USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 939 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 85 SER OG : rot 180:sc= -0.0454 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.131 K(o=-0.18,f=0.82) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 139:sc= 0.226 (180deg=-0.032) USER MOD Set 2.2: A 78 SER OG : rot -172:sc= 0.262 USER MOD Set 3.1: A 60 SER OG : rot 180:sc= 0.768 USER MOD Set 3.2: A 90 TYR OH : rot -159:sc= 0.885 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 48:sc= 0.378 USER MOD Single : A 11 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.002) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0316) USER MOD Single : A 20 LYS NZ :NH3+ -148:sc= 0.499 (180deg=-0.362) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.0782 USER MOD Single : A 29 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.015) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 32 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.06) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= -0.0181 (180deg=-0.118) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0737) USER MOD Single : A 42 LYS NZ :NH3+ -141:sc= -0.753 (180deg=-2.82!) USER MOD Single : A 45 ASN : amide:sc= -0.806 K(o=-0.81,f=0) USER MOD Single : A 48 MET CE :methyl -169:sc= -0.59 (180deg=-1.16) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 56 LYS NZ :NH3+ -117:sc= 0.103 (180deg=0.0886) USER MOD Single : A 58 SER OG : rot -27:sc= 0.16 USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 0.936 (180deg=0.394) USER MOD Single : A 65 GLN : amide:sc= -0.635 K(o=-0.63,f=-0.024) USER MOD Single : A 69 SER OG : rot -170:sc= -1.6! USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.351 (180deg=-1.44) USER MOD Single : A 77 SER OG : rot -130:sc= -0.627 USER MOD Single : A 81 ASN : amide:sc= 0.013 X(o=0.013,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -100:sc= -0.0265 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= 0.126 (180deg=0.0226) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0.597 (180deg=0.568) USER MOD Single : A 113 LYS NZ :NH3+ 134:sc= 0.976 (180deg=0.649) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 10.474 7.994 -2.392 1.00 21.11 N ATOM 28 CA LYS A 3 9.116 8.473 -2.652 1.00 23.13 C ATOM 29 C LYS A 3 8.160 7.450 -2.061 1.00 4.53 C ATOM 30 O LYS A 3 7.820 6.455 -2.722 1.00 73.54 O ATOM 31 CB LYS A 3 8.825 8.683 -4.179 1.00 51.23 C ATOM 32 CG LYS A 3 7.401 9.228 -4.547 1.00 51.44 C ATOM 33 CD LYS A 3 7.309 10.770 -4.662 1.00 73.31 C ATOM 34 CE LYS A 3 7.501 11.509 -3.335 1.00 0.15 C ATOM 35 NZ LYS A 3 7.462 12.986 -3.509 1.00 12.11 N ATOM 0 HA LYS A 3 8.988 9.453 -2.192 1.00 23.13 H new ATOM 0 HB2 LYS A 3 9.569 9.373 -4.577 1.00 51.23 H new ATOM 0 HB3 LYS A 3 8.969 7.730 -4.689 1.00 51.23 H new ATOM 0 HG2 LYS A 3 7.092 8.787 -5.495 1.00 51.44 H new ATOM 0 HG3 LYS A 3 6.691 8.890 -3.792 1.00 51.44 H new ATOM 0 HD2 LYS A 3 8.062 11.116 -5.370 1.00 73.31 H new ATOM 0 HD3 LYS A 3 6.336 11.035 -5.076 1.00 73.31 H new ATOM 0 HE2 LYS A 3 6.722 11.206 -2.635 1.00 0.15 H new ATOM 0 HE3 LYS A 3 8.455 11.221 -2.894 1.00 0.15 H new ATOM 0 HZ1 LYS A 3 7.596 13.448 -2.587 1.00 12.11 H new ATOM 0 HZ2 LYS A 3 8.221 13.279 -4.157 1.00 12.11 H new ATOM 0 HZ3 LYS A 3 6.542 13.265 -3.905 1.00 12.11 H new ATOM 49 N VAL A 4 7.816 7.652 -0.782 1.00 25.32 N ATOM 50 CA VAL A 4 6.842 6.831 -0.069 1.00 61.52 C ATOM 51 C VAL A 4 5.456 7.395 -0.358 1.00 61.30 C ATOM 52 O VAL A 4 5.189 8.562 -0.056 1.00 72.44 O ATOM 53 CB VAL A 4 7.065 6.811 1.492 1.00 55.40 C ATOM 54 CG1 VAL A 4 6.178 5.722 2.149 1.00 11.20 C ATOM 55 CG2 VAL A 4 8.560 6.644 1.863 1.00 74.45 C ATOM 0 H VAL A 4 8.213 8.399 -0.212 1.00 25.32 H new ATOM 0 HA VAL A 4 6.955 5.804 -0.417 1.00 61.52 H new ATOM 0 HB VAL A 4 6.760 7.779 1.889 1.00 55.40 H new ATOM 0 HG11 VAL A 4 6.343 5.720 3.226 1.00 11.20 H new ATOM 0 HG12 VAL A 4 5.129 5.934 1.943 1.00 11.20 H new ATOM 0 HG13 VAL A 4 6.438 4.746 1.740 1.00 11.20 H new ATOM 0 HG21 VAL A 4 8.667 6.636 2.948 1.00 74.45 H new ATOM 0 HG22 VAL A 4 8.934 5.705 1.454 1.00 74.45 H new ATOM 0 HG23 VAL A 4 9.133 7.474 1.448 1.00 74.45 H new ATOM 65 N VAL A 5 4.596 6.589 -0.973 1.00 50.21 N ATOM 66 CA VAL A 5 3.220 6.974 -1.286 1.00 43.52 C ATOM 67 C VAL A 5 2.257 5.992 -0.619 1.00 42.24 C ATOM 68 O VAL A 5 2.325 4.785 -0.871 1.00 12.44 O ATOM 69 CB VAL A 5 2.973 7.008 -2.844 1.00 11.23 C ATOM 70 CG1 VAL A 5 1.493 7.296 -3.173 1.00 43.51 C ATOM 71 CG2 VAL A 5 3.905 8.043 -3.527 1.00 34.30 C ATOM 0 H VAL A 5 4.834 5.643 -1.271 1.00 50.21 H new ATOM 0 HA VAL A 5 3.045 7.979 -0.903 1.00 43.52 H new ATOM 0 HB VAL A 5 3.212 6.021 -3.240 1.00 11.23 H new ATOM 0 HG11 VAL A 5 1.357 7.313 -4.254 1.00 43.51 H new ATOM 0 HG12 VAL A 5 0.866 6.517 -2.740 1.00 43.51 H new ATOM 0 HG13 VAL A 5 1.209 8.263 -2.757 1.00 43.51 H new ATOM 0 HG21 VAL A 5 3.717 8.049 -4.601 1.00 34.30 H new ATOM 0 HG22 VAL A 5 3.709 9.034 -3.119 1.00 34.30 H new ATOM 0 HG23 VAL A 5 4.945 7.774 -3.342 1.00 34.30 H new ATOM 81 N PHE A 6 1.392 6.503 0.266 1.00 55.35 N ATOM 82 CA PHE A 6 0.309 5.713 0.844 1.00 64.41 C ATOM 83 C PHE A 6 -0.958 5.944 0.019 1.00 55.14 C ATOM 84 O PHE A 6 -1.339 7.089 -0.256 1.00 74.33 O ATOM 85 CB PHE A 6 0.055 6.061 2.331 1.00 1.33 C ATOM 86 CG PHE A 6 -0.971 5.133 2.979 1.00 72.15 C ATOM 87 CD1 PHE A 6 -0.661 3.786 3.183 1.00 54.23 C ATOM 88 CD2 PHE A 6 -2.240 5.581 3.351 1.00 23.03 C ATOM 89 CE1 PHE A 6 -1.583 2.917 3.719 1.00 2.11 C ATOM 90 CE2 PHE A 6 -3.158 4.708 3.898 1.00 32.51 C ATOM 91 CZ PHE A 6 -2.827 3.378 4.080 1.00 62.43 C ATOM 0 H PHE A 6 1.426 7.467 0.596 1.00 55.35 H new ATOM 0 HA PHE A 6 0.596 4.662 0.815 1.00 64.41 H new ATOM 0 HB2 PHE A 6 0.994 6.001 2.881 1.00 1.33 H new ATOM 0 HB3 PHE A 6 -0.293 7.091 2.406 1.00 1.33 H new ATOM 0 HD1 PHE A 6 0.319 3.421 2.915 1.00 54.23 H new ATOM 0 HD2 PHE A 6 -2.505 6.618 3.210 1.00 23.03 H new ATOM 0 HE1 PHE A 6 -1.330 1.876 3.856 1.00 2.11 H new ATOM 0 HE2 PHE A 6 -4.137 5.064 4.184 1.00 32.51 H new ATOM 0 HZ PHE A 6 -3.549 2.698 4.508 1.00 62.43 H new ATOM 101 N LEU A 7 -1.597 4.846 -0.349 1.00 70.01 N ATOM 102 CA LEU A 7 -2.829 4.828 -1.125 1.00 35.21 C ATOM 103 C LEU A 7 -3.848 3.988 -0.354 1.00 22.14 C ATOM 104 O LEU A 7 -3.535 2.865 0.041 1.00 65.51 O ATOM 105 CB LEU A 7 -2.548 4.223 -2.528 1.00 52.53 C ATOM 106 CG LEU A 7 -3.793 3.972 -3.434 1.00 71.41 C ATOM 107 CD1 LEU A 7 -4.561 5.283 -3.725 1.00 52.11 C ATOM 108 CD2 LEU A 7 -3.384 3.235 -4.732 1.00 54.01 C ATOM 0 H LEU A 7 -1.263 3.912 -0.109 1.00 70.01 H new ATOM 0 HA LEU A 7 -3.221 5.835 -1.271 1.00 35.21 H new ATOM 0 HB2 LEU A 7 -1.868 4.890 -3.058 1.00 52.53 H new ATOM 0 HB3 LEU A 7 -2.026 3.276 -2.394 1.00 52.53 H new ATOM 0 HG LEU A 7 -4.482 3.324 -2.891 1.00 71.41 H new ATOM 0 HD11 LEU A 7 -5.421 5.068 -4.359 1.00 52.11 H new ATOM 0 HD12 LEU A 7 -4.902 5.721 -2.787 1.00 52.11 H new ATOM 0 HD13 LEU A 7 -3.902 5.985 -4.235 1.00 52.11 H new ATOM 0 HD21 LEU A 7 -4.267 3.070 -5.350 1.00 54.01 H new ATOM 0 HD22 LEU A 7 -2.664 3.840 -5.283 1.00 54.01 H new ATOM 0 HD23 LEU A 7 -2.933 2.275 -4.479 1.00 54.01 H new ATOM 120 N SER A 8 -5.041 4.539 -0.103 1.00 41.22 N ATOM 121 CA SER A 8 -6.134 3.801 0.535 1.00 32.01 C ATOM 122 C SER A 8 -7.473 4.374 0.101 1.00 31.43 C ATOM 123 O SER A 8 -7.582 5.564 -0.232 1.00 12.54 O ATOM 124 CB SER A 8 -6.010 3.835 2.075 1.00 63.40 C ATOM 125 OG SER A 8 -7.077 3.140 2.713 1.00 51.23 O ATOM 0 H SER A 8 -5.274 5.504 -0.336 1.00 41.22 H new ATOM 0 HA SER A 8 -6.071 2.760 0.217 1.00 32.01 H new ATOM 0 HB2 SER A 8 -5.060 3.391 2.372 1.00 63.40 H new ATOM 0 HB3 SER A 8 -5.998 4.871 2.415 1.00 63.40 H new ATOM 0 HG SER A 8 -7.193 2.262 2.293 1.00 51.23 H new ATOM 131 N ASP A 9 -8.489 3.512 0.119 1.00 43.43 N ATOM 132 CA ASP A 9 -9.872 3.884 -0.196 1.00 43.43 C ATOM 133 C ASP A 9 -10.579 4.384 1.079 1.00 41.03 C ATOM 134 O ASP A 9 -11.508 5.189 1.017 1.00 24.13 O ATOM 135 CB ASP A 9 -10.607 2.660 -0.800 1.00 21.35 C ATOM 136 CG ASP A 9 -12.053 2.971 -1.229 1.00 70.52 C ATOM 137 OD1 ASP A 9 -12.234 3.669 -2.249 1.00 65.42 O ATOM 138 OD2 ASP A 9 -13.010 2.525 -0.558 1.00 40.25 O ATOM 0 H ASP A 9 -8.376 2.526 0.355 1.00 43.43 H new ATOM 0 HA ASP A 9 -9.884 4.691 -0.929 1.00 43.43 H new ATOM 0 HB2 ASP A 9 -10.048 2.299 -1.664 1.00 21.35 H new ATOM 0 HB3 ASP A 9 -10.618 1.853 -0.067 1.00 21.35 H new ATOM 143 N ASP A 10 -10.074 3.928 2.232 1.00 23.35 N ATOM 144 CA ASP A 10 -10.695 4.133 3.553 1.00 73.32 C ATOM 145 C ASP A 10 -10.115 5.397 4.224 1.00 22.01 C ATOM 146 O ASP A 10 -8.891 5.585 4.223 1.00 33.15 O ATOM 147 CB ASP A 10 -10.411 2.901 4.448 1.00 33.11 C ATOM 148 CG ASP A 10 -10.497 1.542 3.727 1.00 53.22 C ATOM 149 OD1 ASP A 10 -9.452 1.058 3.213 1.00 12.31 O ATOM 150 OD2 ASP A 10 -11.591 0.944 3.683 1.00 62.43 O ATOM 0 H ASP A 10 -9.205 3.395 2.277 1.00 23.35 H new ATOM 0 HA ASP A 10 -11.770 4.260 3.426 1.00 73.32 H new ATOM 0 HB2 ASP A 10 -9.415 3.005 4.879 1.00 33.11 H new ATOM 0 HB3 ASP A 10 -11.119 2.901 5.277 1.00 33.11 H new ATOM 155 N GLN A 11 -10.996 6.239 4.809 1.00 73.04 N ATOM 156 CA GLN A 11 -10.615 7.542 5.403 1.00 42.01 C ATOM 157 C GLN A 11 -9.724 7.425 6.673 1.00 4.13 C ATOM 158 O GLN A 11 -8.602 7.957 6.675 1.00 74.23 O ATOM 159 CB GLN A 11 -11.883 8.382 5.717 1.00 74.30 C ATOM 160 CG GLN A 11 -11.603 9.783 6.311 1.00 12.43 C ATOM 161 CD GLN A 11 -10.771 10.699 5.395 1.00 63.01 C ATOM 162 OE1 GLN A 11 -11.311 11.419 4.557 1.00 15.20 O ATOM 163 NE2 GLN A 11 -9.456 10.678 5.544 1.00 64.44 N ATOM 0 H GLN A 11 -11.993 6.035 4.883 1.00 73.04 H new ATOM 0 HA GLN A 11 -10.006 8.045 4.652 1.00 42.01 H new ATOM 0 HB2 GLN A 11 -12.459 8.501 4.800 1.00 74.30 H new ATOM 0 HB3 GLN A 11 -12.507 7.825 6.416 1.00 74.30 H new ATOM 0 HG2 GLN A 11 -12.553 10.270 6.528 1.00 12.43 H new ATOM 0 HG3 GLN A 11 -11.081 9.666 7.261 1.00 12.43 H new ATOM 0 HE21 GLN A 11 -9.032 10.072 6.246 1.00 64.44 H new ATOM 0 HE22 GLN A 11 -8.867 11.268 4.956 1.00 64.44 H new ATOM 172 N GLU A 12 -10.211 6.730 7.737 1.00 71.11 N ATOM 173 CA GLU A 12 -9.498 6.672 9.046 1.00 64.31 C ATOM 174 C GLU A 12 -8.131 6.017 8.903 1.00 41.12 C ATOM 175 O GLU A 12 -7.191 6.397 9.586 1.00 51.42 O ATOM 176 CB GLU A 12 -10.292 5.923 10.140 1.00 71.23 C ATOM 177 CG GLU A 12 -11.670 6.515 10.475 1.00 51.13 C ATOM 178 CD GLU A 12 -12.149 6.063 11.861 1.00 21.32 C ATOM 179 OE1 GLU A 12 -12.026 6.851 12.829 1.00 25.24 O ATOM 180 OE2 GLU A 12 -12.586 4.901 12.002 1.00 74.03 O ATOM 0 H GLU A 12 -11.086 6.206 7.716 1.00 71.11 H new ATOM 0 HA GLU A 12 -9.387 7.710 9.358 1.00 64.31 H new ATOM 0 HB2 GLU A 12 -10.427 4.889 9.824 1.00 71.23 H new ATOM 0 HB3 GLU A 12 -9.693 5.902 11.050 1.00 71.23 H new ATOM 0 HG2 GLU A 12 -11.618 7.603 10.443 1.00 51.13 H new ATOM 0 HG3 GLU A 12 -12.393 6.208 9.720 1.00 51.13 H new ATOM 187 N ILE A 13 -8.070 5.023 8.018 1.00 4.34 N ATOM 188 CA ILE A 13 -6.828 4.355 7.624 1.00 40.33 C ATOM 189 C ILE A 13 -5.745 5.384 7.192 1.00 74.05 C ATOM 190 O ILE A 13 -4.623 5.368 7.721 1.00 55.35 O ATOM 191 CB ILE A 13 -7.113 3.362 6.452 1.00 55.11 C ATOM 192 CG1 ILE A 13 -8.131 2.241 6.866 1.00 30.44 C ATOM 193 CG2 ILE A 13 -5.816 2.762 5.908 1.00 3.35 C ATOM 194 CD1 ILE A 13 -7.679 1.270 7.930 1.00 70.01 C ATOM 0 H ILE A 13 -8.895 4.652 7.546 1.00 4.34 H new ATOM 0 HA ILE A 13 -6.448 3.807 8.486 1.00 40.33 H new ATOM 0 HB ILE A 13 -7.578 3.936 5.650 1.00 55.11 H new ATOM 0 HG12 ILE A 13 -9.045 2.723 7.212 1.00 30.44 H new ATOM 0 HG13 ILE A 13 -8.390 1.671 5.974 1.00 30.44 H new ATOM 0 HG21 ILE A 13 -6.046 2.075 5.094 1.00 3.35 H new ATOM 0 HG22 ILE A 13 -5.173 3.560 