004 1.00 1.67 C ATOM 1439 CE1 TYR A 90 2.932 0.058 9.867 1.00 1.39 C ATOM 1440 CE2 TYR A 90 4.155 1.613 11.217 1.00 2.09 C ATOM 1441 CZ TYR A 90 2.969 1.195 10.645 1.00 1.94 C ATOM 1442 OH TYR A 90 1.811 1.910 10.859 1.00 2.32 O ATOM 0 H TYR A 90 8.731 -2.613 10.915 1.00 0.56 H new ATOM 0 HA TYR A 90 6.050 -1.931 11.920 1.00 0.64 H new ATOM 0 HB2 TYR A 90 7.401 -0.399 10.052 1.00 0.76 H new ATOM 0 HB3 TYR A 90 6.520 -1.517 9.030 1.00 0.76 H new ATOM 0 HD1 TYR A 90 4.061 -1.550 9.044 1.00 1.04 H new ATOM 0 HD2 TYR A 90 6.236 1.203 11.453 1.00 1.67 H new ATOM 0 HE1 TYR A 90 2.002 -0.267 9.424 1.00 1.39 H new ATOM 0 HE2 TYR A 90 4.181 2.505 11.825 1.00 2.09 H new ATOM 0 HH TYR A 90 2.005 2.683 11.429 1.00 2.32 H new ATOM 1452 N PRO A 91 5.839 -4.415 11.387 1.00 0.61 N ATOM 1453 CA PRO A 91 5.258 -5.681 10.967 1.00 0.62 C ATOM 1454 C PRO A 91 3.831 -5.485 10.463 1.00 0.65 C ATOM 1455 O PRO A 91 2.954 -5.032 11.206 1.00 0.86 O ATOM 1456 CB PRO A 91 5.279 -6.524 12.243 1.00 0.68 C ATOM 1457 CG PRO A 91 5.208 -5.537 13.356 1.00 0.72 C ATOM 1458 CD PRO A 91 5.882 -4.285 12.857 1.00 0.69 C ATOM 0 HA PRO A 91 5.800 -6.146 10.144 1.00 0.62 H new ATOM 0 HB2 PRO A 91 4.437 -7.215 12.274 1.00 0.68 H new ATOM 0 HB3 PRO A 91 6.187 -7.124 12.305 1.00 0.68 H new ATOM 0 HG2 PRO A 91 4.173 -5.337 13.633 1.00 0.72 H new ATOM 0 HG3 PRO A 91 5.708 -5.919 14.246 1.00 0.72 H new ATOM 0 HD2 PRO A 91 5.359 -3.390 13.194 1.00 0.69 H new ATOM 0 HD3 PRO A 91 6.907 -4.212 13.221 1.00 0.69 H new ATOM 1466 N LEU A 92 3.608 -5.799 9.196 1.00 0.53 N ATOM 1467 CA LEU A 92 2.293 -5.626 8.594 1.00 0.55 C ATOM 1468 C LEU A 92 1.266 -6.501 9.296 1.00 0.56 C ATOM 1469 O LEU A 92 1.523 -7.671 9.588 1.00 0.59 O ATOM 1470 CB LEU A 92 2.330 -5.961 7.099 1.00 0.59 C ATOM 1471 CG LEU A 92 3.171 -5.015 6.239 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.097 -5.421 4.775 1.00 0.65 C ATOM 1473 CD2 LEU A 92 2.710 -3.576 6.415 1.00 0.62 C ATOM 0 H LEU A 92 4.317 -6.174 8.566 1.00 0.53 H new ATOM 0 HA LEU A 92 2.005 -4.581 8.709 1.00 0.55 H new ATOM 0 HB2 LEU A 92 2.715 -6.974 6.980 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.309 -5.961 6.718 1.00 0.59 H new ATOM 0 HG LEU A 92 4.208 -5.085 6.567 1.00 0.57 H new ATOM 0 HD11 LEU A 92 3.701 -4.738 4.177 1.00 0.65 H new ATOM 0 HD12 LEU A 92 3.476 -6.436 4.659 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.061 -5.380 4.438 1.00 0.65 H new ATOM 0 HD21 LEU A 92 3.321 -2.920 5.795 1.00 0.62 H new ATOM 0 HD22 LEU A 92 1.666 -3.489 6.116 1.00 0.62 H new ATOM 0 HD23 LEU A 92 2.813 -3.286 7.461 1.00 0.62 H new ATOM 1485 N LYS A 93 0.108 -5.923 9.579 1.00 0.63 N ATOM 1486 CA LYS A 93 -0.959 -6.645 10.252 1.00 0.68 C ATOM 1487 C LYS A 93 -1.693 -7.501 9.239 1.00 0.61 C ATOM 1488 O LYS A 93 -2.312 -8.511 9.578 1.00 0.68 O ATOM 1489 CB LYS A 93 -1.938 -5.669 10.908 1.00 0.83 C ATOM 1490 CG LYS A 93 -1.264 -4.612 11.761 1.00 0.91 C ATOM 1491 CD LYS A 93 -2.272 -3.614 12.299 1.00 1.28 C ATOM 1492 CE LYS A 93 -1.581 -2.429 12.945 1.00 1.57 C ATOM 1493 NZ LYS A 93 -2.555 -1.454 13.503 1.00 2.22 N ATOM 0 H LYS A 93 -0.116 -4.954 9.352 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.528 -7.276 11.029 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -2.523 -5.177 10.131 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -2.638 -6.231 11.527 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -0.743 -5.089 12.591 1.00 0.91 H new ATOM 0 HG3 LYS A 93 -0.512 -4.090 11.170 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -2.912 -3.267 11.488 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -2.918 -4.103 13.028 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -0.924 -2.781 13.740 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -0.951 -1.931 12.208 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -2.042 -0.659 13.935 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -3.165 -1.098 12.740 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -3.140 -1.922 14.225 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.608 -7.080 7.989 1.00 0.52 N ATOM 1508 CA PHE A 94 -2.252 -7.775 6.897 1.00 0.50 C ATOM 1509 C PHE A 94 -1.245 -8.007 5.772 1.00 0.44 C ATOM 1510 O PHE A 94 -1.256 -7.309 4.763 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.446 -6.957 6.384 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.336 -6.441 7.482 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -5.367 -7.228 7.976 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.152 -5.174 8.011 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -6.198 -6.762 8.974 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -4.982 -4.700 9.010 1.00 0.78 C ATOM 1517 CZ PHE A 94 -5.952 -5.480 9.528 1.00 0.81 C ATOM 0 H PHE A 94 -1.091 -6.248 7.707 1.00 0.52 H new ATOM 0 HA PHE A 94 -2.618 -8.739 7.250 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -3.075 -6.114 5.801 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -4.037 -7.576 5.709 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -5.521 -8.218 7.574 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -3.352 -4.550 7.639 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -7.022 -7.364 9.327 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -4.852 -3.694 9.380 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.540 -5.129 10.363 1.00 0.81 H new ATOM 1527 N PRO A 95 -0.340 -8.986 5.943 1.00 0.48 N ATOM 1528 CA PRO A 95 0.657 -9.337 4.921 1.00 0.51 C ATOM 1529 C PRO A 95 0.007 -9.813 3.621 1.00 0.47 C ATOM 1530 O PRO A 95 0.658 -9.903 2.579 1.00 0.51 O ATOM 1531 CB PRO A 95 1.455 -10.479 5.562 1.00 0.64 C ATOM 1532 CG PRO A 95 1.179 -10.387 7.023 1.00 0.65 C ATOM 1533 CD PRO A 95 -0.201 -9.810 7.152 1.00 0.59 C ATOM 0 HA PRO A 95 1.269 -8.479 4.645 1.00 0.51 H new ATOM 0 HB2 PRO A 95 1.145 -11.445 5.164 1.00 0.64 H new ATOM 0 HB3 PRO A 95 2.521 -10.376 5.357 1.00 0.64 H new ATOM 0 HG2 PRO A 95 1.236 -11.369 7.493 1.00 0.65 H new ATOM 0 HG3 PRO A 95 1.914 -9.753 7.519 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -0.960 -10.591 7.196 1.00 0.59 H new ATOM 0 HD3 PRO A 95 -0.304 -9.214 8.059 1.00 0.59 H new ATOM 1541 N GLN A 96 -1.287 -10.094 3.692 1.00 0.45 N ATOM 1542 CA GLN A 96 -2.049 -10.576 2.547 1.00 0.44 C ATOM 1543 C GLN A 96 -2.574 -9.405 1.718 1.00 0.39 C ATOM 1544 O GLN A 96 -3.503 -9.559 0.923 1.00 0.43 O ATOM 1545 CB GLN A 96 -3.225 -11.433 3.027 1.00 0.53 C ATOM 1546 CG GLN A 96 -2.839 -12.486 4.056 1.00 1.06 C ATOM 1547 CD GLN A 96 -1.822 -13.479 3.533 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -0.614 -13.275 3.657 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -2.304 -14.560 2.950 1.00 2.31 N ATOM 0 H GLN A 96 -1.838 -9.994 4.544 1.00 0.45 H new ATOM 0 HA GLN A 96 -1.389 -11.179 1.923 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -3.986 -10.781 3.456 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -3.677 -11.927 2.167 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -2.435 -11.992 4.940 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -3.734 -13.023 4.372 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -3.313 -14.689 2.869 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -1.668 -15.267 2.581 1.00 2.31 H new ATOM 1558 N LEU A 97 -1.991 -8.233 1.926 1.00 0.44 N ATOM 1559 CA LEU A 97 -2.439 -7.027 1.249 1.00 0.54 C ATOM 1560 C LEU A 97 -1.875 -6.900 -0.152 1.00 0.63 C ATOM 1561 O LEU A 97 -0.658 -6.823 -0.346 1.00 1.25 O ATOM 1562 CB LEU A 97 -2.046 -5.782 2.027 1.00 0.69 C ATOM 1563 CG LEU A 97 -2.907 -5.465 3.238 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -2.423 -4.181 3.878 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -4.369 -5.356 2.841 1.00 1.35 C ATOM 0 H LEU A 97 -1.205 -8.093 2.560 1.00 0.44 H new ATOM 0 HA LEU A 97 -3.524 -7.112 1.188 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -1.013 -5.893 2.357 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -2.075 -4.928 1.350 1.00 0.69 H new ATOM 0 HG LEU A 97 -2.820 -6.275 3.962 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -3.040 -3.953 4.747 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -1.385 -4.299 4.191 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -2.495 -3.366 3.158 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -4.969 -5.129 3.722 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -4.488 -4.560 2.106 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -4.700 -6.301 2.410 1.00 1.35 H new ATOM 1577 N HIS A 98 -2.770 -6.859 -1.118 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.410 -6.460 -2.459 1.00 0.38 C ATOM 1579 C HIS A 98 -2.262 -4.947 -2.497 1.00 0.43 C ATOM 1580 O HIS A 98 -3.230 -4.201 -2.314 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.451 -6.945 -3.465 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.447 -8.430 -3.640 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -3.910 -9.269 -2.655 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -2.994 -9.170 -4.675 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -3.722 -10.496 -3.110 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.171 -10.486 -4.331 1.00 0.46 N ATOM 0 H HIS A 98 -3.754 -7.098 -0.997 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.460 -6.917 -2.737 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.441 -6.626 -3.138 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -3.266 -6.471 -4.429 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -2.573 -8.797 -5.597 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -3.980 -11.393 -2.566 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -2.930 -11.300 -4.896 1.00 0.46 H new ATOM 1594 N CYS A 99 -1.038 -4.506 -2.700 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.687 -3.108 -2.542 1.00 0.56 C ATOM 1596 C CYS A 99 -0.978 -2.286 -3.795 1.00 0.41 C ATOM 1597 O CYS A 99 -1.239 -2.831 -4.875 1.00 0.38 O ATOM 1598 CB CYS A 99 0.785 -3.013 -2.167 1.00 0.76 C ATOM 1599 SG CYS A 99 1.194 -3.908 -0.650 1.00 1.19 S ATOM 0 H CYS A 99 -0.260 -5.104 -2.978 1.00 0.50 H new ATOM 0 HA CYS A 99 -1.306 -2.687 -1.750 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.388 -3.405 -2.986 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.055 -1.964 -2.046 1.00 0.76 H new ATOM 0 HG CYS A 99 0.476 -4.989 -0.577 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.926 -0.966 -3.624 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.225 -0.019 -4.687 1.00 0.39 C ATOM 1607 C LEU A 100 -0.135 -0.045 -5.724 1.00 0.28 C ATOM 1608 O LEU A 100 1.019 0.178 -5.397 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.305 1.409 -4.140 1.00 0.58 C ATOM 1610 CG LEU A 100 -2.263 1.626 -2.979 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -2.034 2.991 -2.360 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -3.691 1.508 -3.456 1.00 0.93 C ATOM 0 H LEU A 100 -0.674 -0.526 -2.739 1.00 0.43 H new ATOM 0 HA LEU A 100 -2.182 -0.307 -5.122 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -0.307 1.712 -3.823 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -1.596 2.073 -4.954 1.00 0.58 H new ATOM 0 HG LEU A 100 -2.078 0.862 -2.224 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -2.726 3.135 -1.530 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -1.009 3.057 -1.994 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -2.202 3.764 -3.110 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -4.369 1.665 -2.617 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -3.882 2.259 -4.222 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -3.854 0.514 -3.873 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.481 -0.306 -6.958 1.00 0.29 N ATOM 1625 CA ASN A 101 0.475 -0.125 -8.022 1.00 0.29 C ATOM 1626 C ASN A 101 0.450 1.334 -8.408 1.00 0.29 C ATOM 1627 O ASN A 101 -0.358 1.773 -9.238 1.00 0.37 O ATOM 1628 CB ASN A 101 0.161 -1.015 -9.228 1.00 0.34 C ATOM 1629 CG ASN A 101 1.219 -0.922 -10.312 1.00 0.46 C ATOM 1630 OD1 ASN A 101 2.404 -0.761 -10.029 1.00 1.34 O ATOM 1631 ND2 ASN A 101 0.798 -1.010 -11.566 1.00 0.83 N ATOM 0 H ASN A 101 -1.400 -0.639 -7.249 1.00 0.29 H new ATOM 0 HA ASN A 101 1.468 -0.417 -7.679 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.074 -2.050 -8.898 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.806 -0.730 -9.643 1.00 0.34 H new ATOM 0 HD21 ASN A 101 1.466 -0.944 -12.334 1.00 0.83 H new ATOM 0 HD22 ASN A 101 -0.194 -1.144 -11.763 1.00 0.83 H new ATOM 1638 N VAL A 102 1.297 2.084 -7.741 1.00 0.28 N ATOM 1639 CA VAL A 102 1.340 3.510 -7.904 1.00 0.30 C ATOM 1640 C VAL A 102 2.667 3.913 -8.543 1.00 0.31 C ATOM 1641 O VAL A 102 3.399 3.070 -9.061 1.00 0.35 O ATOM 1642 CB VAL A 102 1.132 4.224 -6.545 1.00 0.32 C ATOM 1643 CG1 VAL A 102 2.420 4.340 -5.745 1.00 0.86 C ATOM 1644 CG2 VAL A 102 0.468 5.561 -6.757 1.00 0.91 C ATOM 0 H VAL A 102 1.974 1.718 -7.071 1.00 0.28 H new ATOM 0 HA VAL A 102 0.528 3.819 -8.563 1.00 0.30 H new ATOM 0 HB VAL A 102 0.467 3.607 -5.941 1.00 0.32 H new ATOM 0 HG11 VAL A 102 2.218 4.848 -4.802 1.00 0.86 H new ATOM 0 HG12 VAL A 102 2.814 3.344 -5.544 1.00 0.86 H new ATOM 0 HG13 VAL A 102 3.152 4.911 -6.315 1.00 0.86 H new ATOM 0 HG21 VAL A 102 0.327 6.054 -5.795 1.00 0.91 H new ATOM 0 HG22 VAL A 102 1.097 6.183 -7.394 1.00 0.91 H new ATOM 0 HG23 VAL A 102 -0.500 5.415 -7.235 1.00 0.91 H new ATOM 1654 N GLY A 103 2.962 5.189 -8.490 1.00 0.35 N ATOM 1655 CA GLY A 103 4.169 5.711 -9.081 1.00 0.41 C ATOM 1656 C GLY A 103 3.965 6.117 -10.524 1.00 0.48 C ATOM 1657 O GLY A 103 2.890 6.592 -10.902 1.00 0.65 O ATOM 0 H GLY A 103 2.376 5.891 -8.039 1.00 0.35 H new ATOM 0 HA2 GLY A 103 4.510 6.572 -8.507 1.00 0.41 H new ATOM 0 HA3 GLY A 103 4.955 4.958 -9.024 1.00 0.41 H new ATOM 1661 N SER A 104 4.991 5.925 -11.328 1.00 0.78 N ATOM 1662 CA SER A 104 4.937 6.259 -12.739 1.00 0.88 C ATOM 1663 C SER A 104 5.387 5.055 -13.553 1.00 1.00 C ATOM 1664 O SER A 104 5.675 4.005 -12.985 1.00 1.10 O ATOM 1665 CB SER A 104 5.830 7.469 -13.036 1.00 0.91 C ATOM 1666 OG SER A 104 5.529 8.556 -12.173 1.00 1.52 O ATOM 0 H SER A 104 5.883 5.535 -11.024 1.00 0.78 H new ATOM 0 HA SER A 104 3.914 6.518 -13.011 1.00 0.88 H new ATOM 0 HB2 SER A 104 6.877 7.188 -12.920 1.00 0.91 H new ATOM 0 HB3 SER A 104 5.696 7.777 -14.073 1.00 0.91 H new ATOM 0 HG SER A 104 6.115 9.313 -12.384 1.00 1.52 H new ATOM 1672 N SER A 105 5.446 5.192 -14.866 1.00 1.06 N ATOM 1673 CA SER A 105 5.934 4.115 -15.720 1.00 1.19 C ATOM 1674 C SER A 105 7.356 3.703 -15.323 1.00 1.14 C ATOM 1675 O SER A 105 7.713 2.523 -15.371 1.00 1.20 O ATOM 1676 CB SER A 105 5.885 4.566 -17.177 1.00 1.36 C ATOM 1677 OG SER A 105 6.317 5.913 -17.298 1.00 1.77 O ATOM 0 H SER A 105 5.164 6.035 -15.366 1.00 1.06 H new ATOM 0 HA SER A 105 5.294 3.242 -15.594 1.00 1.19 H new ATOM 0 HB2 SER A 105 6.518 3.919 -17.785 1.00 1.36 H new ATOM 0 HB3 SER A 105 4.869 4.469 -17.560 1.00 1.36 H new ATOM 0 HG SER A 105 6.281 6.185 -18.239 1.00 1.77 H new ATOM 1683 N ILE A 106 8.147 4.684 -14.904 1.00 1.10 N ATOM 1684 CA ILE A 106 9.516 4.440 -14.466 1.00 1.09 C ATOM 1685 C ILE A 106 9.563 3.965 -13.014 1.00 0.89 C ATOM 1686 O ILE A 106 10.555 3.386 -12.572 1.00 0.95 O ATOM 1687 CB ILE A 106 10.387 5.707 -14.613 1.00 1.18 C ATOM 1688 CG1 ILE A 106 9.765 6.879 -13.841 1.00 1.25 C ATOM 1689 CG2 ILE A 106 10.566 6.061 -16.085 1.00 1.67 C ATOM 1690 CD1 ILE A 106 10.590 8.147 -13.884 1.00 1.60 C ATOM 0 H ILE A 106 7.861 5.662 -14.858 1.00 1.10 H new ATOM 0 HA ILE A 106 9.915 3.655 -15.109 1.00 1.09 H new ATOM 0 HB ILE A 106 11.370 5.505 -14.189 1.00 1.18 H new ATOM 0 HG12 ILE A 106 8.776 7.086 -14.249 1.00 1.25 H new ATOM 0 HG13 ILE A 106 9.625 6.583 -12.801 1.00 1.25 H new ATOM 0 HG21 ILE A 106 11.182 6.956 -16.172 1.00 1.67 H new ATOM 0 HG22 ILE A 106 11.053 5.234 -16.602 1.00 1.67 H new ATOM 0 HG23 ILE A 106 9.591 6.247 -16.536 1.00 1.67 H new ATOM 0 HD11 ILE A 106 10.085 8.929 -13.316 1.00 1.60 H new ATOM 0 HD12 ILE A 106 11.571 7.958 -13.448 1.00 1.60 H new ATOM 0 HD13 ILE A 106 10.709 8.469 -14.919 1.00 1.60 H new ATOM 1702 N LYS A 107 8.489 4.209 -12.273 1.00 0.77 N ATOM 1703 CA LYS A 107 8.423 3.831 -10.879 1.00 0.65 C ATOM 1704 C LYS A 107 7.204 2.966 -10.613 1.00 0.58 C ATOM 1705 O LYS A 107 6.165 3.469 -10.195 1.00 0.59 O ATOM 1706 CB LYS A 107 8.346 5.081 -10.004 1.00 0.80 C ATOM 1707 CG LYS A 107 9.331 5.050 -8.864 1.00 0.52 C ATOM 1708 CD LYS A 107 10.741 5.145 -9.400 1.00 1.41 C ATOM 1709 CE LYS A 107 11.757 4.854 -8.328 1.00 1.58 C ATOM 1710 NZ LYS A 107 13.044 4.398 -8.914 1.00 2.62 N ATOM 0 H LYS A 107 7.650 4.671 -12.623 1.00 0.77 H new ATOM 0 HA LYS A 107 9.322 3.263 -10.638 1.00 0.65 H new ATOM 0 HB2 LYS A 107 8.533 5.962 -10.618 1.00 0.80 H new ATOM 0 HB3 LYS A 107 7.336 5.179 -9.605 1.00 0.80 H new ATOM 0 HG2 LYS A 107 9.136 5.877 -8.181 1.00 0.52 H new ATOM 0 HG3 LYS A 107 9.211 4.129 -8.293 1.00 0.52 H new ATOM 0 HD2 LYS A 107 10.867 4.442 -10.223 1.00 1.41 H new ATOM 0 HD3 LYS A 107 10.912 6.143 -9.804 1.00 1.41 H new ATOM 0 HE2 LYS A 107 11.924 5.750 -7.730 1.00 1.58 H new ATOM 0 HE3 LYS A 107 11.370 4.089 -7.655 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 13.724 4.205 -8.151 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 12.886 3.530 -9.465 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 13.424 5.139 -9.537 1.00 2.62 H new ATOM 1724 N SER A 108 7.333 1.673 -10.841 1.00 0.56 N ATOM 1725 CA SER A 108 6.257 0.751 -10.540 1.00 0.54 C ATOM 1726 C SER A 108 6.370 0.322 -9.086 1.00 0.48 C ATOM 1727 O SER A 108 7.053 -0.654 -8.760 1.00 0.55 O ATOM 1728 CB SER A 108 6.313 -0.455 -11.474 1.00 0.63 C ATOM 1729 OG SER A 108 6.428 -0.034 -12.826 1.00 1.12 O ATOM 0 H SER A 108 8.169 1.239 -11.232 1.00 0.56 H new ATOM 0 HA SER A 108 5.296 1.242 -10.694 1.00 0.54 H new ATOM 0 HB2 SER A 108 7.161 -1.087 -11.211 1.00 0.63 H new ATOM 0 HB3 SER A 108 5.415 -1.060 -11.351 1.00 0.63 H new ATOM 0 HG SER A 108 6.464 -0.819 -13.411 1.00 1.12 H new ATOM 1735 N ILE A 109 5.713 1.068 -8.217 1.00 0.39 N ATOM 1736 CA ILE A 109 5.870 