5.538 1.00 3.35 H new ATOM 0 HG23 ILE A 13 -5.303 2.222 6.704 1.00 3.35 H new ATOM 0 HD11 ILE A 13 -8.472 0.548 8.124 1.00 70.01 H new ATOM 0 HD12 ILE A 13 -6.786 0.746 7.589 1.00 70.01 H new ATOM 0 HD13 ILE A 13 -7.452 1.814 8.847 1.00 70.01 H new ATOM 206 N ILE A 14 -6.112 6.276 6.230 1.00 52.24 N ATOM 207 CA ILE A 14 -5.221 7.356 5.744 1.00 60.55 C ATOM 208 C ILE A 14 -4.823 8.294 6.904 1.00 61.53 C ATOM 209 O ILE A 14 -3.669 8.707 6.982 1.00 12.14 O ATOM 210 CB ILE A 14 -5.869 8.197 4.563 1.00 62.31 C ATOM 211 CG1 ILE A 14 -6.191 7.286 3.336 1.00 22.32 C ATOM 212 CG2 ILE A 14 -4.952 9.378 4.129 1.00 70.11 C ATOM 213 CD1 ILE A 14 -6.791 8.012 2.143 1.00 61.42 C ATOM 0 H ILE A 14 -7.026 6.263 5.777 1.00 52.24 H new ATOM 0 HA ILE A 14 -4.329 6.871 5.346 1.00 60.55 H new ATOM 0 HB ILE A 14 -6.802 8.615 4.941 1.00 62.31 H new ATOM 0 HG12 ILE A 14 -5.273 6.791 3.018 1.00 22.32 H new ATOM 0 HG13 ILE A 14 -6.882 6.505 3.653 1.00 22.32 H new ATOM 0 HG21 ILE A 14 -5.429 9.930 3.319 1.00 70.11 H new ATOM 0 HG22 ILE A 14 -4.791 10.044 4.977 1.00 70.11 H new ATOM 0 HG23 ILE A 14 -3.993 8.988 3.787 1.00 70.11 H new ATOM 0 HD11 ILE A 14 -6.981 7.299 1.341 1.00 61.42 H new ATOM 0 HD12 ILE A 14 -7.728 8.484 2.438 1.00 61.42 H new ATOM 0 HD13 ILE A 14 -6.095 8.775 1.794 1.00 61.42 H new ATOM 225 N GLU A 15 -5.784 8.581 7.807 1.00 62.15 N ATOM 226 CA GLU A 15 -5.573 9.474 8.975 1.00 41.12 C ATOM 227 C GLU A 15 -4.545 8.894 9.971 1.00 3.24 C ATOM 228 O GLU A 15 -3.719 9.634 10.526 1.00 13.45 O ATOM 229 CB GLU A 15 -6.919 9.743 9.694 1.00 34.42 C ATOM 230 CG GLU A 15 -7.973 10.452 8.818 1.00 64.13 C ATOM 231 CD GLU A 15 -9.260 10.765 9.593 1.00 62.10 C ATOM 232 OE1 GLU A 15 -9.286 11.778 10.327 1.00 1.20 O ATOM 233 OE2 GLU A 15 -10.240 9.997 9.493 1.00 11.12 O ATOM 0 H GLU A 15 -6.729 8.202 7.750 1.00 62.15 H new ATOM 0 HA GLU A 15 -5.169 10.414 8.598 1.00 41.12 H new ATOM 0 HB2 GLU A 15 -7.329 8.794 10.040 1.00 34.42 H new ATOM 0 HB3 GLU A 15 -6.730 10.351 10.579 1.00 34.42 H new ATOM 0 HG2 GLU A 15 -7.553 11.379 8.427 1.00 64.13 H new ATOM 0 HG3 GLU A 15 -8.212 9.823 7.960 1.00 64.13 H new ATOM 240 N GLU A 16 -4.608 7.567 10.174 1.00 2.43 N ATOM 241 CA GLU A 16 -3.733 6.841 11.114 1.00 72.44 C ATOM 242 C GLU A 16 -2.303 6.731 10.586 1.00 35.54 C ATOM 243 O GLU A 16 -1.344 6.878 11.344 1.00 65.25 O ATOM 244 CB GLU A 16 -4.309 5.429 11.384 1.00 24.23 C ATOM 245 CG GLU A 16 -5.629 5.424 12.165 1.00 61.23 C ATOM 246 CD GLU A 16 -5.541 6.099 13.541 1.00 70.41 C ATOM 247 OE1 GLU A 16 -5.022 5.478 14.484 1.00 51.22 O ATOM 248 OE2 GLU A 16 -5.992 7.253 13.688 1.00 2.21 O ATOM 0 H GLU A 16 -5.271 6.963 9.688 1.00 2.43 H new ATOM 0 HA GLU A 16 -3.699 7.407 12.045 1.00 72.44 H new ATOM 0 HB2 GLU A 16 -4.463 4.924 10.430 1.00 24.23 H new ATOM 0 HB3 GLU A 16 -3.571 4.848 11.937 1.00 24.23 H new ATOM 0 HG2 GLU A 16 -6.392 5.928 11.572 1.00 61.23 H new ATOM 0 HG3 GLU A 16 -5.957 4.393 12.297 1.00 61.23 H new ATOM 255 N VAL A 17 -2.180 6.430 9.287 1.00 54.34 N ATOM 256 CA VAL A 17 -0.881 6.350 8.599 1.00 14.05 C ATOM 257 C VAL A 17 -0.239 7.740 8.484 1.00 23.11 C ATOM 258 O VAL A 17 0.976 7.879 8.622 1.00 4.03 O ATOM 259 CB VAL A 17 -1.051 5.691 7.184 1.00 64.04 C ATOM 260 CG1 VAL A 17 0.256 5.733 6.356 1.00 51.42 C ATOM 261 CG2 VAL A 17 -1.574 4.246 7.340 1.00 74.33 C ATOM 0 H VAL A 17 -2.977 6.235 8.681 1.00 54.34 H new ATOM 0 HA VAL A 17 -0.215 5.722 9.191 1.00 14.05 H new ATOM 0 HB VAL A 17 -1.784 6.274 6.626 1.00 64.04 H new ATOM 0 HG11 VAL A 17 0.087 5.265 5.386 1.00 51.42 H new ATOM 0 HG12 VAL A 17 0.562 6.769 6.211 1.00 51.42 H new ATOM 0 HG13 VAL A 17 1.041 5.194 6.887 1.00 51.42 H new ATOM 0 HG21 VAL A 17 -1.690 3.793 6.355 1.00 74.33 H new ATOM 0 HG22 VAL A 17 -0.863 3.663 7.926 1.00 74.33 H new ATOM 0 HG23 VAL A 17 -2.538 4.261 7.849 1.00 74.33 H new ATOM 271 N SER A 18 -1.091 8.756 8.243 1.00 21.51 N ATOM 272 CA SER A 18 -0.683 10.167 8.183 1.00 65.05 C ATOM 273 C SER A 18 -0.082 10.610 9.521 1.00 60.41 C ATOM 274 O SER A 18 0.969 11.258 9.553 1.00 10.10 O ATOM 275 CB SER A 18 -1.895 11.061 7.821 1.00 71.21 C ATOM 276 OG SER A 18 -1.530 12.422 7.737 1.00 32.31 O ATOM 0 H SER A 18 -2.089 8.616 8.084 1.00 21.51 H new ATOM 0 HA SER A 18 0.077 10.273 7.409 1.00 65.05 H new ATOM 0 HB2 SER A 18 -2.315 10.737 6.869 1.00 71.21 H new ATOM 0 HB3 SER A 18 -2.675 10.939 8.572 1.00 71.21 H new ATOM 0 HG SER A 18 -2.317 12.958 7.506 1.00 32.31 H new ATOM 282 N LYS A 19 -0.765 10.226 10.616 1.00 52.53 N ATOM 283 CA LYS A 19 -0.327 10.526 11.981 1.00 22.31 C ATOM 284 C LYS A 19 1.006 9.831 12.275 1.00 74.44 C ATOM 285 O LYS A 19 1.977 10.490 12.631 1.00 22.33 O ATOM 286 CB LYS A 19 -1.406 10.076 12.998 1.00 63.31 C ATOM 287 CG LYS A 19 -1.072 10.356 14.490 1.00 3.44 C ATOM 288 CD LYS A 19 -0.907 11.857 14.816 1.00 45.05 C ATOM 289 CE LYS A 19 -2.177 12.679 14.528 1.00 54.12 C ATOM 290 NZ LYS A 19 -3.354 12.196 15.292 1.00 24.23 N ATOM 0 H LYS A 19 -1.637 9.698 10.573 1.00 52.53 H new ATOM 0 HA LYS A 19 -0.185 11.603 12.076 1.00 22.31 H new ATOM 0 HB2 LYS A 19 -2.343 10.576 12.753 1.00 63.31 H new ATOM 0 HB3 LYS A 19 -1.573 9.006 12.875 1.00 63.31 H new ATOM 0 HG2 LYS A 19 -1.864 9.942 15.115 1.00 3.44 H new ATOM 0 HG3 LYS A 19 -0.152 9.833 14.752 1.00 3.44 H new ATOM 0 HD2 LYS A 19 -0.640 11.968 15.867 1.00 45.05 H new ATOM 0 HD3 LYS A 19 -0.080 12.261 14.233 1.00 45.05 H new ATOM 0 HE2 LYS A 19 -1.992 13.725 14.775 1.00 54.12 H new ATOM 0 HE3 LYS A 19 -2.398 12.637 13.462 1.00 54.12 H new ATOM 0 HZ1 LYS A 19 -4.164 12.823 15.114 1.00 24.23 H new ATOM 0 HZ2 LYS A 19 -3.591 11.230 14.990 1.00 24.23 H new ATOM 0 HZ3 LYS A 19 -3.132 12.196 16.308 1.00 24.23 H new ATOM 304 N LYS A 20 1.027 8.501 12.066 1.00 73.24 N ATOM 305 CA LYS A 20 2.182 7.637 12.358 1.00 51.43 C ATOM 306 C LYS A 20 3.449 8.141 11.645 1.00 74.33 C ATOM 307 O LYS A 20 4.501 8.313 12.272 1.00 50.50 O ATOM 308 CB LYS A 20 1.868 6.174 11.926 1.00 75.23 C ATOM 309 CG LYS A 20 2.978 5.117 12.189 1.00 32.04 C ATOM 310 CD LYS A 20 3.101 4.639 13.665 1.00 54.12 C ATOM 311 CE LYS A 20 3.857 5.622 14.584 1.00 73.24 C ATOM 312 NZ LYS A 20 4.299 4.976 15.852 1.00 34.41 N ATOM 0 H LYS A 20 0.230 7.991 11.684 1.00 73.24 H new ATOM 0 HA LYS A 20 2.368 7.665 13.432 1.00 51.43 H new ATOM 0 HB2 LYS A 20 0.963 5.853 12.442 1.00 75.23 H new ATOM 0 HB3 LYS A 20 1.644 6.174 10.859 1.00 75.23 H new ATOM 0 HG2 LYS A 20 2.788 4.249 11.557 1.00 32.04 H new ATOM 0 HG3 LYS A 20 3.936 5.534 11.878 1.00 32.04 H new ATOM 0 HD2 LYS A 20 2.101 4.477 14.068 1.00 54.12 H new ATOM 0 HD3 LYS A 20 3.611 3.676 13.683 1.00 54.12 H new ATOM 0 HE2 LYS A 20 4.726 6.016 14.056 1.00 73.24 H new ATOM 0 HE3 LYS A 20 3.213 6.470 14.815 1.00 73.24 H new ATOM 0 HZ1 LYS A 20 4.293 5.678 16.620 1.00 34.41 H new ATOM 0 HZ2 LYS A 20 3.651 4.198 16.089 1.00 34.41 H new ATOM 0 HZ3 LYS A 20 5.262 4.601 15.733 1.00 34.41 H new ATOM 326 N ALA A 21 3.298 8.416 10.343 1.00 15.04 N ATOM 327 CA ALA A 21 4.379 8.914 9.489 1.00 72.33 C ATOM 328 C ALA A 21 4.915 10.256 9.997 1.00 12.13 C ATOM 329 O ALA A 21 6.118 10.414 10.185 1.00 3.14 O ATOM 330 CB ALA A 21 3.875 9.071 8.055 1.00 45.10 C ATOM 0 H ALA A 21 2.413 8.297 9.850 1.00 15.04 H new ATOM 0 HA ALA A 21 5.193 8.190 9.516 1.00 72.33 H new ATOM 0 HB1 ALA A 21 4.683 9.442 7.424 1.00 45.10 H new ATOM 0 HB2 ALA A 21 3.536 8.105 7.681 1.00 45.10 H new ATOM 0 HB3 ALA A 21 3.046 9.779 8.036 1.00 45.10 H new ATOM 336 N GLU A 22 3.988 11.191 10.252 1.00 53.51 N ATOM 337 CA GLU A 22 4.308 12.584 10.613 1.00 23.23 C ATOM 338 C GLU A 22 5.030 12.662 11.976 1.00 5.44 C ATOM 339 O GLU A 22 5.998 13.422 12.136 1.00 34.22 O ATOM 340 CB GLU A 22 3.001 13.410 10.621 1.00 12.23 C ATOM 341 CG GLU A 22 3.199 14.924 10.772 1.00 65.41 C ATOM 342 CD GLU A 22 1.873 15.691 10.734 1.00 41.10 C ATOM 343 OE1 GLU A 22 1.322 15.994 11.810 1.00 51.23 O ATOM 344 OE2 GLU A 22 1.363 15.967 9.629 1.00 34.05 O ATOM 0 H GLU A 22 2.986 11.002 10.214 1.00 53.51 H new ATOM 0 HA GLU A 22 4.993 12.999 9.873 1.00 23.23 H new ATOM 0 HB2 GLU A 22 2.461 13.219 9.694 1.00 12.23 H new ATOM 0 HB3 GLU A 22 2.369 13.057 11.436 1.00 12.23 H new ATOM 0 HG2 GLU A 22 3.708 15.129 11.714 1.00 65.41 H new ATOM 0 HG3 GLU A 22 3.848 15.285 9.974 1.00 65.41 H new ATOM 351 N GLU A 23 4.550 11.853 12.945 1.00 65.42 N ATOM 352 CA GLU A 23 5.170 11.729 14.276 1.00 15.44 C ATOM 353 C GLU A 23 6.595 11.136 14.180 1.00 1.34 C ATOM 354 O GLU A 23 7.497 11.558 14.912 1.00 40.33 O ATOM 355 CB GLU A 23 4.298 10.857 15.234 1.00 73.21 C ATOM 356 CG GLU A 23 2.860 11.368 15.487 1.00 31.11 C ATOM 357 CD GLU A 23 2.786 12.801 16.046 1.00 13.43 C ATOM 358 OE1 GLU A 23 3.093 12.997 17.239 1.00 73.42 O ATOM 359 OE2 GLU A 23 2.407 13.735 15.301 1.00 63.35 O ATOM 0 H GLU A 23 3.722 11.269 12.824 1.00 65.42 H new ATOM 0 HA GLU A 23 5.238 12.735 14.689 1.00 15.44 H new ATOM 0 HB2 GLU A 23 4.238 9.849 14.824 1.00 73.21 H new ATOM 0 HB3 GLU A 23 4.810 10.781 16.193 1.00 73.21 H new ATOM 0 HG2 GLU A 23 2.302 11.326 14.551 1.00 31.11 H new ATOM 0 HG3 GLU A 23 2.364 10.692 16.184 1.00 31.11 H new ATOM 366 N GLU A 24 6.782 10.155 13.269 1.00 42.40 N ATOM 367 CA GLU A 24 8.091 9.502 13.041 1.00 54.21 C ATOM 368 C GLU A 24 8.995 10.316 12.081 1.00 33.13 C ATOM 369 O GLU A 24 10.180 9.991 11.924 1.00 63.21 O ATOM 370 CB GLU A 24 7.884 8.068 12.494 1.00 72.24 C ATOM 371 CG GLU A 24 7.169 7.089 13.450 1.00 31.13 C ATOM 372 CD GLU A 24 7.875 6.935 14.804 1.00 15.52 C ATOM 373 OE1 GLU A 24 7.350 7.417 15.834 1.00 54.14 O ATOM 374 OE2 GLU A 24 8.970 6.346 14.843 1.00 61.21 O ATOM 0 H GLU A 24 6.035 9.795 12.675 1.00 42.40 H new ATOM 0 HA GLU A 24 8.601 9.455 14.003 1.00 54.21 H new ATOM 0 HB2 GLU A 24 7.310 8.130 11.569 1.00 72.24 H new ATOM 0 HB3 GLU A 24 8.858 7.652 12.237 1.00 72.24 H new ATOM 0 HG2 GLU A 24 6.149 7.436 13.618 1.00 31.13 H new ATOM 0 HG3 GLU A 24 7.099 6.112 12.972 1.00 31.13 H new ATOM 381 N GLY A 25 8.419 11.352 11.430 1.00 34.23 N ATOM 382 CA GLY A 25 9.167 12.258 10.543 1.00 50.54 C ATOM 383 C GLY A 25 9.198 11.831 9.078 1.00 35.30 C ATOM 384 O GLY A 25 9.885 12.464 8.265 1.00 54.42 O ATOM 0 H GLY A 25 7.428 11.579 11.507 1.00 34.23 H new ATOM 0 HA2 GLY A 25 8.728 13.254 10.608 1.00 50.54 H new ATOM 0 HA3 GLY A 25 10.192 12.337 10.906 1.00 50.54 H new ATOM 388 N TYR A 26 8.478 10.743 8.744 1.00 4.31 N ATOM 389 CA TYR A 26 8.337 10.272 7.354 1.00 41.12 C ATOM 390 C TYR A 26 7.362 11.177 6.588 1.00 63.12 C ATOM 391 O TYR A 26 6.219 11.358 7.021 1.00 2.24 O ATOM 392 CB TYR A 26 7.811 8.814 7.320 1.00 40.34 C ATOM 393 CG TYR A 26 8.705 7.793 8.028 1.00 33.11 C ATOM 394 CD1 TYR A 26 10.006 7.554 7.584 1.00 30.02 C ATOM 395 CD2 TYR A 26 8.247 7.055 9.125 1.00 74.34 C ATOM 396 CE1 TYR A 26 10.814 6.624 8.206 1.00 74.05 C ATOM 397 CE2 TYR A 26 9.054 6.123 9.748 1.00 75.03 C ATOM 398 CZ TYR A 26 10.336 5.915 9.283 1.00 51.31 C ATOM 399 OH TYR A 26 11.143 4.993 9.896 1.00 2.25 O ATOM 0 H TYR A 26 7.981 10.170 9.426 1.00 4.31 H new ATOM 0 HA TYR A 26 9.319 10.307 6.883 1.00 41.12 H new ATOM 0 HB2 TYR A 26 6.822 8.789 7.777 1.00 40.34 H new ATOM 0 HB3 TYR A 26 7.690 8.510 6.280 1.00 40.34 H new ATOM 0 HD1 TYR A 26 10.388 8.107 6.738 1.00 30.02 H new ATOM 0 HD2 TYR A 26 7.244 7.217 9.491 1.00 74.34 H new ATOM 0 HE1 TYR A 26 11.819 6.454 7.848 1.00 74.05 H new ATOM 0 HE2 TYR A 26 8.684 5.561 10.593 1.00 75.03 H new ATOM 0 HH TYR A 26 11.142 5.149 10.863 1.00 2.25 H new ATOM 409 N ASP A 27 7.821 11.746 5.467 1.00 75.22 N ATOM 410 CA ASP A 27 6.963 12.487 4.535 1.00 54.13 C ATOM 411 C ASP A 27 6.392 11.505 3.507 1.00 45.24 C ATOM 412 O ASP A 27 7.080 11.112 2.562 1.00 50.12 O ATOM 413 CB ASP A 27 7.747 13.633 3.847 1.00 73.31 C ATOM 414 CG ASP A 27 8.128 14.759 4.821 1.00 31.24 C ATOM 415 OD1 ASP A 27 7.413 15.790 4.880 1.00 73.42 O ATOM 416 OD2 ASP A 27 9.131 14.608 5.550 1.00 15.13 O ATOM 0 H ASP A 27 8.799 11.706 5.180 1.00 75.22 H new ATOM 0 HA ASP A 27 6.143 12.951 5.083 1.00 54.13 H new ATOM 0 HB2 ASP A 27 8.652 13.228 3.394 1.00 73.31 H new ATOM 0 HB3 ASP A 27 7.144 14.046 3.039 1.00 73.31 H new ATOM 421 N ILE A 28 5.152 11.061 3.746 1.00 64.54 N ATOM 422 CA ILE A 28 4.441 10.132 2.859 1.00 74.12 C ATOM 423 C ILE A 28 3.370 10.901 2.069 1.00 64.32 C ATOM 424 O ILE A 28 2.560 11.618 2.666 1.00 3.13 O ATOM 425 CB ILE A 28 3.757 8.966 3.669 1.00 3.43 C ATOM 426 CG1 ILE A 28 4.807 8.191 4.525 1.00 42.20 C ATOM 427 CG2 ILE A 28 3.006 8.006 2.720 1.00 52.12 C ATOM 428 CD1 ILE A 28 4.271 6.951 5.227 1.00 3.44 C ATOM 0 H ILE A 28 4.611 11.338 4.565 1.00 64.54 H new ATOM 0 HA ILE A 28 5.169 9.689 2.179 1.00 74.12 H new ATOM 0 HB ILE A 28 3.029 9.409 4.349 1.00 3.43 H new ATOM 0 HG12 ILE A 28 5.634 7.896 3.880 1.00 42.20 H new ATOM 0 HG13 ILE A 28 5.214 8.869 5.276 1.00 42.20 H new ATOM 0 HG21 ILE A 28 2.542 7.209 3.301 1.00 52.12 H new ATOM 0 HG22 ILE A 28 2.236 8.557 2.180 1.00 52.12 H new ATOM 0 HG23 ILE A 28 3.709 7.574 2.009 1.00 52.12 H new ATOM 0 HD11 ILE A 28 5.072 6.480 5.796 1.00 3.44 H new ATOM 0 HD12 ILE A 28 3.465 7.236 5.903 1.00 3.44 H new ATOM 0 HD13 ILE A 28 3.892 6.248 4.485 1.00 3.44 H new ATOM 440 N GLN A 29 3.377 10.751 0.735 1.00 31.22 N ATOM 441 CA GLN A 29 2.339 11.301 -0.139 1.00 23.02 C ATOM 442 C GLN A 29 1.081 10.425 -0.012 1.00 21.42 C ATOM 443 O GLN A 29 1.068 9.283 -0.469 1.00 71.42 O ATOM 444 CB GLN A 29 2.868 11.313 -1.599 1.00 13.14 C ATOM 445 CG GLN A 29 1.903 11.883 -2.660 1.00 20.00 C ATOM 446 CD GLN A 29 1.500 13.338 -2.399 1.00 12.02 C ATOM 447 OE1 GLN A 29 2.199 14.265 -2.803 1.00 3.01 O ATOM 448 NE2 GLN A 29 0.365 13.547 -1.745 1.00 1.31 N ATOM 0 H GLN A 29 4.106 10.243 0.235 1.00 31.22 H new ATOM 0 HA GLN A 29 2.086 12.323 0.145 1.00 23.02 H new ATOM 0 HB2 GLN A 29 3.791 11.893 -1.626 1.00 13.14 H new ATOM 0 HB3 GLN A 29 3.125 10.292 -1.880 1.00 13.14 H new ATOM 0 HG2 GLN A 29 2.373 11.815 -3.641 1.00 20.00 H new ATOM 0 HG3 GLN A 29 1.005 11.266 -2.693 1.00 20.00 H new ATOM 0 HE21 GLN A 29 -0.192 12.755 -1.423 1.00 1.31 H new ATOM 0 HE22 GLN A 29 0.049 14.500 -1.564 1.00 1.31 H new ATOM 457 N THR A 30 0.048 10.961 0.640 1.00 23.21 N ATOM 458 CA THR A 30 -1.212 10.240 0.884 1.00 51.52 C ATOM 459 C THR A 30 -2.255 10.652 -0.167 1.00 72.34 C ATOM 460 O THR A 30 -2.342 11.838 -0.526 1.00 55.01 O ATOM 461 CB THR A 30 -1.753 10.510 2.334 1.00 40.21 C ATOM 462 OG1 THR A 30 -1.869 11.926 2.572 1.00 20.22 O ATOM 463 CG2 THR A 30 -0.849 9.877 3.420 1.00 12.31 C ATOM 0 H THR A 30 0.057 11.909 1.016 1.00 23.21 H new ATOM 0 HA THR A 30 -1.020 9.170 0.800 1.00 51.52 H new ATOM 0 HB THR A 30 -2.736 10.044 2.399 1.00 40.21 H new ATOM 0 HG1 THR A 30 -2.209 12.079 3.478 1.00 20.22 H new ATOM 0 HG21 THR A 30 -1.262 10.089 4.406 1.00 12.31 H new ATOM 0 HG22 THR A 30 -0.802 8.798 3.271 1.00 12.31 H new ATOM 0 HG23 THR A 30 0.154 10.297 3.349 1.00 12.31 H new ATOM 471 N SER A 31 -3.023 9.663 -0.663 1.00 25.23 N ATOM 472 CA SER A 31 -4.048 9.871 -1.702 1.00 3.22 C ATOM 473 C SER A 31 -5.150 8.800 -1.612 1.00 61.34 C ATOM 474 O SER A 31 -4.966 7.735 -1.003 1.00 43.24 O ATOM 475 CB SER A 31 -3.400 9.850 -3.112 1.00 13.31 C ATOM 476 OG SER A 31 -4.363 10.046 -4.142 1.00 4.44 O ATOM 0 H SER A 31 -2.949 8.694 -0.353 1.00 25.23 H new ATOM 0 HA SER A 31 -4.504 10.847 -1.535 1.00 3.22 H new ATOM 0 HB2 SER A 31 -2.639 10.628 -3.173 1.00 13.31 H new ATOM 0 HB3 SER A 31 -2.894 8.897 -3.265 1.00 13.31 H new ATOM 0 HG SER A 31 -3.917 10.028 -5.014 1.00 4.44 H new ATOM 482 N ASN A 32 -6.294 9.116 -2.236 1.00 61.21 N ATOM 483 CA ASN A 32 -7.456 8.225 -2.353 1.00 60.22 C ATOM 484 C ASN A 32 -7.674 7.849 -3.835 1.00 3.43 C ATOM 485 O ASN A 32 -8.059 6.707 -4.145 1.00 15.13 O ATOM 486 CB ASN A 32 -8.706 8.918 -1.749 1.00 3.31 C ATOM 487 CG ASN A 32 -9.976 8.065 -1.850 1.00 20.35 C ATOM 488 OD1 ASN A 32 -10.757 8.203 -2.788 1.00 12.21 O ATOM 489 ND2 ASN A 32 -10.175 7.163 -0.905 1.00 74.03 N ATOM 0 H ASN A 32 -6.440 10.021 -2.684 1.00 61.21 H new ATOM 0 HA ASN A 32 -7.279 7.305 -1.796 1.00 60.22 H new ATOM 0 HB2 ASN A 32 -8.514 9.150 -0.701 1.00 3.31 H new ATOM 0 HB3 ASN A 32 -8.871 9.866 -2.261 1.00 3.31 H new ATOM 0 HD21 ASN A 32 -10.995 6.558 -0.942 1.00 74.03 H new ATOM 0 HD22 ASN A 32 -9.508 7.072 -0.138 1.00 74.03 H new ATOM 496 N ASP A 33 -7.411 8.813 -4.757 1.00 44.14 N ATOM 497 CA ASP A 33 -7.564 8.586 -6.202 1.00 71.35 C ATOM 498 C ASP A 33 -6.335 7.809 -6.736 1.00 4.42 C ATOM 499 O ASP A 33 -5.243 8.357 -6.933 1.00 22.54 O ATOM 500 CB ASP A 33 -7.843 9.911 -6.989 1.00 61.44 C ATOM 501 CG ASP A 33 -6.697 10.940 -6.998 1.00 22.44 C ATOM 502 OD1 ASP A 33 -6.400 11.510 -5.929 1.00 12.24 O ATOM 503 OD2 ASP A 33 -6.114 11.201 -8.078 1.00 4.33 O ATOM 0 H ASP A 33 -7.093 9.751 -4.516 1.00 44.14 H new ATOM 0 HA ASP A 33 -8.449 7.972 -6.368 1.00 71.35 H new ATOM 0 HB2 ASP A 33 -8.084 9.655 -8.021 1.00 61.44 H new ATOM 0 HB3 ASP A 33 -8.728 10.385 -6.563 1.00 61.44 H new ATOM 508 N LYS A 34 -6.527 6.486 -6.889 1.00 45.34 N ATOM 509 CA LYS A 34 -5.477 5.545 -7.341 1.00 14.01 C ATOM 510 C LYS A 34 -5.032 5.804 -8.787 1.00 73.05 C ATOM 511 O LYS A 34 -3.959 5.366 -9.177 1.00 10.53 O ATOM 512 CB LYS A 34 -5.971 4.088 -7.174 1.00 3.12 C ATOM 513 CG LYS A 34 -7.162 3.692 -8.077 1.00 52.53 C ATOM 514 CD LYS A 34 -7.752 2.313 -7.718 1.00 0.42 C ATOM 515 CE LYS A 34 -8.357 2.281 -6.303 1.00 22.31 C ATOM 516 NZ LYS A 34 -9.440 3.291 -6.126 1.00 11.21 N ATOM 0 H LYS A 34 -7.421 6.033 -6.702 1.00 45.34 H new ATOM 0 HA LYS A 34 -4.601 5.708 -6.713 1.00 14.01 H new ATOM 0 HB2 LYS A 34 -5.140 3.413 -7.379 1.00 3.12 H new ATOM 0 HB3 LYS A 34 -6.257 3.935 -6.133 1.00 3.12 H new ATOM 0 HG2 LYS A 34 -7.942 4.449 -7.994 1.00 52.53 H new ATOM 0 HG3 LYS A 34 -6.836 3.683 -9.117 1.00 52.53 H new ATOM 0 HD2 LYS A 34 -8.521 2.050 -8.444 1.00 0.42 H new ATOM 0 HD3 LYS A 34 -6.971 1.557 -7.793 1.00 0.42 H new ATOM 0 HE2 LYS A 34 -8.755 1.286 -6.103 1.00 22.31 H new ATOM 0 HE3 LYS A 34 -7.571 2.463 -5.570 1.00 22.31 H new ATOM 0 HZ1 LYS A 34 -9.929 3.121 -5.224 1.00 11.21 H new ATOM 0 HZ2 LYS A 34 -9.027 4.246 -6.122 1.00 11.21 H new ATOM 0 HZ3 LYS A 34 -10.120 3.212 -6.909 1.00 11.21 H new ATOM 530 N LYS A 35 -5.868 6.523 -9.555 1.00 42.41 N ATOM 531 CA LYS A 35 -5.547 6.946 -10.935 1.00 42.31 C ATOM 532 C LYS A 35 -4.230 7.763 -10.983 1.00 24.12 C ATOM 533 O LYS A 35 -3.426 7.587 -11.901 1.00 21.30 O ATOM 534 CB LYS A 35 -6.730 7.746 -11.542 1.00 40.31 C ATOM 535 CG LYS A 35 -7.087 9.056 -10.802 1.00 43.23 C ATOM 536 CD LYS A 35 -8.335 9.763 -11.387 1.00 71.41 C ATOM 537 CE LYS A 35 -8.147 10.196 -12.850 1.00 74.05 C ATOM 538 NZ LYS A 35 -7.014 11.144 -13.006 1.00 71.30 N ATOM 0 H LYS A 35 -6.788 6.829 -9.239 1.00 42.41 H new ATOM 0 HA LYS A 35 -5.393 6.052 -11.539 1.00 42.31 H new ATOM 0 HB2 LYS A 35 -6.492 7.986 -12.578 1.00 40.31 H new ATOM 0 HB3 LYS A 35 -7.611 7.105 -11.558 1.00 40.31 H new ATOM 0 HG2 LYS A 35 -7.262 8.835 -9.749 1.00 43.23 H new ATOM 0 HG3 LYS A 35 -6.236 9.736 -10.848 1.00 43.23 H new ATOM 0 HD2 LYS A 35 -9.191 9.092 -11.319 1.00 71.41 H new ATOM 0 HD3 LYS A 35 -8.567 10.639 -10.781 1.00 71.41 H new ATOM 0 HE2 LYS A 35 -7.972 9.316 -13.469 1.00 74.05 H new ATOM 0 HE3 LYS A 35 -9.063 10.663 -13.211 1.00 74.05 H new ATOM 0 HZ1 LYS A 35 -6.994 11.503 -13.982 1.00 71.30 H new ATOM 0 HZ2 LYS A 35 -7.134 11.939 -12.347 1.00 71.30 H new ATOM 0 HZ3 LYS A 35 -6.120 10.654 -12.799 1.00 71.30 H new ATOM 552 N GLU A 36 -4.015 8.619 -9.963 1.00 0.14 N ATOM 553 CA GLU A 36 -2.787 9.423 -9.828 1.00 2.51 C ATOM 554 C GLU A 36 -1.581 8.519 -9.534 1.00 53.54 C ATOM 555 O GLU A 36 -0.517 8.647 -10.147 1.00 41.02 O ATOM 556 CB GLU A 36 -2.957 10.442 -8.669 1.00 5.52 C ATOM 557 CG GLU A 36 -1.795 11.440 -8.480 1.00 13.35 C ATOM 558 CD GLU A 36 -1.646 12.429 -9.653 1.00 61.32 C ATOM 559 OE1 GLU A 36 -2.527 13.293 -9.816 1.00 10.45 O ATOM 560 OE2 GLU A 36 -0.648 12.356 -10.402 1.00 53.24 O ATOM 0 H GLU A 36 -4.688 8.771 -9.212 1.00 0.14 H new ATOM 0 HA GLU A 36 -2.613 9.952 -10.765 1.00 2.51 H new ATOM 0 HB2 GLU A 36 -3.873 11.007 -8.838 1.00 5.52 H new ATOM 0 HB3 GLU A 36 -3.091 9.888 -7.740 1.00 5.52 H new ATOM 0 HG2 GLU A 36 -1.953 12.001 -7.559 1.00 13.35 H new ATOM 0 HG3 GLU A 36 -0.864 10.885 -8.361 1.00 13.35 H new ATOM 567 N ILE A 37 -1.785 7.603 -8.578 1.00 73.10 N ATOM 568 CA ILE A 37 -0.720 6.783 -7.990 1.00 22.22 C ATOM 569 C ILE A 37 -0.200 5.711 -8.972 1.00 75.40 C ATOM 570 O ILE A 37 1.019 5.554 -9.134 1.00 3.14 O ATOM 571 CB ILE A 37 -1.239 6.137 -6.653 1.00 12.41 C ATOM 572 CG1 ILE A 37 -1.860 7.238 -5.717 1.00 51.22 C ATOM 573 CG2 ILE A 37 -0.123 5.364 -5.930 1.00 44.54 C ATOM 574 CD1 ILE A 37 -0.982 8.469 -5.480 1.00 12.22 C ATOM 0 H ILE A 37 -2.707 7.409 -8.187 1.00 73.10 H new ATOM 0 HA ILE A 37 0.130 7.429 -7.769 1.00 22.22 H new ATOM 0 HB ILE A 37 -2.019 5.419 -6.907 1.00 12.41 H new ATOM 0 HG12 ILE A 37 -2.806 7.565 -6.147 1.00 51.22 H new ATOM 0 HG13 ILE A 37 -2.088 6.784 -4.753 1.00 51.22 H new ATOM 0 HG21 ILE A 37 -0.517 4.931 -5.011 1.00 44.54 H new ATOM 0 HG22 ILE A 37 0.246 4.568 -6.577 1.00 44.54 H new ATOM 0 HG23 ILE A 37 0.694 6.044 -5.690 1.00 44.54 H new ATOM 0 HD11 ILE A 37 -1.502 9.166 -4.822 1.00 12.22 H new ATOM 0 HD12 ILE A 37 -0.044 8.163 -5.016 1.00 12.22 H new ATOM 0 HD13 ILE A 37 -0.774 8.956 -6.433 1.00 12.22 H new ATOM 586 N ILE A 38 -1.144 5.004 -9.633 1.00 4.22 N ATOM 587 CA ILE A 38 -0.858 4.031 -10.717 1.00 70.22 C ATOM 588 C ILE A 38 -0.034 4.704 -11.842 1.00 14.11 C ATOM 589 O ILE A 38 0.918 4.118 -12.376 1.00 14.25 O ATOM 590 CB ILE A 38 -2.212 3.424 -11.301 1.00 14.33 C ATOM 591 CG1 ILE A 38 -2.910 2.500 -10.238 1.00 64.12 C ATOM 592 CG2 ILE A 38 -1.999 2.670 -12.643 1.00 0.33 C ATOM 593 CD1 ILE A 38 -4.252 1.916 -10.673 1.00 11.44 C ATOM 0 H ILE A 38 -2.139 5.093 -9.428 1.00 4.22 H new ATOM 0 HA ILE A 38 -0.271 3.213 -10.299 1.00 70.22 H new ATOM 0 HB ILE A 38 -2.871 4.265 -11.518 1.00 14.33 H new ATOM 0 HG12 ILE A 38 -2.236 1.679 -9.994 1.00 64.12 H new ATOM 0 HG13 ILE A 38 -3.060 3.073 -9.323 1.00 64.12 H new ATOM 0 HG21 ILE A 38 -2.953 2.277 -12.995 1.00 0.33 H new ATOM 0 HG22 ILE A 38 -1.593 3.357 -13.386 1.00 0.33 H new ATOM 0 HG23 ILE A 38 -1.302 1.846 -12.491 1.00 0.33 H new ATOM 0 HD11 ILE A 38 -4.654 1.294 -9.874 1.00 11.44 H new ATOM 0 HD12 ILE A 38 -4.949 2.726 -10.888 1.00 11.44 H new ATOM 0 HD13 ILE A 38 -4.112 1.311 -11.569 1.00 11.44 H new ATOM 605 N ASP A 39 -0.388 5.967 -12.132 1.00 61.30 N ATOM 606 CA ASP A 39 0.248 6.769 -13.186 1.00 3.15 C ATOM 607 C ASP A 39 1.723 7.074 -12.835 1.00 33.23 C ATOM 608 O ASP A 39 2.604 6.960 -13.691 1.00 52.45 O ATOM 609 CB ASP A 39 -0.567 8.070 -13.403 1.00 42.12 C ATOM 610 CG ASP A 39 -0.058 8.923 -14.574 1.00 74.35 C ATOM 611 OD1 ASP A 39 -0.329 8.561 -15.741 1.00 61.03 O ATOM 612 OD2 ASP A 39 0.604 9.951 -14.341 1.00 40.51 O ATOM 0 H ASP A 39 -1.129 6.462 -11.637 1.00 61.30 H new ATOM 0 HA ASP A 39 0.254 6.202 -14.117 1.00 3.15 H new ATOM 0 HB2 ASP A 39 -1.611 7.810 -13.580 1.00 42.12 H new ATOM 0 HB3 ASP A 39 -0.537 8.665 -12.490 1.00 42.12 H new ATOM 617 N ARG A 40 1.992 7.408 -11.556 1.00 72.33 N ATOM 618 CA ARG A 40 3.358 7.744 -11.085 1.00 64.41 C ATOM 619 C ARG A 40 4.220 6.474 -10.905 1.00 42.11 C ATOM 620 O ARG A 40 5.457 6.560 -10.932 1.00 73.12 O ATOM 621 CB ARG A 40 3.309 8.572 -9.777 1.00 64.05 C ATOM 622 CG ARG A 40 2.525 9.890 -9.890 1.00 30.22 C ATOM 623 CD ARG A 40 2.577 10.745 -8.608 1.00 43.22 C ATOM 624 NE ARG A 40 1.779 11.967 -8.764 1.00 13.13 N ATOM 625 CZ ARG A 40 2.045 13.168 -8.233 1.00 23.12 C ATOM 626 NH1 ARG A 40 3.130 13.366 -7.492 1.00 1.03 N ATOM 627 NH2 ARG A 40 1.228 14.182 -8.491 1.00 25.13 N ATOM 0 H ARG A 40 1.281 7.453 -10.826 1.00 72.33 H new ATOM 0 HA ARG A 40 3.829 8.357 -11.853 1.00 64.41 H new ATOM 0 HB2 ARG A 40 2.861 7.963 -8.992 1.00 64.05 H new ATOM 0 HB3 ARG A 40 4.329 8.795 -9.464 1.00 64.05 H new ATOM 0 HG2 ARG A 40 2.923 10.471 -10.722 1.00 30.22 H new ATOM 0 HG3 ARG A 40 1.485 9.666 -10.127 1.00 30.22 H new ATOM 0 HD2 ARG A 40 2.203 10.166 -7.764 1.00 43.22 H new ATOM 0 HD3 ARG A 40 3.611 11.007 -8.382 1.00 43.22 H new ATOM 0 HE ARG A 40 0.937 11.895 -9.334 1.00 13.13 H new ATOM 0 HH11 ARG A 40 3.777 12.597 -7.319 1.00 1.03 H new ATOM 0 HH12 ARG A 40 3.316 14.287 -7.096 1.00 1.03 H new ATOM 0 HH21 ARG A 40 0.412 14.041 -9.086 1.00 25.13 H new ATOM 0 HH22 ARG A 40 1.417 15.103 -8.094 1.00 25.13 H new ATOM 641 N LEU A 41 3.562 5.307 -10.700 1.00 25.03 N ATOM 642 CA LEU A 41 4.230 3.982 -10.759 1.00 65.14 C ATOM 643 C LEU A 41 4.798 3.760 -12.177 1.00 3.33 C ATOM 644 O LEU A 41 5.969 3.429 -12.347 1.00 14.11 O ATOM 645 CB LEU A 41 3.245 2.825 -10.390 1.00 54.04 C ATOM 646 CG LEU A 41 2.718 2.793 -8.921 1.00 53.42 C ATOM 647 CD1 LEU A 41 1.641 1.694 -8.736 1.00 1.42 C ATOM 648 CD2 LEU A 41 3.879 2.628 -7.916 1.00 63.55 C ATOM 0 H LEU A 41 2.565 5.256 -10.491 1.00 25.03 H new ATOM 0 HA LEU A 41 5.039 3.972 -10.028 1.00 65.14 H new ATOM 0 HB2 LEU A 41 2.386 2.884 -11.058 1.00 54.04 H new ATOM 0 HB3 LEU A 41 3.743 1.877 -10.593 1.00 54.04 H new ATOM 0 HG LEU A 41 2.243 3.752 -8.715 1.00 53.42 H new ATOM 0 HD11 LEU A 41 1.293 1.696 -7.703 1.00 1.42 H new ATOM 0 HD12 LEU A 41 0.801 1.892 -9.402 1.00 1.42 H new ATOM 0 HD13 LEU A 41 2.070 0.720 -8.972 1.00 1.42 H new ATOM 0 HD21 LEU A 41 3.482 2.609 -6.901 1.00 63.55 H new ATOM 0 HD22 LEU A 41 4.405 1.695 -8.117 1.00 63.55 H new ATOM 0 HD23 LEU A 41 4.571 3.464 -8.019 1.00 63.55 H new ATOM 660 N LYS A 42 3.951 4.026 -13.185 1.00 54.34 N ATOM 661 CA LYS A 42 4.305 3.899 -14.620 1.00 54.23 C ATOM 662 C LYS A 42 5.433 4.872 -15.031 1.00 42.05 C ATOM 663 O LYS A 42 6.182 4.603 -15.966 1.00 43.14 O ATOM 664 CB LYS A 42 3.042 4.151 -15.478 1.00 64.34 C ATOM 665 CG LYS A 42 1.909 3.128 -15.257 1.00 22.55 C ATOM 666 CD LYS A 42 0.600 3.469 -16.021 1.00 0.45 C ATOM 667 CE LYS A 42 0.673 3.236 -17.547 1.00 60.21 C ATOM 668 NZ LYS A 42 1.592 4.177 -18.253 1.00 73.20 N ATOM 0 H LYS A 42 2.992 4.338 -13.032 1.00 54.34 H new ATOM 0 HA LYS A 42 4.679 2.889 -14.789 1.00 54.23 H new ATOM 0 HB2 LYS A 42 2.662 5.149 -15.260 1.00 64.34 H new ATOM 0 HB3 LYS A 42 3.324 4.141 -16.531 1.00 64.34 H new ATOM 0 HG2 LYS A 42 2.255 2.143 -15.570 1.00 22.55 H new ATOM 0 HG3 LYS A 42 1.691 3.066 -14.191 1.00 22.55 H new ATOM 0 HD2 LYS A 42 -0.212 2.868 -15.612 1.00 0.45 H new ATOM 0 HD3 LYS A 42 0.347 4.513 -15.837 1.00 0.45 H new ATOM 0 HE2 LYS A 42 1.000 2.213 -17.734 1.00 60.21 H new ATOM 0 HE3 LYS A 42 -0.327 3.333 -17.969 1.00 60.21 H new ATOM 0 HZ1 LYS A 42 1.172 4.455 -19.163 1.00 73.20 H new ATOM 0 HZ2 LYS A 42 1.739 5.024 -17.667 1.00 73.20 H new ATOM 0 HZ3 LYS A 42 2.506 3.709 -18.421 1.00 73.20 H new ATOM 682 N ARG A 43 5.527 6.016 -14.331 1.00 71.44 N ATOM 683 CA ARG A 43 6.594 7.018 -14.555 1.00 61.23 C ATOM 684 C ARG A 43 7.895 6.656 -13.801 1.00 14.44 C ATOM 685 O ARG A 43 8.926 7.298 -14.025 1.00 32.45 O ATOM 686 CB ARG A 43 6.102 8.426 -14.120 1.00 55.13 C ATOM 687 CG ARG A 43 4.889 8.949 -14.914 1.00 1.32 C ATOM 688 CD ARG A 43 4.444 10.361 -14.481 1.00 32.14 C ATOM 689 NE ARG A 43 3.232 10.800 -15.200 1.00 52.51 N ATOM 690 CZ ARG A 43 2.919 12.069 -15.519 1.00 15.10 C ATOM 691 NH1 ARG A 43 3.728 13.084 -15.201 1.00 30.21 N ATOM 692 NH2 ARG A 43 1.774 12.312 -16.137 1.00 62.04 N ATOM 0 H ARG A 43 4.870 6.275 -13.595 1.00 71.44 H new ATOM 0 HA ARG A 43 6.822 7.023 -15.621 1.00 61.23 H new ATOM 0 HB2 ARG A 43 5.843 8.396 -13.062 1.00 55.13 H new ATOM 0 HB3 ARG A 43 6.924 9.134 -14.227 1.00 55.13 H new ATOM 0 HG2 ARG A 43 5.136 8.962 -15.976 1.00 1.32 H new ATOM 0 HG3 ARG A 43 4.055 8.258 -14.789 1.00 1.32 H new ATOM 0 HD2 ARG A 43 4.252 10.368 -13.408 1.00 32.14 H new ATOM 0 HD3 ARG A 43 5.252 11.069 -14.665 1.00 32.14 H new ATOM 0 HE ARG A 43 2.571 10.075 -15.481 1.00 52.51 H new ATOM 0 HH11 ARG A 43 4.602 12.904 -14.707 1.00 30.21 H new ATOM 0 HH12 ARG A 43 3.471 14.039 -15.452 1.00 30.21 H new ATOM 0 HH21 ARG A 43 1.144 11.543 -16.364 1.00 62.04 H new ATOM 0 HH22 ARG A 43 1.522 13.268 -16.386 1.00 62.04 H new ATOM 706 N ARG A 44 7.821 5.626 -12.923 1.00 64.44 N ATOM 707 CA ARG A 44 8.929 5.190 -12.022 1.00 64.25 C ATOM 708 C ARG A 44 9.306 6.307 -11.011 1.00 34.14 C ATOM 709 O ARG A 44 10.397 6.293 -10.426 1.00 44.41 O ATOM 710 CB ARG A 44 10.193 4.685 -12.814 1.00 44.13 C ATOM 711 CG ARG A 44 10.083 3.280 -13.473 1.00 41.21 C ATOM 712 CD ARG A 44 9.059 3.189 -14.624 1.00 41.11 C ATOM 713 NE ARG A 44 9.143 1.898 -15.340 1.00 43.35 N ATOM 714 CZ ARG A 44 8.449 1.569 -16.446 1.00 3.13 C ATOM 715 NH1 ARG A 44 7.587 2.414 -17.012 1.00 74.12 N ATOM 716 NH2 ARG A 44 8.628 0.376 -16.987 1.00 74.44 N ATOM 0 H ARG A 44 6.978 5.062 -12.815 1.00 64.44 H new ATOM 0 HA ARG A 44 8.554 4.336 -11.459 1.00 64.25 H new ATOM 0 HB2 ARG A 44 10.419 5.411 -13.595 1.00 44.13 H new ATOM 0 HB3 ARG A 44 11.043 4.676 -12.131 1.00 44.13 H new ATOM 0 HG2 ARG A 44 11.064 2.994 -13.853 1.00 41.21 H new ATOM 0 HG3 ARG A 44 9.814 2.554 -12.706 1.00 41.21 H new ATOM 0 HD2 ARG A 44 8.053 3.317 -14.225 1.00 41.11 H new ATOM 0 HD3 ARG A 44 9.230 4.005 -15.326 1.00 41.11 H new ATOM 0 HE ARG A 44 9.781 1.197 -14.964 1.00 43.35 H new ATOM 0 HH11 ARG A 44 7.439 3.338 -16.607 1.00 74.12 H new ATOM 0 HH12 ARG A 44 7.076 2.136 -17.850 1.00 74.12 H new ATOM 0 HH21 ARG A 44 9.285 -0.281 -16.566 1.00 74.44 H new ATOM 0 HH22 ARG A 44 8.109 0.113 -17.825 1.00 74.44 H new ATOM 730 N ASN A 45 8.358 7.242 -10.792 1.00 50.51 N ATOM 731 CA ASN A 45 8.520 8.389 -9.875 1.00 63.13 C ATOM 732 C ASN A 45 8.297 7.965 -8.415 1.00 52.12 C ATOM 733 O ASN A 45 8.764 8.646 -7.498 1.00 35.43 O ATOM 734 CB ASN A 45 7.549 9.547 -10.271 1.00 44.44 C ATOM 735 CG ASN A 45 7.981 10.364 -11.508 1.00 23.13 C ATOM 736 OD1 ASN A 45 7.665 11.549 -11.613 1.00 2.45 O ATOM 737 ND2 ASN A 45 8.710 9.763 -12.444 1.00 61.04 N ATOM 0 H ASN A 45 7.448 7.221 -11.252 1.00 50.51 H new ATOM 0 HA ASN A 45 9.544 8.752 -9.964 1.00 63.13 H new ATOM 0 HB2 ASN A 45 6.562 9.125 -10.459 1.00 44.44 H new ATOM 0 HB3 ASN A 45 7.450 10.224 -9.423 1.00 44.44 H new ATOM 0 HD21 ASN A 45 9.016 10.285 -13.265 1.00 61.04 H new ATOM 0 HD22 ASN A 45 8.963 8.780 -12.341 1.00 61.04 H new ATOM 744 N ILE A 46 7.577 6.839 -8.214 1.00 61.34 N ATOM 745 CA ILE A 46 7.332 6.261 -6.879 1.00 53.32 C ATOM 746 C ILE A 46 8.397 5.199 -6.579 1.00 21.25 C ATOM 747 O ILE A 46 8.658 4.323 -7.413 1.00 63.20 O ATOM 748 CB ILE A 46 5.886 5.645 -6.743 1.00 14.24 C ATOM 749 CG1 ILE A 46 4.816 6.747 -7.006 1.00 12.41 C ATOM 750 CG2 ILE A 46 5.674 4.990 -5.347 1.00 14.42 C ATOM 751 CD1 ILE A 46 3.374 6.291 -6.892 1.00 23.53 C ATOM 0 H ILE A 46 7.151 6.308 -8.973 1.00 61.34 H new ATOM 0 HA ILE A 46 7.398 7.069 -6.150 1.00 53.32 H new ATOM 0 HB ILE A 46 5.777 4.858 -7.489 1.00 14.24 H new ATOM 0 HG12 ILE A 46 4.978 7.563 -6.302 1.00 12.41 H new ATOM 0 HG13 ILE A 46 4.974 7.152 -8.006 1.00 12.41 H new ATOM 0 HG21 ILE A 46 4.667 4.576 -5.288 1.00 14.42 H new ATOM 0 HG22 ILE A 46 6.403 4.192 -5.205 1.00 14.42 H new ATOM 0 HG23 ILE A 46 5.803 5.742 -4.569 1.00 14.42 H new ATOM 0 HD11 ILE A 46 2.710 7.131 -7.093 1.00 23.53 H new ATOM 0 HD12 ILE A 46 3.185 5.498 -7.615 1.00 23.53 H new ATOM 0 HD13 ILE A 46 3.190 5.915 -5.885 1.00 23.53 H new ATOM 763 N ASP A 47 9.009 5.302 -5.387 1.00 71.12 N ATOM 764 CA ASP A 47 10.063 4.379 -4.933 1.00 3.34 C ATOM 765 C ASP A 47 9.436 3.209 -4.175 1.00 31.22 C ATOM 766 O ASP A 47 9.802 2.051 -4.380 1.00 2.44 O ATOM 767 CB ASP A 47 11.076 5.137 -4.038 1.00 4.23 C ATOM 768 CG ASP A 47 12.081 4.219 -3.313 1.00 51.25 C ATOM 769 OD1 ASP A 47 11.903 3.946 -2.103 1.00 65.21 O ATOM 770 OD2 ASP A 47 13.044 3.744 -3.948 1.00 24.45 O ATOM 0 H ASP A 47 8.786 6.030 -4.709 1.00 71.12 H new ATOM 0 HA ASP A 47 10.596 3.983 -5.797 1.00 3.34 H new ATOM 0 HB2 ASP A 47 11.627 5.848 -4.653 1.00 4.23 H new ATOM 0 HB3 ASP A 47 10.527 5.716 -3.295 1.00 4.23 H new ATOM 775 N MET A 48 8.490 3.536 -3.296 1.00 71.23 N ATOM 776 CA MET A 48 7.824 2.561 -2.434 1.00 10.34 C ATOM 777 C MET A 48 6.385 3.012 -2.169 1.00 3.11 C ATOM 778 O MET A 48 6.124 4.194 -1.919 1.00 31.53 O ATOM 779 CB MET A 48 8.633 2.353 -1.121 1.00 42.40 C ATOM 780 CG MET A 48 8.917 3.627 -0.312 1.00 2.31 C ATOM 781 SD MET A 48 10.065 3.356 1.060 1.00 54.21 S ATOM 782 CE MET A 48 9.227 2.082 1.996 1.00 50.04 C ATOM 0 H MET A 48 8.162 4.492 -3.161 1.00 71.23 H new ATOM 0 HA MET A 48 7.782 1.593 -2.933 1.00 10.34 H new ATOM 0 HB2 MET A 48 8.089 1.654 -0.486 1.00 42.40 H new ATOM 0 HB3 MET A 48 9.584 1.883 -1.371 1.00 42.40 H new ATOM 0 HG2 MET A 48 9.327 4.388 -0.976 1.00 2.31 H new ATOM 0 HG3 MET A 48 7.978 4.018 0.080 1.00 2.31 H new ATOM 0 HE1 MET A 48 9.718 1.958 2.961 1.00 50.04 H new ATOM 0 HE2 MET A 48 8.187 2.369 2.152 1.00 50.04 H new ATOM 0 HE3 MET A 48 9.265 1.142 1.446 1.00 50.04 H new ATOM 792 N ILE A 49 5.455 2.059 -2.249 1.00 74.33 N ATOM 793 CA ILE A 49 4.018 2.318 -2.172 1.00 71.04 C ATOM 794 C ILE A 49 3.372 1.301 -1.217 1.00 51.30 C ATOM 795 O ILE A 49 3.679 0.111 -1.263 1.00 0.42 O ATOM 796 CB ILE A 49 3.351 2.253 -3.604 1.00 12.21 C ATOM 797 CG1 ILE A 49 1.798 2.448 -3.524 1.00 71.21 C ATOM 798 CG2 ILE A 49 3.724 0.948 -4.359 1.00 75.25 C ATOM 799 CD1 ILE A 49 1.063 2.278 -4.844 1.00 33.30 C ATOM 0 H ILE A 49 5.683 1.072 -2.371 1.00 74.33 H new ATOM 0 HA ILE A 49 3.857 3.325 -1.786 1.00 71.04 H new ATOM 0 HB ILE A 49 3.756 3.083 -4.183 1.00 12.21 H new ATOM 0 HG12 ILE A 49 1.393 1.735 -2.805 1.00 71.21 H new ATOM 0 HG13 ILE A 49 1.591 3.445 -3.135 1.00 71.21 H new ATOM 0 HG21 ILE A 49 3.245 0.944 -5.338 1.00 75.25 H new ATOM 0 HG22 ILE A 49 4.806 0.897 -4.484 1.00 75.25 H new ATOM 0 HG23 ILE A 49 3.384 0.086 -3.785 1.00 75.25 H new ATOM 0 HD11 ILE A 49 -0.005 2.432 -4.688 1.00 33.30 H new ATOM 0 HD12 ILE A 49 1.433 3.008 -5.563 1.00 33.30 H new ATOM 0 HD13 ILE A 49 1.233 1.272 -5.228 1.00 33.30 H new ATOM 811 N ILE A 50 2.514 1.788 -0.315 1.00 31.32 N ATOM 812 CA ILE A 50 1.761 0.948 0.626 1.00 51.05 C ATOM 813 C ILE A 50 0.269 1.172 0.356 1.00 50.23 C ATOM 814 O ILE A 50 -0.218 2.296 0.475 1.00 3.05 O ATOM 815 CB ILE A 50 2.132 1.294 2.118 1.00 10.55 C ATOM 816 CG1 ILE A 50 3.676 1.147 2.336 1.00 21.04 C ATOM 817 CG2 ILE A 50 1.332 0.405 3.104 1.00 74.00 C ATOM 818 CD1 ILE A 50 4.185 1.531 3.710 1.00 70.24 C ATOM 0 H ILE A 50 2.320 2.784 -0.215 1.00 31.32 H new ATOM 0 HA ILE A 50 2.014 -0.102 0.480 1.00 51.05 H new ATOM 0 HB ILE A 50 1.858 2.330 2.318 1.00 10.55 H new ATOM 0 HG12 ILE A 50 3.955 0.111 2.142 1.00 21.04 H new ATOM 0 HG13 ILE A 50 4.189 1.759 1.594 1.00 21.04 H new ATOM 0 HG21 ILE A 50 1.604 0.661 4.128 1.00 74.00 H new ATOM 0 HG22 ILE A 50 0.264 0.571 2.960 1.00 74.00 H new ATOM 0 HG23 ILE A 50 1.564 -0.644 2.919 1.00 74.00 H new ATOM 0 HD11 ILE A 50 5.265 1.391 3.750 1.00 70.24 H new ATOM 0 HD12 ILE A 50 3.947 2.576 3.907 1.00 70.24 H new ATOM 0 HD13 ILE A 50 3.709 