0.891 -6.788 1.00 0.36 C ATOM 1737 C ILE A 109 4.567 0.456 -6.138 1.00 0.32 C ATOM 1738 O ILE A 109 3.513 1.052 -6.357 1.00 0.38 O ATOM 1739 CB ILE A 109 6.394 2.178 -6.116 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.669 3.414 -6.653 1.00 0.32 C ATOM 1741 CG2 ILE A 109 7.893 2.302 -6.331 1.00 0.54 C ATOM 1742 CD1 ILE A 109 6.124 4.713 -6.017 1.00 0.39 C ATOM 0 H ILE A 109 5.061 1.807 -8.480 1.00 0.39 H new ATOM 0 HA ILE A 109 6.608 0.102 -6.643 1.00 0.36 H new ATOM 0 HB ILE A 109 6.194 2.114 -5.046 1.00 0.37 H new ATOM 0 HG12 ILE A 109 5.822 3.474 -7.731 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.598 3.295 -6.489 1.00 0.32 H new ATOM 0 HG21 ILE A 109 8.255 3.213 -5.854 1.00 0.54 H new ATOM 0 HG22 ILE A 109 8.396 1.439 -5.894 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.105 2.343 -7.399 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.566 5.544 -6.448 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.945 4.674 -4.942 1.00 0.39 H new ATOM 0 HD13 ILE A 109 7.189 4.856 -6.203 1.00 0.39 H new ATOM 1754 N LEU A 110 4.657 -0.602 -5.347 1.00 0.33 N ATOM 1755 CA LEU A 110 3.502 -1.170 -4.672 1.00 0.34 C ATOM 1756 C LEU A 110 3.400 -0.585 -3.262 1.00 0.35 C ATOM 1757 O LEU A 110 4.281 -0.815 -2.434 1.00 0.41 O ATOM 1758 CB LEU A 110 3.639 -2.698 -4.557 1.00 0.43 C ATOM 1759 CG LEU A 110 3.624 -3.507 -5.864 1.00 0.47 C ATOM 1760 CD1 LEU A 110 4.852 -3.230 -6.721 1.00 1.01 C ATOM 1761 CD2 LEU A 110 3.541 -4.992 -5.545 1.00 1.08 C ATOM 0 H LEU A 110 5.532 -1.090 -5.156 1.00 0.33 H new ATOM 0 HA LEU A 110 2.611 -0.930 -5.252 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.572 -2.915 -4.037 1.00 0.43 H new ATOM 0 HB3 LEU A 110 2.829 -3.063 -3.925 1.00 0.43 H new ATOM 0 HG LEU A 110 2.749 -3.199 -6.436 1.00 0.47 H new ATOM 0 HD11 LEU A 110 4.800 -3.823 -7.634 1.00 1.01 H new ATOM 0 HD12 LEU A 110 4.886 -2.171 -6.977 1.00 1.01 H new ATOM 0 HD13 LEU A 110 5.751 -3.498 -6.166 1.00 1.01 H new ATOM 0 HD21 LEU A 110 3.530 -5.563 -6.473 1.00 1.08 H new ATOM 0 HD22 LEU A 110 4.405 -5.285 -4.948 1.00 1.08 H new ATOM 0 HD23 LEU A 110 2.628 -5.193 -4.985 1.00 1.08 H new ATOM 1773 N LEU A 111 2.333 0.147 -2.973 1.00 0.31 N ATOM 1774 CA LEU A 111 2.210 0.812 -1.680 1.00 0.34 C ATOM 1775 C LEU A 111 1.149 0.138 -0.812 1.00 0.36 C ATOM 1776 O LEU A 111 -0.017 0.041 -1.198 1.00 0.46 O ATOM 1777 CB LEU A 111 1.888 2.305 -1.860 1.00 0.34 C ATOM 1778 CG LEU A 111 2.943 3.121 -2.625 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.774 4.608 -2.363 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.341 2.682 -2.242 1.00 0.43 C ATOM 0 H LEU A 111 1.548 0.296 -3.607 1.00 0.31 H new ATOM 0 HA LEU A 111 3.170 0.726 -1.171 1.00 0.34 H new ATOM 0 HB2 LEU A 111 0.936 2.393 -2.383 1.00 0.34 H new ATOM 0 HB3 LEU A 111 1.753 2.751 -0.875 1.00 0.34 H new ATOM 0 HG LEU A 111 2.798 2.939 -3.690 1.00 0.32 H new ATOM 0 HD11 LEU A 111 3.532 5.163 -2.915 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.783 4.925 -2.689 1.00 0.38 H new ATOM 0 HD13 LEU A 111 2.885 4.805 -1.297 1.00 0.38 H new ATOM 0 HD21 LEU A 111 5.072 3.272 -2.795 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.489 2.831 -1.172 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.470 1.627 -2.483 1.00 0.43 H new ATOM 1792 N PRO A 112 1.566 -0.373 0.361 1.00 0.30 N ATOM 1793 CA PRO A 112 0.673 -1.038 1.318 1.00 0.29 C ATOM 1794 C PRO A 112 -0.551 -0.196 1.674 1.00 0.27 C ATOM 1795 O PRO A 112 -0.430 0.889 2.246 1.00 0.30 O ATOM 1796 CB PRO A 112 1.557 -1.239 2.550 1.00 0.33 C ATOM 1797 CG PRO A 112 2.942 -1.292 2.014 1.00 0.53 C ATOM 1798 CD PRO A 112 2.961 -0.359 0.835 1.00 0.33 C ATOM 0 HA PRO A 112 0.265 -1.962 0.909 1.00 0.29 H new ATOM 0 HB2 PRO A 112 1.438 -0.421 3.261 1.00 0.33 H new ATOM 0 HB3 PRO A 112 1.300 -2.158 3.076 1.00 0.33 H new ATOM 0 HG2 PRO A 112 3.665 -0.983 2.769 1.00 0.53 H new ATOM 0 HG3 PRO A 112 3.207 -2.306 1.715 1.00 0.53 H new ATOM 0 HD2 PRO A 112 3.277 0.644 1.122 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.650 -0.702 0.063 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.727 -0.727 1.354 1.00 0.27 N ATOM 1807 CA ILE A 113 -2.990 -0.020 1.561 1.00 0.27 C ATOM 1808 C ILE A 113 -3.255 0.224 3.057 1.00 0.29 C ATOM 1809 O ILE A 113 -4.011 1.123 3.425 1.00 0.31 O ATOM 1810 CB ILE A 113 -4.174 -0.791 0.908 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.457 0.043 0.963 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.384 -2.150 1.561 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.727 -0.756 0.754 1.00 0.45 C ATOM 0 H ILE A 113 -1.833 -1.656 0.945 1.00 0.27 H new ATOM 0 HA ILE A 113 -2.908 0.952 1.074 1.00 0.27 H new ATOM 0 HB ILE A 113 -3.920 -0.965 -0.138 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.511 0.543 1.930 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.403 0.823 0.204 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -5.219 -2.660 1.080 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.480 -2.750 1.452 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.604 -2.015 2.620 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.589 -0.091 0.808 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.699 -1.234 -0.225 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.809 -1.519 1.528 1.00 0.45 H new ATOM 1825 N GLU A 114 -2.611 -0.574 3.913 1.00 0.32 N ATOM 1826 CA GLU A 114 -2.742 -0.435 5.367 1.00 0.39 C ATOM 1827 C GLU A 114 -2.311 0.964 5.829 1.00 0.38 C ATOM 1828 O GLU A 114 -2.784 1.469 6.850 1.00 0.46 O ATOM 1829 CB GLU A 114 -1.886 -1.497 6.072 1.00 0.47 C ATOM 1830 CG GLU A 114 -2.165 -1.632 7.564 1.00 0.73 C ATOM 1831 CD GLU A 114 -1.132 -2.482 8.287 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -1.120 -3.714 8.068 1.00 1.86 O ATOM 1833 OE2 GLU A 114 -0.327 -1.927 9.063 1.00 2.32 O ATOM 0 H GLU A 114 -1.989 -1.328 3.622 1.00 0.32 H new ATOM 0 HA GLU A 114 -3.791 -0.576 5.629 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -2.056 -2.461 5.593 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -0.833 -1.252 5.931 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -2.191 -0.640 8.014 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -3.152 -2.072 7.705 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.427 1.589 5.060 1.00 0.32 N ATOM 1841 CA LEU A 115 -0.861 2.884 5.428 1.00 0.33 C ATOM 1842 C LEU A 115 -1.378 3.990 4.516 1.00 0.32 C ATOM 1843 O LEU A 115 -0.762 5.051 4.398 1.00 0.33 O ATOM 1844 CB LEU A 115 0.663 2.821 5.344 1.00 0.41 C ATOM 1845 CG LEU A 115 1.311 1.785 6.256 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.809 1.725 6.014 1.00 0.62 C ATOM 1847 CD2 LEU A 115 1.016 2.107 7.709 1.00 0.58 C ATOM 0 H LEU A 115 -1.085 1.219 4.173 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.166 3.112 6.449 1.00 0.33 H new ATOM 0 HB2 LEU A 115 0.948 2.606 4.314 1.00 0.41 H new ATOM 0 HB3 LEU A 115 1.067 3.803 5.588 1.00 0.41 H new ATOM 0 HG LEU A 115 0.890 0.806 6.026 1.00 0.51 H new ATOM 0 HD11 LEU A 115 3.255 0.980 6.674 1.00 0.62 H new ATOM 0 HD12 LEU A 115 2.999 1.451 4.976 1.00 0.62 H new ATOM 0 HD13 LEU A 115 3.250 2.701 6.218 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.484 1.360 