0.903 4.463 1.00 70.24 H new ATOM 830 N VAL A 51 -0.424 0.112 -0.078 1.00 61.32 N ATOM 831 CA VAL A 51 -1.839 0.170 -0.475 1.00 33.41 C ATOM 832 C VAL A 51 -2.699 -0.536 0.575 1.00 50.43 C ATOM 833 O VAL A 51 -2.353 -1.632 1.020 1.00 32.32 O ATOM 834 CB VAL A 51 -2.076 -0.514 -1.877 1.00 41.31 C ATOM 835 CG1 VAL A 51 -3.528 -0.313 -2.375 1.00 60.34 C ATOM 836 CG2 VAL A 51 -1.065 -0.004 -2.919 1.00 74.10 C ATOM 0 H VAL A 51 -0.016 -0.819 -0.165 1.00 61.32 H new ATOM 0 HA VAL A 51 -2.120 1.220 -0.551 1.00 33.41 H new ATOM 0 HB VAL A 51 -1.920 -1.585 -1.745 1.00 41.31 H new ATOM 0 HG11 VAL A 51 -3.651 -0.798 -3.343 1.00 60.34 H new ATOM 0 HG12 VAL A 51 -4.222 -0.751 -1.658 1.00 60.34 H new ATOM 0 HG13 VAL A 51 -3.734 0.753 -2.475 1.00 60.34 H new ATOM 0 HG21 VAL A 51 -1.251 -0.492 -3.876 1.00 74.10 H new ATOM 0 HG22 VAL A 51 -1.174 1.074 -3.034 1.00 74.10 H new ATOM 0 HG23 VAL A 51 -0.053 -0.233 -2.586 1.00 74.10 H new ATOM 846 N LYS A 52 -3.805 0.109 0.970 1.00 15.52 N ATOM 847 CA LYS A 52 -4.845 -0.493 1.799 1.00 13.41 C ATOM 848 C LYS A 52 -6.183 -0.393 1.050 1.00 3.40 C ATOM 849 O LYS A 52 -6.752 0.693 0.905 1.00 73.44 O ATOM 850 CB LYS A 52 -4.903 0.202 3.185 1.00 74.14 C ATOM 851 CG LYS A 52 -6.119 -0.185 4.061 1.00 33.22 C ATOM 852 CD LYS A 52 -6.221 -1.686 4.382 1.00 64.13 C ATOM 853 CE LYS A 52 -7.460 -1.996 5.230 1.00 30.21 C ATOM 854 NZ LYS A 52 -8.719 -1.558 4.570 1.00 1.12 N ATOM 0 H LYS A 52 -4.000 1.077 0.716 1.00 15.52 H new ATOM 0 HA LYS A 52 -4.623 -1.544 1.983 1.00 13.41 H new ATOM 0 HB2 LYS A 52 -3.990 -0.035 3.732 1.00 74.14 H new ATOM 0 HB3 LYS A 52 -4.913 1.281 3.033 1.00 74.14 H new ATOM 0 HG2 LYS A 52 -6.068 0.371 4.997 1.00 33.22 H new ATOM 0 HG3 LYS A 52 -7.031 0.128 3.553 1.00 33.22 H new ATOM 0 HD2 LYS A 52 -6.262 -2.256 3.454 1.00 64.13 H new ATOM 0 HD3 LYS A 52 -5.325 -2.007 4.914 1.00 64.13 H new ATOM 0 HE2 LYS A 52 -7.507 -3.068 5.423 1.00 30.21 H new ATOM 0 HE3 LYS A 52 -7.368 -1.502 6.197 1.00 30.21 H new ATOM 0 HZ1 LYS A 52 -9.453 -2.281 4.708 1.00 1.12 H new ATOM 0 HZ2 LYS A 52 -9.035 -0.659 4.987 1.00 1.12 H new ATOM 0 HZ3 LYS A 52 -8.550 -1.427 3.552 1.00 1.12 H new ATOM 868 N THR A 53 -6.643 -1.537 0.542 1.00 53.34 N ATOM 869 CA THR A 53 -7.958 -1.691 -0.090 1.00 14.42 C ATOM 870 C THR A 53 -8.349 -3.172 -0.020 1.00 13.04 C ATOM 871 O THR A 53 -7.484 -4.056 -0.094 1.00 31.11 O ATOM 872 CB THR A 53 -7.999 -1.156 -1.576 1.00 34.45 C ATOM 873 OG1 THR A 53 -9.306 -1.348 -2.151 1.00 11.21 O ATOM 874 CG2 THR A 53 -6.946 -1.816 -2.477 1.00 75.42 C ATOM 0 H THR A 53 -6.102 -2.402 0.558 1.00 53.34 H new ATOM 0 HA THR A 53 -8.678 -1.080 0.453 1.00 14.42 H new ATOM 0 HB THR A 53 -7.769 -0.092 -1.522 1.00 34.45 H new ATOM 0 HG1 THR A 53 -9.312 -1.009 -3.070 1.00 11.21 H new ATOM 0 HG21 THR A 53 -7.023 -1.408 -3.485 1.00 75.42 H new ATOM 0 HG22 THR A 53 -5.951 -1.617 -2.080 1.00 75.42 H new ATOM 0 HG23 THR A 53 -7.116 -2.892 -2.507 1.00 75.42 H new ATOM 882 N GLU A 54 -9.649 -3.430 0.158 1.00 13.12 N ATOM 883 CA GLU A 54 -10.205 -4.794 0.235 1.00 0.33 C ATOM 884 C GLU A 54 -10.649 -5.262 -1.175 1.00 44.21 C ATOM 885 O GLU A 54 -11.207 -6.337 -1.331 1.00 54.22 O ATOM 886 CB GLU A 54 -11.385 -4.826 1.257 1.00 3.45 C ATOM 887 CG GLU A 54 -11.842 -6.247 1.681 1.00 62.40 C ATOM 888 CD GLU A 54 -13.133 -6.236 2.513 1.00 42.13 C ATOM 889 OE1 GLU A 54 -13.058 -6.134 3.753 1.00 25.42 O ATOM 890 OE2 GLU A 54 -14.234 -6.306 1.920 1.00 3.13 O ATOM 0 H GLU A 54 -10.352 -2.698 0.254 1.00 13.12 H new ATOM 0 HA GLU A 54 -9.441 -5.486 0.588 1.00 0.33 H new ATOM 0 HB2 GLU A 54 -11.089 -4.274 2.149 1.00 3.45 H new ATOM 0 HB3 GLU A 54 -12.236 -4.300 0.824 1.00 3.45 H new ATOM 0 HG2 GLU A 54 -11.995 -6.855 0.789 1.00 62.40 H new ATOM 0 HG3 GLU A 54 -11.048 -6.722 2.258 1.00 62.40 H new ATOM 897 N ASP A 55 -10.384 -4.444 -2.209 1.00 62.53 N ATOM 898 CA ASP A 55 -10.738 -4.776 -3.601 1.00 73.10 C ATOM 899 C ASP A 55 -9.542 -5.478 -4.277 1.00 73.44 C ATOM 900 O ASP A 55 -8.571 -4.826 -4.662 1.00 72.01 O ATOM 901 CB ASP A 55 -11.147 -3.486 -4.358 1.00 42.13 C ATOM 902 CG ASP A 55 -11.762 -3.760 -5.743 1.00 25.35 C ATOM 903 OD1 ASP A 55 -11.014 -3.834 -6.745 1.00 33.53 O ATOM 904 OD2 ASP A 55 -13.003 -3.919 -5.832 1.00 54.22 O ATOM 0 H ASP A 55 -9.922 -3.541 -2.105 1.00 62.53 H new ATOM 0 HA ASP A 55 -11.589 -5.457 -3.621 1.00 73.10 H new ATOM 0 HB2 ASP A 55 -11.864 -2.930 -3.754 1.00 42.13 H new ATOM 0 HB3 ASP A 55 -10.270 -2.850 -4.477 1.00 42.13 H new ATOM 909 N LYS A 56 -9.621 -6.816 -4.379 1.00 10.14 N ATOM 910 CA LYS A 56 -8.539 -7.680 -4.917 1.00 52.31 C ATOM 911 C LYS A 56 -8.160 -7.355 -6.380 1.00 34.31 C ATOM 912 O LYS A 56 -7.019 -7.605 -6.793 1.00 23.44 O ATOM 913 CB LYS A 56 -8.937 -9.176 -4.768 1.00 34.25 C ATOM 914 CG LYS A 56 -10.272 -9.562 -5.442 1.00 54.24 C ATOM 915 CD LYS A 56 -10.722 -11.007 -5.123 1.00 3.31 C ATOM 916 CE LYS A 56 -9.748 -12.074 -5.654 1.00 31.03 C ATOM 917 NZ LYS A 56 -9.649 -12.063 -7.138 1.00 70.35 N ATOM 0 H LYS A 56 -10.446 -7.341 -4.088 1.00 10.14 H new ATOM 0 HA LYS A 56 -7.646 -7.475 -4.327 1.00 52.31 H new ATOM 0 HB2 LYS A 56 -8.142 -9.792 -5.189 1.00 34.25 H new ATOM 0 HB3 LYS A 56 -8.999 -9.417 -3.707 1.00 34.25 H new ATOM 0 HG2 LYS A 56 -11.048 -8.868 -5.120 1.00 54.24 H new ATOM 0 HG3 LYS A 56 -10.172 -9.450 -6.522 1.00 54.24 H new ATOM 0 HD2 LYS A 56 -10.822 -11.120 -4.043 1.00 3.31 H new ATOM 0 HD3 LYS A 56 -11.709 -11.177 -5.554 1.00 3.31 H new ATOM 0 HE2 LYS A 56 -8.760 -11.906 -5.225 1.00 31.03 H new ATOM 0 HE3 LYS A 56 -10.076 -13.059 -5.322 1.00 31.03 H new ATOM 0 HZ1 LYS A 56 -9.989 -12.970 -7.515 1.00 70.35 H new ATOM 0 HZ2 LYS A 56 -10.230 -11.289 -7.519 1.00 70.35 H new ATOM 0 HZ3 LYS A 56 -8.658 -11.921 -7.419 1.00 70.35 H new ATOM 931 N GLU A 57 -9.114 -6.786 -7.149 1.00 54.32 N ATOM 932 CA GLU A 57 -8.887 -6.419 -8.560 1.00 70.33 C ATOM 933 C GLU A 57 -8.022 -5.145 -8.666 1.00 13.22 C ATOM 934 O GLU A 57 -7.128 -5.075 -9.517 1.00 72.20 O ATOM 935 CB GLU A 57 -10.238 -6.249 -9.305 1.00 73.11 C ATOM 936 CG GLU A 57 -11.177 -7.478 -9.228 1.00 50.30 C ATOM 937 CD GLU A 57 -10.534 -8.799 -9.697 1.00 43.42 C ATOM 938 OE1 GLU A 57 -10.560 -9.097 -10.913 1.00 25.13 O ATOM 939 OE2 GLU A 57 -10.003 -9.559 -8.845 1.00 21.24 O ATOM 0 H GLU A 57 -10.052 -6.571 -6.812 1.00 54.32 H new ATOM 0 HA GLU A 57 -8.339 -7.229 -9.041 1.00 70.33 H new ATOM 0 HB2 GLU A 57 -10.759 -5.384 -8.893 1.00 73.11 H new ATOM 0 HB3 GLU A 57 -10.035 -6.029 -10.353 1.00 73.11 H new ATOM 0 HG2 GLU A 57 -11.516 -7.598 -8.199 1.00 50.30 H new ATOM 0 HG3 GLU A 57 -12.062 -7.283 -9.834 1.00 50.30 H new ATOM 946 N SER A 58 -8.271 -4.157 -7.777 1.00 74.30 N ATOM 947 CA SER A 58 -7.499 -2.897 -7.751 1.00 52.40 C ATOM 948 C SER A 58 -6.093 -3.156 -7.196 1.00 31.23 C ATOM 949 O SER A 58 -5.125 -2.578 -7.687 1.00 24.31 O ATOM 950 CB SER A 58 -8.219 -1.800 -6.930 1.00 2.11 C ATOM 951 OG SER A 58 -8.377 -2.164 -5.574 1.00 64.34 O ATOM 0 H SER A 58 -9.002 -4.210 -7.068 1.00 74.30 H new ATOM 0 HA SER A 58 -7.416 -2.531 -8.774 1.00 52.40 H new ATOM 0 HB2 SER A 58 -7.651 -0.872 -6.991 1.00 2.11 H new ATOM 0 HB3 SER A 58 -9.198 -1.605 -7.368 1.00 2.11 H new ATOM 0 HG SER A 58 -8.406 -3.141 -5.499 1.00 64.34 H new ATOM 957 N ILE A 59 -6.002 -4.055 -6.182 1.00 43.01 N ATOM 958 CA ILE A 59 -4.718 -4.539 -5.639 1.00 75.35 C ATOM 959 C ILE A 59 -3.851 -5.106 -6.781 1.00 25.44 C ATOM 960 O ILE A 59 -2.692 -4.703 -6.954 1.00 40.55 O ATOM 961 CB ILE A 59 -4.927 -5.656 -4.540 1.00 52.25 C ATOM 962 CG1 ILE A 59 -5.702 -5.116 -3.296 1.00 11.55 C ATOM 963 CG2 ILE A 59 -3.578 -6.267 -4.119 1.00 63.45 C ATOM 964 CD1 ILE A 59 -6.008 -6.160 -2.226 1.00 32.34 C ATOM 0 H ILE A 59 -6.818 -4.460 -5.723 1.00 43.01 H new ATOM 0 HA ILE A 59 -4.218 -3.692 -5.170 1.00 75.35 H new ATOM 0 HB ILE A 59 -5.539 -6.439 -4.988 1.00 52.25 H new ATOM 0 HG12 ILE A 59 -5.119 -4.313 -2.844 1.00 11.55 H new ATOM 0 HG13 ILE A 59 -6.641 -4.677 -3.634 1.00 11.55 H new ATOM 0 HG21 ILE A 59 -3.746 -7.033 -3.362 1.00 63.45 H new ATOM 0 HG22 ILE A 59 -3.094 -6.715 -4.987 1.00 63.45 H new ATOM 0 HG23 ILE A 59 -2.937 -5.486 -3.709 1.00 63.45 H new ATOM 0 HD11 ILE A 59 -6.547 -5.691 -1.403 1.00 32.34 H new ATOM 0 HD12 ILE A 59 -6.620 -6.953 -2.656 1.00 32.34 H new ATOM 0 HD13 ILE A 59 -5.075 -6.583 -1.854 1.00 32.34 H new ATOM 976 N SER A 60 -4.473 -6.010 -7.572 1.00 51.41 N ATOM 977 CA SER A 60 -3.840 -6.659 -8.726 1.00 60.33 C ATOM 978 C SER A 60 -3.256 -5.615 -9.699 1.00 21.11 C ATOM 979 O SER A 60 -2.096 -5.732 -10.095 1.00 23.52 O ATOM 980 CB SER A 60 -4.871 -7.567 -9.437 1.00 72.21 C ATOM 981 OG SER A 60 -4.329 -8.202 -10.581 1.00 60.52 O ATOM 0 H SER A 60 -5.437 -6.307 -7.420 1.00 51.41 H new ATOM 0 HA SER A 60 -3.011 -7.273 -8.375 1.00 60.33 H new ATOM 0 HB2 SER A 60 -5.228 -8.324 -8.739 1.00 72.21 H new ATOM 0 HB3 SER A 60 -5.735 -6.971 -9.730 1.00 72.21 H new ATOM 0 HG SER A 60 -5.014 -8.766 -10.997 1.00 60.52 H new ATOM 987 N GLU A 61 -4.056 -4.560 -10.002 1.00 32.21 N ATOM 988 CA GLU A 61 -3.663 -3.472 -10.927 1.00 52.34 C ATOM 989 C GLU A 61 -2.382 -2.756 -10.463 1.00 4.12 C ATOM 990 O GLU A 61 -1.424 -2.628 -11.248 1.00 23.35 O ATOM 991 CB GLU A 61 -4.825 -2.449 -11.092 1.00 63.15 C ATOM 992 CG GLU A 61 -6.041 -2.993 -11.861 1.00 4.32 C ATOM 993 CD GLU A 61 -5.693 -3.470 -13.287 1.00 70.22 C ATOM 994 OE1 GLU A 61 -5.588 -4.699 -13.519 1.00 51.42 O ATOM 995 OE2 GLU A 61 -5.508 -2.611 -14.176 1.00 64.55 O ATOM 0 H GLU A 61 -4.991 -4.443 -9.611 1.00 32.21 H new ATOM 0 HA GLU A 61 -3.452 -3.929 -11.894 1.00 52.34 H new ATOM 0 HB2 GLU A 61 -5.150 -2.124 -10.104 1.00 63.15 H new ATOM 0 HB3 GLU A 61 -4.447 -1.567 -11.610 1.00 63.15 H new ATOM 0 HG2 GLU A 61 -6.475 -3.823 -11.303 1.00 4.32 H new ATOM 0 HG3 GLU A 61 -6.803 -2.216 -11.920 1.00 4.32 H new ATOM 1002 N ILE A 62 -2.363 -2.317 -9.175 1.00 61.30 N ATOM 1003 CA ILE A 62 -1.191 -1.639 -8.578 1.00 43.44 C ATOM 1004 C ILE A 62 0.070 -2.522 -8.721 1.00 62.10 C ATOM 1005 O ILE A 62 1.083 -2.056 -9.246 1.00 64.35 O ATOM 1006 CB ILE A 62 -1.412 -1.215 -7.052 1.00 74.10 C ATOM 1007 CG1 ILE A 62 -2.213 0.138 -6.919 1.00 42.05 C ATOM 1008 CG2 ILE A 62 -0.065 -1.109 -6.277 1.00 14.31 C ATOM 1009 CD1 ILE A 62 -3.666 0.105 -7.362 1.00 22.33 C ATOM 0 H ILE A 62 -3.149 -2.423 -8.534 1.00 61.30 H new ATOM 0 HA ILE A 62 -1.052 -0.712 -9.134 1.00 43.44 H new ATOM 0 HB ILE A 62 -2.008 -2.010 -6.604 1.00 74.10 H new ATOM 0 HG12 ILE A 62 -2.180 0.454 -5.876 1.00 42.05 H new ATOM 0 HG13 ILE A 62 -1.695 0.901 -7.500 1.00 42.05 H new ATOM 0 HG21 ILE A 62 -0.261 -0.819 -5.245 1.00 14.31 H new ATOM 0 HG22 ILE A 62 0.441 -2.074 -6.293 1.00 14.31 H new ATOM 0 HG23 ILE A 62 0.569 -0.360 -6.750 1.00 14.31 H new ATOM 0 HD11 ILE A 62 -4.111 1.090 -7.224 1.00 22.33 H new ATOM 0 HD12 ILE A 62 -3.719 -0.173 -8.415 1.00 22.33 H new ATOM 0 HD13 ILE A 62 -4.212 -0.626 -6.766 1.00 22.33 H new ATOM 1021 N ILE A 63 -0.036 -3.813 -8.311 1.00 40.32 N ATOM 1022 CA ILE A 63 1.110 -4.751 -8.299 1.00 44.14 C ATOM 1023 C ILE A 63 1.684 -4.937 -9.715 1.00 11.43 C ATOM 1024 O ILE A 63 2.896 -4.970 -9.874 1.00 20.34 O ATOM 1025 CB ILE A 63 0.735 -6.156 -7.704 1.00 22.41 C ATOM 1026 CG1 ILE A 63 0.148 -6.013 -6.270 1.00 64.01 C ATOM 1027 CG2 ILE A 63 1.965 -7.111 -7.694 1.00 42.44 C ATOM 1028 CD1 ILE A 63 -0.356 -7.314 -5.688 1.00 21.43 C ATOM 0 H ILE A 63 -0.909 -4.226 -7.984 1.00 40.32 H new ATOM 0 HA ILE A 63 1.863 -4.301 -7.652 1.00 44.14 H new ATOM 0 HB ILE A 63 -0.028 -6.593 -8.348 1.00 22.41 H new ATOM 0 HG12 ILE A 63 0.915 -5.604 -5.612 1.00 64.01 H new ATOM 0 HG13 ILE A 63 -0.671 -5.294 -6.292 1.00 64.01 H new ATOM 0 HG21 ILE A 63 1.674 -8.075 -7.277 1.00 42.44 H new ATOM 0 HG22 ILE A 63 2.325 -7.251 -8.713 1.00 42.44 H new ATOM 0 HG23 ILE A 63 2.758 -6.677 -7.085 1.00 42.44 H new ATOM 0 HD11 ILE A 63 -0.750 -7.136 -4.687 1.00 21.43 H new ATOM 0 HD12 ILE A 63 -1.146 -7.715 -6.323 1.00 21.43 H new ATOM 0 HD13 ILE A 63 0.464 -8.030 -5.633 1.00 21.43 H new ATOM 1040 N LYS A 64 0.796 -5.021 -10.729 1.00 5.05 N ATOM 1041 CA LYS A 64 1.197 -5.149 -12.150 1.00 44.33 C ATOM 1042 C LYS A 64 2.033 -3.935 -12.586 1.00 74.45 C ATOM 1043 O LYS A 64 3.024 -4.078 -13.306 1.00 61.24 O ATOM 1044 CB LYS A 64 -0.060 -5.277 -13.053 1.00 55.30 C ATOM 1045 CG LYS A 64 -0.877 -6.575 -12.838 1.00 62.53 C ATOM 1046 CD LYS A 64 -2.321 -6.467 -13.394 1.00 10.34 C ATOM 1047 CE LYS A 64 -2.372 -6.219 -14.910 1.00 54.13 C ATOM 1048 NZ LYS A 64 -3.755 -5.927 -15.377 1.00 63.53 N ATOM 0 H LYS A 64 -0.214 -5.002 -10.589 1.00 5.05 H new ATOM 0 HA LYS A 64 1.804 -6.048 -12.256 1.00 44.33 H new ATOM 0 HB2 LYS A 64 -0.709 -4.420 -12.873 1.00 55.30 H new ATOM 0 HB3 LYS A 64 0.251 -5.228 -14.096 1.00 55.30 H new ATOM 0 HG2 LYS A 64 -0.366 -7.407 -13.323 1.00 62.53 H new ATOM 0 HG3 LYS A 64 -0.917 -6.803 -11.773 1.00 62.53 H new ATOM 0 HD2 LYS A 64 -2.861 -7.386 -13.165 1.00 10.34 H new ATOM 0 HD3 LYS A 64 -2.840 -5.656 -12.883 1.00 10.34 H new ATOM 0 HE2 LYS A 64 -1.719 -5.384 -15.164 1.00 54.13 H new ATOM 0 HE3 LYS A 64 -1.989 -7.094 -15.434 1.00 54.13 H new ATOM 0 HZ1 LYS A 64 -3.718 -5.273 -16.185 1.00 63.53 H new ATOM 0 HZ2 LYS A 64 -4.217 -6.812 -15.669 1.00 63.53 H new ATOM 0 HZ3 LYS A 64 -4.298 -5.492 -14.604 1.00 63.53 H new ATOM 1062 N GLN A 65 1.625 -2.744 -12.115 1.00 14.34 N ATOM 1063 CA GLN A 65 2.317 -1.477 -12.425 1.00 40.44 C ATOM 1064 C GLN A 65 3.560 -1.269 -11.530 1.00 63.41 C ATOM 1065 O GLN A 65 4.414 -0.435 -11.838 1.00 11.11 O ATOM 1066 CB GLN A 65 1.313 -0.295 -12.328 1.00 22.10 C ATOM 1067 CG GLN A 65 0.028 -0.495 -13.169 1.00 73.43 C ATOM 1068 CD GLN A 65 0.287 -0.879 -14.634 1.00 32.42 C ATOM 1069 OE1 GLN A 65 0.389 -2.058 -14.979 1.00 43.32 O ATOM 1070 NE2 GLN A 65 0.362 0.103 -15.505 1.00 54.21 N ATOM 0 H GLN A 65 0.811 -2.631 -11.512 1.00 14.34 H new ATOM 0 HA GLN A 65 2.690 -1.522 -13.448 1.00 40.44 H new ATOM 0 HB2 GLN A 65 1.034 -0.152 -11.284 1.00 22.10 H new ATOM 0 HB3 GLN A 65 1.810 0.619 -12.653 1.00 22.10 H new ATOM 0 HG2 GLN A 65 -0.580 -1.271 -12.704 1.00 73.43 H new ATOM 0 HG3 GLN A 65 -0.556 0.425 -13.144 1.00 73.43 H new ATOM 0 HE21 GLN A 65 0.274 1.070 -15.192 1.00 54.21 H new ATOM 0 HE22 GLN A 65 0.508 -0.102 -16.493 1.00 54.21 H new ATOM 1079 N VAL A 66 3.642 -2.020 -10.412 1.00 30.21 N ATOM 1080 CA VAL A 66 4.852 -2.097 -9.569 1.00 24.41 C ATOM 1081 C VAL A 66 5.838 -3.147 -10.148 1.00 45.21 C ATOM 1082 O VAL A 66 7.051 -3.058 -9.945 1.00 12.14 O ATOM 1083 CB VAL A 66 4.506 -2.407 -8.054 1.00 71.25 C ATOM 1084 CG1 VAL A 66 5.780 -2.564 -7.195 1.00 41.32 C ATOM 1085 CG2 VAL A 66 3.594 -1.307 -7.455 1.00 62.33 C ATOM 0 H VAL A 66 2.870 -2.591 -10.068 1.00 30.21 H new ATOM 0 HA VAL A 66 5.332 -1.119 -9.584 1.00 24.41 H new ATOM 0 HB VAL A 66 3.970 -3.356 -8.038 1.00 71.25 H new ATOM 0 HG11 VAL A 66 5.499 -2.776 -6.163 1.00 41.32 H new ATOM 0 HG12 VAL A 66 6.382 -3.386 -7.583 1.00 41.32 H new ATOM 0 HG13 VAL A 66 6.359 -1.641 -7.231 1.00 41.32 H new ATOM 0 HG21 VAL A 66 3.372 -1.545 -6.415 1.00 62.33 H new ATOM 0 HG22 VAL A 66 4.103 -0.344 -7.507 1.00 62.33 H new ATOM 0 HG23 VAL A 66 2.664 -1.257 -8.022 1.00 62.33 H new ATOM 1095 N LEU A 67 5.306 -4.134 -10.897 1.00 60.14 N ATOM 1096 CA LEU A 67 6.133 -5.087 -11.668 1.00 22.23 C ATOM 1097 C LEU A 67 6.689 -4.366 -12.910 1.00 5.44 C ATOM 1098 O LEU A 67 7.771 -4.688 -13.406 1.00 44.53 O ATOM 1099 CB LEU A 67 5.309 -6.339 -12.093 1.00 70.42 C ATOM 1100 CG LEU A 67 4.775 -7.253 -10.940 1.00 34.55 C ATOM 1101 CD1 LEU A 67 3.859 -8.368 -11.494 1.00 75.50 C ATOM 1102 CD2 LEU A 67 5.929 -7.836 -10.085 1.00 61.52 C ATOM 0 H LEU A 67 4.302 -4.293 -10.985 1.00 60.14 H new ATOM 0 HA LEU A 67 6.952 -5.435 -11.039 1.00 22.23 H new ATOM 0 HB2 LEU A 67 4.456 -6.001 -12.682 1.00 70.42 H new ATOM 0 HB3 LEU A 67 5.930 -6.948 -12.750 1.00 70.42 H new ATOM 0 HG LEU A 67 4.175 -6.628 -10.279 1.00 34.55 H new ATOM 0 HD11 LEU A 67 3.502 -8.988 -10.672 1.00 75.50 H new ATOM 0 HD12 LEU A 67 3.008 -7.919 -12.006 1.00 75.50 H new ATOM 0 HD13 LEU A 67 4.420 -8.985 -12.196 1.00 75.50 H new ATOM 0 HD21 LEU A 67 5.516 -8.464 -9.296 1.00 61.52 H new ATOM 0 HD22 LEU A 67 6.585 -8.433 -10.718 1.00 61.52 H new ATOM 0 HD23 LEU A 67 6.499 -7.021 -9.639 1.00 61.52 H new ATOM 1114 N ASP A 68 5.900 -3.404 -13.421 1.00 43.21 N ATOM 1115 CA ASP A 68 6.303 -2.525 -14.526 1.00 23.43 C ATOM 1116 C ASP A 68 7.362 -1.500 -14.073 1.00 74.32 C ATOM 1117 O ASP A 68 8.350 -1.284 -14.772 1.00 20.32 O ATOM 1118 CB ASP A 68 5.048 -1.817 -15.111 1.00 3.03 C ATOM 1119 CG ASP A 68 5.347 -1.011 -16.385 1.00 40.43 C ATOM 1120 OD1 ASP A 68 5.562 -1.640 -17.446 1.00 23.30 O ATOM 1121 OD2 ASP A 68 5.375 0.238 -16.336 1.00 70.04 O ATOM 0 H ASP A 68 4.959 -3.216 -13.074 1.00 43.21 H new ATOM 0 HA ASP A 68 6.762 -3.132 -15.306 1.00 23.43 H new ATOM 0 HB2 ASP A 68 4.287 -2.565 -15.332 1.00 3.03 H new ATOM 0 HB3 ASP A 68 4.630 -1.150 -14.357 1.00 3.03 H new ATOM 1126 N SER A 69 7.170 -0.905 -12.880 1.00 1.10 N ATOM 1127 CA SER A 69 8.076 0.140 -12.355 1.00 33.24 C ATOM 1128 C SER A 69 9.375 -0.460 -11.800 1.00 3.45 C ATOM 1129 O SER A 69 10.485 -0.012 -12.136 1.00 42.21 O ATOM 1130 CB SER A 69 7.371 0.960 -11.252 1.00 1.50 C ATOM 1131 OG SER A 69 6.945 0.147 -10.175 1.00 53.21 O ATOM 0 H SER A 69 6.393 -1.130 -12.258 1.00 1.10 H new ATOM 0 HA SER A 69 8.333 0.795 -13.188 1.00 33.24 H new ATOM 0 HB2 SER A 69 8.051 1.727 -10.880 1.00 1.50 H new ATOM 0 HB3 SER A 69 6.511 1.476 -11.678 1.00 1.50 H new ATOM 0 HG SER A 69 6.370 0.670 -9.578 1.00 53.21 H new ATOM 1137 N GLY A 70 9.205 -1.481 -10.950 1.00 51.21 N ATOM 1138 CA GLY A 70 10.293 -2.045 -10.155 1.00 32.51 C ATOM 1139 C GLY A 70 10.398 -1.367 -8.791 1.00 44.41 C ATOM 1140 O GLY A 70 11.492 -1.273 -8.223 1.00 21.00 O ATOM 0 H GLY A 70 8.306 -1.937 -10.797 1.00 51.21 H new ATOM 0 HA2 GLY A 70 10.130 -3.114 -10.020 1.00 32.51 H new ATOM 0 HA3 GLY A 70 11.235 -1.932 -10.692 1.00 32.51 H new ATOM 1144 N ALA A 71 9.251 -0.875 -8.276 1.00 1.30 N ATOM 1145 CA ALA A 71 9.168 -0.222 -6.950 1.00 4.24 C ATOM 1146 C ALA A 71 9.044 -1.270 -5.817 1.00 72.34 C ATOM 1147 O ALA A 71 8.859 -2.461 -6.082 1.00 14.41 O ATOM 1148 CB ALA A 71 7.970 0.754 -6.922 1.00 41.11 C ATOM 0 H ALA A 71 8.357 -0.919 -8.766 1.00 1.30 H new ATOM 0 HA ALA A 71 10.088 0.338 -6.782 1.00 4.24 H new ATOM 0 HB1 ALA A 71 7.913 1.232 -5.944 1.00 41.11 H new ATOM 0 HB2 ALA A 71 8.103 1.515 -7.691 1.00 41.11 H new ATOM 0 HB3 ALA A 71 7.048 0.204 -7.111 1.00 41.11 H new ATOM 1154 N LYS A 72 9.176 -0.816 -4.557 1.00 74.40 N ATOM 1155 CA LYS A 72 8.809 -1.603 -3.357 1.00 21.51 C ATOM 1156 C LYS A 72 7.303 -1.417 -3.102 1.00 75.32 C ATOM 1157 O LYS A 72 6.774 -0.331 -3.341 1.00 41.22 O ATOM 1158 CB LYS A 72 9.649 -1.157 -2.109 1.00 63.53 C ATOM 1159 CG LYS A 72 11.052 -1.810 -1.996 1.00 25.33 C ATOM 1160 CD LYS A 72 12.063 -1.434 -3.121 1.00 61.44 C ATOM 1161 CE LYS A 72 12.807 -0.099 -2.880 1.00 33.52 C ATOM 1162 NZ LYS A 72 11.918 1.089 -2.888 1.00 52.23 N ATOM 0 H LYS A 72 9.542 0.111 -4.338 1.00 74.40 H new ATOM 0 HA LYS A 72 9.029 -2.657 -3.527 1.00 21.51 H new ATOM 0 HB2 LYS A 72 9.770 -0.074 -2.139 1.00 63.53 H new ATOM 0 HB3 LYS A 72 9.083 -1.389 -1.207 1.00 63.53 H new ATOM 0 HG2 LYS A 72 11.486 -1.533 -1.035 1.00 25.33 H new ATOM 0 HG3 LYS A 72 10.929 -2.893 -1.990 1.00 25.33 H new ATOM 0 HD2 LYS A 72 12.797 -2.234 -3.218 1.00 61.44 H new ATOM 0 HD3 LYS A 72 11.529 -1.374 -4.070 1.00 61.44 H new ATOM 0 HE2 LYS A 72 13.323 -0.149 -1.921 1.00 33.52 H new ATOM 0 HE3 LYS A 72 13.571 0.025 -3.648 1.00 33.52 H new ATOM 0 HZ1 LYS A 72 12.457 1.924 -3.194 1.00 52.23 H new ATOM 0 HZ2 LYS A 72 11.128 0.927 -3.545 1.00 52.23 H new ATOM 0 HZ3 LYS A 72 11.545 1.250 -1.931 1.00 52.23 H new ATOM 1176 N VAL A 73 6.609 -2.478 -2.652 1.00 33.13 N ATOM 1177 CA VAL A 73 5.149 -2.442 -2.419 1.00 52.21 C ATOM 1178 C VAL A 73 4.747 -3.290 -1.196 1.00 25.44 C ATOM 1179 O VAL A 73 5.310 -4.368 -0.955 1.00 51.04 O ATOM 1180 CB VAL A 73 4.356 -2.905 -3.704 1.00 74.13 C ATOM 1181 CG1 VAL A 73 4.778 -4.322 -4.163 1.00 20.35 C ATOM 1182 CG2 VAL A 73 2.816 -2.788 -3.518 1.00 24.23 C ATOM 0 H VAL A 73 7.038 -3.379 -2.440 1.00 33.13 H new ATOM 0 HA VAL A 73 4.881 -1.407 -2.207 1.00 52.21 H new ATOM 0 HB VAL A 73 4.627 -2.217 -4.505 1.00 74.13 H new ATOM 0 HG11 VAL A 73 4.209 -4.602 -5.049 1.00 20.35 H new ATOM 0 HG12 VAL A 73 5.842 -4.326 -4.399 1.00 20.35 H new ATOM 0 HG13 VAL A 73 4.581 -5.037 -3.364 1.00 20.35 H new ATOM 0 HG21 VAL A 73 2.314 -3.117 -4.427 1.00 24.23 H new ATOM 0 HG22 VAL A 73 2.502 -3.414 -2.683 1.00 24.23 H new ATOM 0 HG23 VAL A 73 2.552 -1.750 -3.313 1.00 24.23 H new ATOM 1192 N LEU A 74 3.787 -2.765 -0.414 1.00 22.31 N ATOM 1193 CA LEU A 74 3.134 -3.479 0.686 1.00 45.23 C ATOM 1194 C LEU A 74 1.623 -3.479 0.438 1.00 54.31 C ATOM 1195 O LEU A 74 1.005 -2.415 0.359 1.00 31.41 O ATOM 1196 CB LEU A 74 3.454 -2.815 2.051 1.00 2.45 C ATOM 1197 CG LEU A 74 2.751 -3.442 3.302 1.00 71.13 C ATOM 1198 CD1 LEU A 74 3.022 -4.955 3.413 1.00 33.55 C ATOM 1199 CD2 LEU A 74 3.145 -2.699 4.601 1.00 32.04 C ATOM 0 H LEU A 74 3.440 -1.814 -0.535 1.00 22.31 H new ATOM 0 HA LEU A 74 3.508 -4.502 0.723 1.00 45.23 H new ATOM 0 HB2 LEU A 74 4.532 -2.854 2.207 1.00 2.45 H new ATOM 0 HB3 LEU A 74 3.178 -1.762 1.994 1.00 2.45 H new ATOM 0 HG LEU A 74 1.677 -3.318 3.164 1.00 71.13 H new ATOM 0 HD11 LEU A 74 2.517 -5.351 4.294 1.00 33.55 H new ATOM 0 HD12 LEU A 74 2.647 -5.458 2.522 1.00 33.55 H new ATOM 0 HD13 LEU A 74 4.095 -5.127 3.502 1.00 33.55 H new ATOM 0 HD21 LEU A 74 2.640 -3.159 5.451 1.00 32.04 H new ATOM 0 HD22 LEU A 74 4.224 -2.761 4.743 1.00 32.04 H new ATOM 0 HD23 LEU A 74 2.849 -1.653 4.526 1.00 32.04 H new ATOM 1211 N ILE A 75 1.054 -4.677 0.273 1.00 30.32 N ATOM 1212 CA ILE A 75 -0.393 -4.872 0.129 1.00 74.30 C ATOM 1213 C ILE A 75 -1.017 -5.183 1.492 1.00 1.24 C ATOM 1214 O ILE A 75 -0.602 -6.122 2.190 1.00 52.50 O ATOM 1215 CB ILE A 75 -0.721 -6.012 -0.907 1.00 12.41 C ATOM 1216 CG1 ILE A 75 -0.260 -5.588 -2.343 1.00 42.14 C ATOM 1217 CG2 ILE A 75 -2.220 -6.423 -0.887 1.00 3.44 C ATOM 1218 CD1 ILE A 75 -0.775 -4.240 -2.849 1.00 71.14 C ATOM 0 H ILE A 75 1.588 -5.545 0.235 1.00 30.32 H new ATOM 0 HA ILE A 75 -0.824 -3.948 -0.256 1.00 74.30 H new ATOM 0 HB ILE A 75 -0.161 -6.898 -0.609 1.00 12.41 H new ATOM 0 HG12 ILE A 75 0.830 -5.566 -2.360 1.00 42.14 H new ATOM 0 HG13 ILE A 75 -0.575 -6.360 -3.045 1.00 42.14 H new ATOM 0 HG21 ILE A 75 -2.391 -7.212 -1.620 1.00 3.44 H new ATOM 0 HG22 ILE A 75 -2.484 -6.787 0.106 1.00 3.44 H new ATOM 0 HG23 ILE A 75 -2.837 -5.559 -1.133 1.00 3.44 H new ATOM 0 HD11 ILE A 75 -0.389 -4.056 -3.852 1.00 71.14 H new ATOM 0 HD12 ILE A 75 -1.865 -4.254 -2.876 1.00 71.14 H new ATOM 0 HD13 ILE A 75 -0.439 -3.448 -2.180 1.00 71.14 H new ATOM 1230 N LEU A 76 -2.007 -4.361 1.847 1.00 3.02 N ATOM 1231 CA LEU A 76 -2.800 -4.477 3.067 1.00 73.31 C ATOM 1232 C LEU A 76 -4.272 -4.590 2.651 1.00 24.11 C ATOM 1233 O LEU A 76 -4.779 -3.733 1.915 1.00 45.30 O ATOM 1234 CB LEU A 76 -2.559 -3.235 3.980 1.00 21.10 C ATOM 1235 CG LEU A 76 -1.081 -3.006 4.438 1.00 32.23 C ATOM 1236 CD1 LEU A 76 -0.919 -1.693 5.231 1.00 12.35 C ATOM 1237 CD2 LEU A 76 -0.564 -4.211 5.250 1.00 14.22 C ATOM 0 H