8.350 1.00 0.58 H new ATOM 0 HD22 LEU A 115 1.413 3.093 7.951 1.00 0.58 H new ATOM 0 HD23 LEU A 115 -0.062 2.100 7.872 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.509 3.747 3.877 1.00 0.37 N ATOM 1860 CA CYS A 116 -3.045 4.696 2.917 1.00 0.39 C ATOM 1861 C CYS A 116 -4.358 5.300 3.402 1.00 0.34 C ATOM 1862 O CYS A 116 -5.253 4.589 3.865 1.00 0.38 O ATOM 1863 CB CYS A 116 -3.255 4.011 1.569 1.00 0.48 C ATOM 1864 SG CYS A 116 -1.772 3.219 0.909 1.00 0.86 S ATOM 0 H CYS A 116 -3.071 2.906 4.004 1.00 0.37 H new ATOM 0 HA CYS A 116 -2.323 5.505 2.807 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -4.040 3.261 1.672 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -3.611 4.748 0.850 1.00 0.48 H new ATOM 0 HG CYS A 116 -1.390 2.273 1.714 1.00 0.86 H new ATOM 1870 N SER A 117 -4.456 6.617 3.310 1.00 0.32 N ATOM 1871 CA SER A 117 -5.692 7.320 3.598 1.00 0.29 C ATOM 1872 C SER A 117 -6.227 7.929 2.317 1.00 0.24 C ATOM 1873 O SER A 117 -5.666 8.880 1.778 1.00 0.29 O ATOM 1874 CB SER A 117 -5.444 8.396 4.655 1.00 0.35 C ATOM 1875 OG SER A 117 -6.656 8.811 5.254 1.00 0.97 O ATOM 0 H SER A 117 -3.684 7.224 3.035 1.00 0.32 H new ATOM 0 HA SER A 117 -6.433 6.624 3.992 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.770 8.010 5.420 1.00 0.35 H new ATOM 0 HB3 SER A 117 -4.949 9.253 4.197 1.00 0.35 H new ATOM 0 HG SER A 117 -6.480 9.553 5.869 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.315 7.370 1.831 1.00 0.19 N ATOM 1882 CA ILE A 118 -7.906 7.819 0.594 1.00 0.21 C ATOM 1883 C ILE A 118 -8.826 8.999 0.862 1.00 0.32 C ATOM 1884 O ILE A 118 -9.810 8.888 1.597 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.676 6.679 -0.128 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.296 7.195 -1.430 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.747 6.072 0.772 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -9.995 6.125 -2.244 1.00 0.35 C ATOM 0 H ILE A 118 -7.809 6.599 2.280 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.100 8.132 -0.070 1.00 0.21 H new ATOM 0 HB ILE A 118 -7.961 5.892 -0.368 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.011 7.983 -1.193 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -8.514 7.648 -2.039 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.266 5.278 0.235 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.280 5.660 1.667 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.462 6.844 1.058 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.408 6.569 -3.150 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.280 5.348 -2.514 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -10.801 5.688 -1.655 1.00 0.35 H new ATOM 1900 N GLU A 119 -8.471 10.143 0.317 1.00 0.45 N ATOM 1901 CA GLU A 119 -9.320 11.305 0.430 1.00 0.61 C ATOM 1902 C GLU A 119 -10.560 11.099 -0.432 1.00 0.83 C ATOM 1903 O GLU A 119 -10.480 10.460 -1.483 1.00 0.96 O ATOM 1904 CB GLU A 119 -8.594 12.569 -0.034 1.00 0.82 C ATOM 1905 CG GLU A 119 -7.482 13.051 0.875 1.00 1.47 C ATOM 1906 CD GLU A 119 -6.742 14.228 0.266 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -6.917 14.470 -0.949 1.00 2.44 O ATOM 1908 OE2 GLU A 119 -5.989 14.917 0.991 1.00 1.66 O ATOM 0 H GLU A 119 -7.607 10.291 -0.204 1.00 0.45 H new ATOM 0 HA GLU A 119 -9.595 11.431 1.477 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -8.177 12.385 -1.024 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -9.326 13.370 -0.140 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -7.898 13.340 1.840 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -6.783 12.236 1.061 1.00 1.47 H new