LEU A 76 -2.287 -3.568 1.270 1.00 3.02 H new ATOM 0 HA LEU A 76 -2.512 -5.358 3.640 1.00 73.31 H new ATOM 0 HB2 LEU A 76 -2.897 -2.345 3.449 1.00 21.10 H new ATOM 0 HB3 LEU A 76 -3.184 -3.333 4.868 1.00 21.10 H new ATOM 0 HG LEU A 76 -0.473 -2.914 3.538 1.00 32.23 H new ATOM 0 HD11 LEU A 76 0.123 -1.574 5.529 1.00 12.35 H new ATOM 0 HD12 LEU A 76 -1.216 -0.851 4.605 1.00 12.35 H new ATOM 0 HD13 LEU A 76 -1.549 -1.724 6.120 1.00 12.35 H new ATOM 0 HD21 LEU A 76 0.466 -4.028 5.557 1.00 14.22 H new ATOM 0 HD22 LEU A 76 -1.187 -4.349 6.134 1.00 14.22 H new ATOM 0 HD23 LEU A 76 -0.605 -5.109 4.634 1.00 14.22 H new ATOM 1249 N SER A 77 -4.944 -5.663 3.080 1.00 33.14 N ATOM 1250 CA SER A 77 -6.368 -5.892 2.781 1.00 21.10 C ATOM 1251 C SER A 77 -7.057 -6.431 4.032 1.00 4.04 C ATOM 1252 O SER A 77 -6.437 -7.142 4.829 1.00 32.43 O ATOM 1253 CB SER A 77 -6.535 -6.882 1.602 1.00 31.34 C ATOM 1254 OG SER A 77 -7.899 -7.065 1.258 1.00 24.22 O ATOM 0 H SER A 77 -4.520 -6.399 3.644 1.00 33.14 H new ATOM 0 HA SER A 77 -6.827 -4.948 2.487 1.00 21.10 H new ATOM 0 HB2 SER A 77 -5.988 -6.511 0.735 1.00 31.34 H new ATOM 0 HB3 SER A 77 -6.095 -7.843 1.869 1.00 31.34 H new ATOM 0 HG SER A 77 -8.097 -8.023 1.205 1.00 24.22 H new ATOM 1260 N SER A 78 -8.352 -6.127 4.170 1.00 12.41 N ATOM 1261 CA SER A 78 -9.144 -6.477 5.362 1.00 11.24 C ATOM 1262 C SER A 78 -9.681 -7.932 5.302 1.00 42.41 C ATOM 1263 O SER A 78 -10.491 -8.328 6.143 1.00 73.42 O ATOM 1264 CB SER A 78 -10.302 -5.464 5.509 1.00 30.01 C ATOM 1265 OG SER A 78 -9.821 -4.134 5.646 1.00 3.41 O ATOM 0 H SER A 78 -8.886 -5.629 3.457 1.00 12.41 H new ATOM 0 HA SER A 78 -8.496 -6.425 6.237 1.00 11.24 H new ATOM 0 HB2 SER A 78 -10.954 -5.527 4.638 1.00 30.01 H new ATOM 0 HB3 SER A 78 -10.905 -5.724 6.379 1.00 30.01 H new ATOM 0 HG SER A 78 -10.567 -3.537 5.862 1.00 3.41 H new ATOM 1271 N ASP A 79 -9.186 -8.731 4.335 1.00 13.32 N ATOM 1272 CA ASP A 79 -9.637 -10.111 4.105 1.00 21.42 C ATOM 1273 C ASP A 79 -8.415 -11.001 3.774 1.00 55.30 C ATOM 1274 O ASP A 79 -7.633 -10.681 2.866 1.00 30.42 O ATOM 1275 CB ASP A 79 -10.677 -10.120 2.952 1.00 62.12 C ATOM 1276 CG ASP A 79 -11.375 -11.476 2.745 1.00 14.22 C ATOM 1277 OD1 ASP A 79 -12.536 -11.641 3.182 1.00 62.33 O ATOM 1278 OD2 ASP A 79 -10.764 -12.383 2.153 1.00 41.01 O ATOM 0 H ASP A 79 -8.456 -8.430 3.689 1.00 13.32 H new ATOM 0 HA ASP A 79 -10.114 -10.511 5.000 1.00 21.42 H new ATOM 0 HB2 ASP A 79 -11.433 -9.361 3.154 1.00 62.12 H new ATOM 0 HB3 ASP A 79 -10.179 -9.835 2.025 1.00 62.12 H new ATOM 1283 N GLU A 80 -8.268 -12.110 4.522 1.00 33.23 N ATOM 1284 CA GLU A 80 -7.116 -13.037 4.412 1.00 32.35 C ATOM 1285 C GLU A 80 -7.174 -13.927 3.161 1.00 4.04 C ATOM 1286 O GLU A 80 -6.136 -14.413 2.713 1.00 22.43 O ATOM 1287 CB GLU A 80 -7.032 -13.920 5.678 1.00 45.44 C ATOM 1288 CG GLU A 80 -8.237 -14.860 5.897 1.00 44.54 C ATOM 1289 CD GLU A 80 -8.191 -15.594 7.240 1.00 43.53 C ATOM 1290 OE1 GLU A 80 -8.276 -14.917 8.285 1.00 2.41 O ATOM 1291 OE2 GLU A 80 -8.081 -16.839 7.268 1.00 32.15 O ATOM 0 H GLU A 80 -8.948 -12.394 5.227 1.00 33.23 H new ATOM 0 HA GLU A 80 -6.222 -12.420 4.319 1.00 32.35 H new ATOM 0 HB2 GLU A 80 -6.125 -14.522 5.623 1.00 45.44 H new ATOM 0 HB3 GLU A 80 -6.932 -13.272 6.549 1.00 45.44 H new ATOM 0 HG2 GLU A 80 -9.158 -14.280 5.838 1.00 44.54 H new ATOM 0 HG3 GLU A 80 -8.270 -15.593 5.090 1.00 44.54 H new ATOM 1298 N ASN A 81 -8.385 -14.152 2.619 1.00 33.45 N ATOM 1299 CA ASN A 81 -8.588 -15.003 1.418 1.00 21.11 C ATOM 1300 C ASN A 81 -8.202 -14.206 0.164 1.00 54.23 C ATOM 1301 O ASN A 81 -7.751 -14.770 -0.842 1.00 41.40 O ATOM 1302 CB ASN A 81 -10.061 -15.479 1.316 1.00 34.42 C ATOM 1303 CG ASN A 81 -10.574 -16.121 2.605 1.00 24.53 C ATOM 1304 OD1 ASN A 81 -10.476 -17.335 2.800 1.00 42.13 O ATOM 1305 ND2 ASN A 81 -11.120 -15.309 3.495 1.00 22.24 N ATOM 0 H ASN A 81 -9.247 -13.756 2.993 1.00 33.45 H new ATOM 0 HA ASN A 81 -7.956 -15.887 1.502 1.00 21.11 H new ATOM 0 HB2 ASN A 81 -10.695 -14.629 1.063 1.00 34.42 H new ATOM 0 HB3 ASN A 81 -10.149 -16.196 0.500 1.00 34.42 H new ATOM 0 HD21 ASN A 81 -11.476 -15.682 4.375 1.00 22.24 H new ATOM 0 HD22 ASN A 81 -11.185 -14.310 3.301 1.00 22.24 H new ATOM 1312 N ILE A 82 -8.403 -12.879 0.254 1.00 60.22 N ATOM 1313 CA ILE A 82 -7.945 -11.914 -0.748 1.00 2.20 C ATOM 1314 C ILE A 82 -6.413 -11.845 -0.726 1.00 22.41 C ATOM 1315 O ILE A 82 -5.792 -11.984 -1.771 1.00 12.24 O ATOM 1316 CB ILE A 82 -8.612 -10.500 -0.510 1.00 11.13 C ATOM 1317 CG1 ILE A 82 -10.127 -10.575 -0.903 1.00 55.01 C ATOM 1318 CG2 ILE A 82 -7.872 -9.353 -1.252 1.00 71.13 C ATOM 1319 CD1 ILE A 82 -10.921 -9.314 -0.666 1.00 13.45 C ATOM 0 H ILE A 82 -8.895 -12.447 1.036 1.00 60.22 H new ATOM 0 HA ILE A 82 -8.254 -12.242 -1.741 1.00 2.20 H new ATOM 0 HB ILE A 82 -8.529 -10.255 0.549 1.00 11.13 H new ATOM 0 HG12 ILE A 82 -10.198 -10.836 -1.959 1.00 55.01 H new ATOM 0 HG13 ILE A 82 -10.590 -11.387 -0.342 1.00 55.01 H new ATOM 0 HG21 ILE A 82 -8.374 -8.407 -1.052 1.00 71.13 H new ATOM 0 HG22 ILE A 82 -6.841 -9.298 -0.901 1.00 71.13 H new ATOM 0 HG23 ILE A 82 -7.880 -9.549 -2.324 1.00 71.13 H new ATOM 0 HD11 ILE A 82 -11.955 -9.473 -0.971 1.00 13.45 H new ATOM 0 HD12 ILE A 82 -10.890 -9.058 0.393 1.00 13.45 H new ATOM 0 HD13 ILE A 82 -10.492 -8.499 -1.249 1.00 13.45 H new ATOM 1331 N ILE A 83 -5.818 -11.696 0.484 1.00 33.42 N ATOM 1332 CA ILE A 83 -4.346 -11.722 0.665 1.00 52.45 C ATOM 1333 C ILE A 83 -3.755 -13.041 0.105 1.00 52.45 C ATOM 1334 O ILE A 83 -2.756 -13.018 -0.613 1.00 51.32 O ATOM 1335 CB ILE A 83 -3.941 -11.530 2.184 1.00 24.13 C ATOM 1336 CG1 ILE A 83 -4.292 -10.087 2.686 1.00 40.12 C ATOM 1337 CG2 ILE A 83 -2.444 -11.843 2.430 1.00 12.54 C ATOM 1338 CD1 ILE A 83 -3.479 -8.956 2.049 1.00 1.54 C ATOM 0 H ILE A 83 -6.338 -11.556 1.351 1.00 33.42 H new ATOM 0 HA ILE A 83 -3.928 -10.885 0.106 1.00 52.45 H new ATOM 0 HB ILE A 83 -4.525 -12.247 2.760 1.00 24.13 H new ATOM 0 HG12 ILE A 83 -5.350 -9.902 2.498 1.00 40.12 H new ATOM 0 HG13 ILE A 83 -4.149 -10.051 3.766 1.00 40.12 H new ATOM 0 HG21 ILE A 83 -2.211 -11.698 3.485 1.00 12.54 H new ATOM 0 HG22 ILE A 83 -2.238 -12.876 2.151 1.00 12.54 H new ATOM 0 HG23 ILE A 83 -1.829 -11.175 1.827 1.00 12.54 H new ATOM 0 HD11 ILE A 83 -3.798 -8.000 2.464 1.00 1.54 H new ATOM 0 HD12 ILE A 83 -2.420 -9.107 2.258 1.00 1.54 H new ATOM 0 HD13 ILE A 83 -3.639 -8.955 0.971 1.00 1.54 H new ATOM 1350 N GLU A 84 -4.438 -14.163 0.395 1.00 73.00 N ATOM 1351 CA GLU A 84 -4.053 -15.509 -0.075 1.00 24.32 C ATOM 1352 C GLU A 84 -3.998 -15.563 -1.616 1.00 31.25 C ATOM 1353 O GLU A 84 -3.045 -16.108 -2.207 1.00 54.41 O ATOM 1354 CB GLU A 84 -5.082 -16.540 0.452 1.00 35.12 C ATOM 1355 CG GLU A 84 -4.788 -18.016 0.117 1.00 1.21 C ATOM 1356 CD GLU A 84 -3.579 -18.575 0.876 1.00 43.44 C ATOM 1357 OE1 GLU A 84 -2.448 -18.551 0.338 1.00 21.44 O ATOM 1358 OE2 GLU A 84 -3.750 -19.024 2.033 1.00 15.12 O ATOM 0 H GLU A 84 -5.282 -14.162 0.968 1.00 73.00 H new ATOM 0 HA GLU A 84 -3.059 -15.745 0.305 1.00 24.32 H new ATOM 0 HB2 GLU A 84 -5.146 -16.439 1.535 1.00 35.12 H new ATOM 0 HB3 GLU A 84 -6.062 -16.284 0.050 1.00 35.12 H new ATOM 0 HG2 GLU A 84 -5.666 -18.618 0.351 1.00 1.21 H new ATOM 0 HG3 GLU A 84 -4.613 -18.111 -0.955 1.00 1.21 H new ATOM 1365 N SER A 85 -5.039 -14.977 -2.243 1.00 1.32 N ATOM 1366 CA SER A 85 -5.157 -14.868 -3.701 1.00 31.45 C ATOM 1367 C SER A 85 -4.019 -14.016 -4.290 1.00 42.22 C ATOM 1368 O SER A 85 -3.419 -14.370 -5.309 1.00 72.15 O ATOM 1369 CB SER A 85 -6.528 -14.258 -4.064 1.00 43.45 C ATOM 1370 OG SER A 85 -6.708 -14.171 -5.468 1.00 32.31 O ATOM 0 H SER A 85 -5.825 -14.564 -1.741 1.00 1.32 H new ATOM 0 HA SER A 85 -5.079 -15.867 -4.131 1.00 31.45 H new ATOM 0 HB2 SER A 85 -7.323 -14.866 -3.632 1.00 43.45 H new ATOM 0 HB3 SER A 85 -6.612 -13.264 -3.624 1.00 43.45 H new ATOM 0 HG SER A 85 -7.586 -13.782 -5.662 1.00 32.31 H new ATOM 1376 N ILE A 86 -3.726 -12.901 -3.615 1.00 52.43 N ATOM 1377 CA ILE A 86 -2.691 -11.945 -4.030 1.00 21.00 C ATOM 1378 C ILE A 86 -1.289 -12.589 -3.956 1.00 71.00 C ATOM 1379 O ILE A 86 -0.421 -12.280 -4.770 1.00 12.35 O ATOM 1380 CB ILE A 86 -2.787 -10.629 -3.153 1.00 41.23 C ATOM 1381 CG1 ILE A 86 -4.161 -9.902 -3.392 1.00 22.53 C ATOM 1382 CG2 ILE A 86 -1.604 -9.666 -3.390 1.00 52.23 C ATOM 1383 CD1 ILE A 86 -4.502 -9.586 -4.848 1.00 14.12 C ATOM 0 H ILE A 86 -4.205 -12.632 -2.755 1.00 52.43 H new ATOM 0 HA ILE A 86 -2.859 -11.666 -5.070 1.00 21.00 H new ATOM 0 HB ILE A 86 -2.730 -10.939 -2.110 1.00 41.23 H new ATOM 0 HG12 ILE A 86 -4.956 -10.523 -2.979 1.00 22.53 H new ATOM 0 HG13 ILE A 86 -4.160 -8.969 -2.828 1.00 22.53 H new ATOM 0 HG21 ILE A 86 -1.723 -8.782 -2.763 1.00 52.23 H new ATOM 0 HG22 ILE A 86 -0.670 -10.168 -3.137 1.00 52.23 H new ATOM 0 HG23 ILE A 86 -1.583 -9.367 -4.438 1.00 52.23 H new ATOM 0 HD11 ILE A 86 -5.469 -9.086 -4.895 1.00 14.12 H new ATOM 0 HD12 ILE A 86 -3.736 -8.934 -5.268 1.00 14.12 H new ATOM 0 HD13 ILE A 86 -4.544 -10.512 -5.421 1.00 14.12 H new ATOM 1395 N ARG A 87 -1.104 -13.525 -3.004 1.00 42.33 N ATOM 1396 CA ARG A 87 0.162 -14.263 -2.835 1.00 52.23 C ATOM 1397 C ARG A 87 0.362 -15.318 -3.934 1.00 41.34 C ATOM 1398 O ARG A 87 1.465 -15.441 -4.476 1.00 5.22 O ATOM 1399 CB ARG A 87 0.227 -14.938 -1.440 1.00 50.02 C ATOM 1400 CG ARG A 87 0.232 -13.941 -0.269 1.00 21.51 C ATOM 1401 CD ARG A 87 0.491 -14.603 1.086 1.00 71.34 C ATOM 1402 NE ARG A 87 -0.557 -15.558 1.501 1.00 12.24 N ATOM 1403 CZ ARG A 87 -0.421 -16.447 2.505 1.00 43.34 C ATOM 1404 NH1 ARG A 87 0.717 -16.538 3.199 1.00 11.45 N ATOM 1405 NH2 ARG A 87 -1.432 -17.242 2.820 1.00 14.22 N ATOM 0 H ARG A 87 -1.826 -13.789 -2.333 1.00 42.33 H new ATOM 0 HA ARG A 87 0.968 -13.533 -2.917 1.00 52.23 H new ATOM 0 HB2 ARG A 87 -0.625 -15.608 -1.331 1.00 50.02 H new ATOM 0 HB3 ARG A 87 1.125 -15.553 -1.386 1.00 50.02 H new ATOM 0 HG2 ARG A 87 0.996 -13.184 -0.448 1.00 21.51 H new ATOM 0 HG3 ARG A 87 -0.727 -13.424 -0.236 1.00 21.51 H new ATOM 0 HD2 ARG A 87 1.447 -15.124 1.047 1.00 71.34 H new ATOM 0 HD3 ARG A 87 0.582 -13.827 1.846 1.00 71.34 H new ATOM 0 HE ARG A 87 -1.442 -15.544 0.994 1.00 12.24 H new ATOM 0 HH11 ARG A 87 1.503 -15.928 2.973 1.00 11.45 H new ATOM 0 HH12 ARG A 87 0.800 -17.217 3.955 1.00 11.45 H new ATOM 0 HH21 ARG A 87 -2.309 -17.180 2.304 1.00 14.22 H new ATOM 0 HH22 ARG A 87 -1.333 -17.916 3.579 1.00 14.22 H new ATOM 1419 N LYS A 88 -0.705 -16.086 -4.257 1.00 73.45 N ATOM 1420 CA LYS A 88 -0.601 -17.186 -5.244 1.00 74.11 C ATOM 1421 C LYS A 88 -0.362 -16.637 -6.661 1.00 4.12 C ATOM 1422 O LYS A 88 0.386 -17.234 -7.441 1.00 70.23 O ATOM 1423 CB LYS A 88 -1.840 -18.129 -5.207 1.00 0.21 C ATOM 1424 CG LYS A 88 -3.178 -17.483 -5.615 1.00 0.23 C ATOM 1425 CD LYS A 88 -4.369 -18.466 -5.570 1.00 71.32 C ATOM 1426 CE LYS A 88 -5.701 -17.803 -5.962 1.00 24.32 C ATOM 1427 NZ LYS A 88 -6.833 -18.764 -5.884 1.00 42.00 N ATOM 0 H LYS A 88 -1.635 -15.967 -3.855 1.00 73.45 H new ATOM 0 HA LYS A 88 0.264 -17.787 -4.963 1.00 74.11 H new ATOM 0 HB2 LYS A 88 -1.650 -18.976 -5.866 1.00 0.21 H new ATOM 0 HB3 LYS A 88 -1.942 -18.527 -4.197 1.00 0.21 H new ATOM 0 HG2 LYS A 88 -3.385 -16.642 -4.953 1.00 0.23 H new ATOM 0 HG3 LYS A 88 -3.086 -17.080 -6.623 1.00 0.23 H new ATOM 0 HD2 LYS A 88 -4.172 -19.301 -6.243 1.00 71.32 H new ATOM 0 HD3 LYS A 88 -4.456 -18.880 -4.565 1.00 71.32 H new ATOM 0 HE2 LYS A 88 -5.895 -16.957 -5.303 1.00 24.32 H new ATOM 0 HE3 LYS A 88 -5.627 -17.408 -6.975 1.00 24.32 H new ATOM 0 HZ1 LYS A 88 -7.715 -18.284 -6.155 1.00 42.00 H new ATOM 0 HZ2 LYS A 88 -6.659 -19.559 -6.531 1.00 42.00 H new ATOM 0 HZ3 LYS A 88 -6.918 -19.122 -4.911 1.00 42.00 H new ATOM 1441 N GLN A 89 -1.001 -15.490 -6.971 1.00 74.40 N ATOM 1442 CA GLN A 89 -0.825 -14.783 -8.249 1.00 34.43 C ATOM 1443 C GLN A 89 0.538 -14.057 -8.286 1.00 52.42 C ATOM 1444 O GLN A 89 1.278 -14.150 -9.274 1.00 32.44 O ATOM 1445 CB GLN A 89 -1.987 -13.771 -8.455 1.00 40.23 C ATOM 1446 CG GLN A 89 -3.396 -14.400 -8.518 1.00 14.41 C ATOM 1447 CD GLN A 89 -4.520 -13.351 -8.596 1.00 21.24 C ATOM 1448 OE1 GLN A 89 -4.927 -12.924 -9.677 1.00 23.14 O ATOM 1449 NE2 GLN A 89 -5.024 -12.924 -7.453 1.00 41.33 N ATOM 0 H GLN A 89 -1.655 -15.030 -6.338 1.00 74.40 H new ATOM 0 HA GLN A 89 -0.842 -15.512 -9.059 1.00 34.43 H new ATOM 0 HB2 GLN A 89 -1.965 -13.045 -7.642 1.00 40.23 H new ATOM 0 HB3 GLN A 89 -1.810 -13.220 -9.379 1.00 40.23 H new ATOM 0 HG2 GLN A 89 -3.457 -15.055 -9.387 1.00 14.41 H new ATOM 0 HG3 GLN A 89 -3.549 -15.024 -7.637 1.00 14.41 H new ATOM 0 HE21 GLN A 89 -4.670 -13.293 -6.570 1.00 41.33 H new ATOM 0 HE22 GLN A 89 -5.767 -12.225 -7.453 1.00 41.33 H new ATOM 1458 N TYR A 90 0.860 -13.347 -7.186 1.00 61.13 N ATOM 1459 CA TYR A 90 2.076 -12.513 -7.066 1.00 14.14 C ATOM 1460 C TYR A 90 2.827 -12.888 -5.761 1.00 62.41 C ATOM 1461 O TYR A 90 2.480 -12.394 -4.684 1.00 53.11 O ATOM 1462 CB TYR A 90 1.696 -10.999 -7.053 1.00 41.42 C ATOM 1463 CG TYR A 90 0.742 -10.568 -8.176 1.00 14.41 C ATOM 1464 CD1 TYR A 90 1.213 -10.326 -9.468 1.00 13.12 C ATOM 1465 CD2 TYR A 90 -0.629 -10.394 -7.943 1.00 3.23 C ATOM 1466 CE1 TYR A 90 0.359 -9.938 -10.480 1.00 25.04 C ATOM 1467 CE2 TYR A 90 -1.484 -10.008 -8.957 1.00 14.23 C ATOM 1468 CZ TYR A 90 -0.984 -9.780 -10.220 1.00 65.13 C ATOM 1469 OH TYR A 90 -1.831 -9.393 -11.232 1.00 33.23 O ATOM 0 H TYR A 90 0.279 -13.335 -6.348 1.00 61.13 H new ATOM 0 HA TYR A 90 2.724 -12.696 -7.923 1.00 14.14 H new ATOM 0 HB2 TYR A 90 1.237 -10.762 -6.093 1.00 41.42 H new ATOM 0 HB3 TYR A 90 2.609 -10.408 -7.124 1.00 41.42 H new ATOM 0 HD1 TYR A 90 2.265 -10.445 -9.679 1.00 13.12 H new ATOM 0 HD2 TYR A 90 -1.024 -10.565 -6.953 1.00 3.23 H new ATOM 0 HE1 TYR A 90 0.743 -9.759 -11.473 1.00 25.04 H new ATOM 0 HE2 TYR A 90 -2.539 -9.886 -8.760 1.00 14.23 H new ATOM 0 HH TYR A 90 -2.644 -9.004 -10.847 1.00 33.23 H new ATOM 1479 N PRO A 91 3.825 -13.822 -5.817 1.00 33.54 N ATOM 1480 CA PRO A 91 4.615 -14.216 -4.620 1.00 62.44 C ATOM 1481 C PRO A 91 5.686 -13.170 -4.224 1.00 11.13 C ATOM 1482 O PRO A 91 6.165 -13.170 -3.083 1.00 3.33 O ATOM 1483 CB PRO A 91 5.250 -15.556 -5.061 1.00 34.55 C ATOM 1484 CG PRO A 91 5.397 -15.440 -6.551 1.00 74.20 C ATOM 1485 CD PRO A 91 4.230 -14.596 -7.025 1.00 71.52 C ATOM 0 HA PRO A 91 4.001 -14.296 -3.723 1.00 62.44 H new ATOM 0 HB2 PRO A 91 6.215 -15.714 -4.580 1.00 34.55 H new ATOM 0 HB3 PRO A 91 4.617 -16.401 -4.791 1.00 34.55 H new ATOM 0 HG2 PRO A 91 6.347 -14.974 -6.814 1.00 74.20 H new ATOM 0 HG3 PRO A 91 5.383 -16.423 -7.022 1.00 74.20 H new ATOM 0 HD2 PRO A 91 4.522 -13.936 -7.842 1.00 71.52 H new ATOM 0 HD3 PRO A 91 3.413 -15.217 -7.393 1.00 71.52 H new ATOM 1493 N LYS A 92 6.048 -12.289 -5.177 1.00 14.43 N ATOM 1494 CA LYS A 92 7.109 -11.273 -5.000 1.00 54.35 C ATOM 1495 C LYS A 92 6.705 -10.118 -4.057 1.00 3.31 C ATOM 1496 O LYS A 92 7.579 -9.445 -3.498 1.00 2.23 O ATOM 1497 CB LYS A 92 7.505 -10.679 -6.379 1.00 71.41 C ATOM 1498 CG LYS A 92 8.091 -11.692 -7.387 1.00 12.10 C ATOM 1499 CD LYS A 92 8.546 -11.010 -8.697 1.00 22.44 C ATOM 1500 CE LYS A 92 9.173 -11.988 -9.699 1.00 73.22 C ATOM 1501 NZ LYS A 92 9.611 -11.290 -10.936 1.00 3.43 N ATOM 0 H LYS A 92 5.611 -12.261 -6.098 1.00 14.43 H new ATOM 0 HA LYS A 92 7.951 -11.789 -4.538 1.00 54.35 H new ATOM 0 HB2 LYS A 92 6.624 -10.216 -6.824 1.00 71.41 H new ATOM 0 HB3 LYS A 92 8.235 -9.886 -6.219 1.00 71.41 H new ATOM 0 HG2 LYS A 92 8.938 -12.206 -6.933 1.00 12.10 H new ATOM 0 HG3 LYS A 92 7.342 -12.451 -7.615 1.00 12.10 H new ATOM 0 HD2 LYS A 92 7.689 -10.522 -9.162 1.00 22.44 H new ATOM 0 HD3 LYS A 92 9.268 -10.229 -8.461 1.00 22.44 H new ATOM 0 HE2 LYS A 92 10.026 -12.486 -9.239 1.00 73.22 H new ATOM 0 HE3 LYS A 92 8.451 -12.764 -9.953 1.00 73.22 H new ATOM 0 HZ1 LYS A 92 10.030 -11.978 -11.593 1.00 3.43 H new ATOM 0 HZ2 LYS A 92 8.791 -10.836 -11.387 1.00 3.43 H new ATOM 0 HZ3 LYS A 92 10.318 -10.567 -10.695 1.00 3.43 H new ATOM 1515 N VAL A 93 5.400 -9.872 -3.908 1.00 62.43 N ATOM 1516 CA VAL A 93 4.891 -8.716 -3.138 1.00 61.41 C ATOM 1517 C VAL A 93 4.841 -9.013 -1.619 1.00 43.34 C ATOM 1518 O VAL A 93 4.451 -10.118 -1.203 1.00 43.32 O ATOM 1519 CB VAL A 93 3.475 -8.253 -3.671 1.00 71.50 C ATOM 1520 CG1 VAL A 93 2.452 -9.405 -3.718 1.00 72.43 C ATOM 1521 CG2 VAL A 93 2.916 -7.066 -2.859 1.00 12.03 C ATOM 0 H VAL A 93 4.668 -10.457 -4.310 1.00 62.43 H new ATOM 0 HA VAL A 93 5.594 -7.896 -3.287 1.00 61.41 H new ATOM 0 HB VAL A 93 3.636 -7.920 -4.696 1.00 71.50 H new ATOM 0 HG11 VAL A 93 1.499 -9.030 -4.091 1.00 72.43 H new ATOM 0 HG12 VAL A 93 2.818 -10.190 -4.380 1.00 72.43 H new ATOM 0 HG13 VAL A 93 2.315 -9.811 -2.716 1.00 72.43 H new ATOM 0 HG21 VAL A 93 1.943 -6.779 -3.257 1.00 12.03 H new ATOM 0 HG22 VAL A 93 2.809 -7.358 -1.814 1.00 12.03 H new ATOM 0 HG23 VAL A 93 3.601 -6.221 -2.931 1.00 12.03 H new ATOM 1531 N GLU A 94 5.273 -8.022 -0.798 1.00 61.53 N ATOM 1532 CA GLU A 94 5.059 -8.045 0.659 1.00 74.32 C ATOM 1533 C GLU A 94 3.554 -7.915 0.933 1.00 64.23 C ATOM 1534 O GLU A 94 2.955 -6.884 0.627 1.00 32.04 O ATOM 1535 CB GLU A 94 5.833 -6.890 1.363 1.00 51.32 C ATOM 1536 CG GLU A 94 7.368 -7.003 1.316 1.00 74.11 C ATOM 1537 CD GLU A 94 7.904 -8.269 2.007 1.00 70.24 C ATOM 1538 OE1 GLU A 94 8.222 -9.255 1.311 1.00 5.24 O ATOM 1539 OE2 GLU A 94 7.992 -8.295 3.253 1.00 14.04 O ATOM 0 H GLU A 94 5.773 -7.197 -1.129 1.00 61.53 H new ATOM 0 HA GLU A 94 5.437 -8.985 1.060 1.00 74.32 H new ATOM 0 HB2 GLU A 94 5.540 -5.946 0.904 1.00 51.32 H new ATOM 0 HB3 GLU A 94 5.520 -6.848 2.406 1.00 51.32 H new ATOM 0 HG2 GLU A 94 7.694 -6.999 0.276 1.00 74.11 H new ATOM 0 HG3 GLU A 94 7.805 -6.125 1.791 1.00 74.11 H new ATOM 1546 N THR A 95 2.951 -8.974 1.471 1.00 70.21 N ATOM 1547 CA THR A 95 1.515 -9.017 1.779 1.00 3.20 C ATOM 1548 C THR A 95 1.315 -9.169 3.288 1.00 4.22 C ATOM 1549 O THR A 95 2.094 -9.853 3.960 1.00 73.14 O ATOM 1550 CB THR A 95 0.821 -10.196 1.022 1.00 13.20 C ATOM 1551 OG1 THR A 95 1.562 -11.412 1.243 1.00 44.51 O ATOM 1552 CG2 THR A 95 0.709 -9.931 -0.491 1.00 32.03 C ATOM 0 H THR A 95 3.445 -9.834 1.709 1.00 70.21 H new ATOM 0 HA THR A 95 1.059 -8.084 1.448 1.00 3.20 H new ATOM 0 HB THR A 95 -0.191 -10.290 1.416 1.00 13.20 H new ATOM 0 HG1 THR A 95 2.130 -11.595 0.466 1.00 44.51 H new ATOM 0 HG21 THR A 95 0.220 -10.778 -0.973 1.00 32.03 H new ATOM 0 HG22 THR A 95 0.122 -9.029 -0.660 1.00 32.03 H new ATOM 0 HG23 THR A 95 1.706 -9.799 -0.912 1.00 32.03 H new ATOM 1560 N ARG A 96 0.266 -8.530 3.807 1.00 4.11 N ATOM 1561 CA ARG A 96 -0.097 -8.576 5.223 1.00 21.04 C ATOM 1562 C ARG A 96 -1.575 -8.213 5.342 1.00 50.12 C ATOM 1563 O ARG A 96 -2.015 -7.228 4.740 1.00 15.41 O ATOM 1564 CB ARG A 96 0.779 -7.582 6.038 1.00 11.21 C ATOM 1565 CG ARG A 96 0.556 -7.599 7.575 1.00 14.43 C ATOM 1566 CD ARG A 96 1.159 -6.357 8.258 1.00 20.22 C ATOM 1567 NE ARG A 96 1.089 -6.376 9.727 1.00 73.45 N ATOM 1568 CZ ARG A 96 -0.008 -6.210 10.483 1.00 73.44 C ATOM 1569 NH1 ARG A 96 -1.214 -6.022 9.953 1.00 22.52 N ATOM 1570 NH2 ARG A 96 0.126 -6.208 11.798 1.00 1.52 N ATOM 0 H ARG A 96 -0.365 -7.957 3.246 1.00 4.11 H new ATOM 0 HA ARG A 96 0.075 -9.574 5.626 1.00 21.04 H new ATOM 0 HB2 ARG A 96 1.828 -7.801 5.838 1.00 11.21 H new ATOM 0 HB3 ARG A 96 0.589 -6.573 5.672 1.00 11.21 H new ATOM 0 HG2 ARG A 96 -0.512 -7.646 7.786 1.00 14.43 H new ATOM 0 HG3 ARG A 96 1.004 -8.499 7.997 1.00 14.43 H new ATOM 0 HD2 ARG A 96 2.203 -6.263 7.958 1.00 20.22 H new ATOM 0 HD3 ARG A 96 0.641 -5.470 7.893 1.00 20.22 H new ATOM 0 HE ARG A 96 1.966 -6.532 10.224 1.00 73.45 H new ATOM 0 HH11 ARG A 96 -1.328 -6.000 8.940 1.00 22.52 H new ATOM 0 HH12 ARG A 96 -2.024 -5.900 10.560 1.00 22.52 H new ATOM 0 HH21 ARG A 96 1.048 -6.331 12.217 1.00 1.52 H new ATOM 0 HH22 ARG A 96 -0.692 -6.084 12.394 1.00 1.52 H new ATOM 1584 N ARG A 97 -2.353 -9.019 6.081 1.00 40.42 N ATOM 1585 CA ARG A 97 -3.747 -8.681 6.377 1.00 51.52 C ATOM 1586 C ARG A 97 -3.766 -7.537 7.403 1.00 75.14 C ATOM 1587 O ARG A 97 -3.042 -7.579 8.408 1.00 11.25 O ATOM 1588 CB ARG A 97 -4.538 -9.898 6.917 1.00 11.14 C ATOM 1589 CG ARG A 97 -6.038 -9.607 7.177 1.00 52.44 C ATOM 1590 CD ARG A 97 -6.735 -10.751 7.919 1.00 1.55 C ATOM 1591 NE ARG A 97 -6.102 -11.021 9.223 1.00 23.41 N ATOM 1592 CZ ARG A 97 -5.757 -12.232 9.690 1.00 35.32 C ATOM 1593 NH1 ARG A 97 -5.983 -13.327 8.979 1.00 25.44 N ATOM 1594 NH2 ARG A 97 -5.175 -12.325 10.876 1.00 53.23 N ATOM 0 H ARG A 97 -2.040 -9.903 6.481 1.00 40.42 H new ATOM 0 HA ARG A 97 -4.234 -8.372 5.452 1.00 51.52 H new ATOM 0 HB2 ARG A 97 -4.455 -10.718 6.204 1.00 11.14 H new ATOM 0 HB3 ARG A 97 -4.077 -10.235 7.845 1.00 11.14 H new ATOM 0 HG2 ARG A 97 -6.132 -8.690 7.759 1.00 52.44 H new ATOM 0 HG3 ARG A 97 -6.542 -9.434 6.226 1.00 52.44 H new ATOM 0 HD2 ARG A 97 -7.785 -10.501 8.069 1.00 1.55 H new ATOM 0 HD3 ARG A 97 -6.706 -11.653 7.307 1.00 1.55 H new ATOM 0 HE ARG A 97 -5.909 -10.218 9.822 1.00 23.41 H new ATOM 0 HH11 ARG A 97 -6.425 -13.258 8.062 1.00 25.44 H new ATOM 0 HH12 ARG A 97 -5.715 -14.239 9.348 1.00 25.44 H new ATOM 0 HH21 ARG A 97 -4.994 -11.483 11.423 1.00 53.23 H new ATOM 0 HH22 ARG A 97 -4.908 -13.239 11.243 1.00 53.23 H new ATOM 1608 N ALA A 98 -4.585 -6.525 7.133 1.00 30.10 N ATOM 1609 CA ALA A 98 -4.746 -5.359 7.990 1.00 31.33 C ATOM 1610 C ALA A 98 -6.213 -4.935 7.918 1.00 2.51 C ATOM 1611 O ALA A 98 -6.669 -4.442 6.894 1.00 23.43 O ATOM 1612 CB ALA A 98 -3.795 -4.234 7.549 1.00 73.44 C ATOM 0 H ALA A 98 -5.166 -6.494 6.295 1.00 30.10 H new ATOM 0 HA ALA A 98 -4.488 -5.592 9.023 1.00 31.33 H new ATOM 0 HB1 ALA A 98 -3.928 -3.370 8.200 1.00 73.44 H new ATOM 0 HB2 ALA A 98 -2.764 -4.582 7.614 1.00 73.44 H new ATOM 0 HB3 ALA A 98 -4.018 -3.951 6.520 1.00 73.44 H new ATOM 1618 N GLN A 99 -6.947 -5.215 8.991 1.00 52.53 N ATOM 1619 CA GLN A 99 -8.375 -4.877 9.129 1.00 23.14 C ATOM 1620 C GLN A 99 -8.489 -3.611 9.961 1.00 42.21 C ATOM 1621 O GLN A 99 -9.187 -2.665 9.598 1.00 13.10 O ATOM 1622 CB GLN A 99 -9.140 -6.041 9.813 1.00 13.12 C ATOM 1623 CG GLN A 99 -9.011 -7.387 9.085 1.00 33.23 C ATOM 1624 CD GLN A 99 -9.754 -8.517 9.788 1.00 43.40 C ATOM 1625 OE1 GLN A 99 -10.933 -8.757 9.526 1.00 54.42 O ATOM 1626 NE2 GLN A 99 -9.075 -9.208 10.690 1.00 25.13 N ATOM 0 H GLN A 99 -6.566 -5.692 9.808 1.00 52.53 H new ATOM 0 HA GLN A 99 -8.816 -4.716 8.145 1.00 23.14 H new ATOM 0 HB2 GLN A 99 -8.772 -6.154 10.833 1.00 13.12 H new ATOM 0 HB3 GLN A 99 -10.195 -5.777 9.883 1.00 13.12 H new ATOM 0 HG2 GLN A 99 -9.395 -7.283 8.070 1.00 33.23 H new ATOM 0 HG3 GLN A 99 -7.956 -7.649 9.002 1.00 33.23 H new ATOM 0 HE21 GLN A 99 -8.099 -8.979 10.879 1.00 25.13 H new ATOM 0 HE22 GLN A 99 -9.528 -9.969 11.196 1.00 25.13 H new ATOM 1635 N ASP A 100 -7.764 -3.624 11.082 1.00 53.34 N ATOM 1636 CA ASP A 100 -7.696 -2.515 12.029 1.00 44.21 C ATOM 1637 C ASP A 100 -6.821 -1.393 11.443 1.00 55.10 C ATOM 1638 O ASP A 100 -5.816 -1.669 10.779 1.00 34.00 O ATOM 1639 CB ASP A 100 -7.086 -3.007 13.370 1.00 22.13 C ATOM 1640 CG ASP A 100 -7.757 -4.272 13.927 1.00 32.45 C ATOM 1641 OD1 ASP A 100 -7.459 -5.379 13.412 1.00 44.33 O ATOM 1642 OD2 ASP A 100 -8.575 -4.174 14.873 1.00 13.11 O ATOM 0 H ASP A 100 -7.196 -4.425 11.360 1.00 53.34 H new ATOM 0 HA ASP A 100 -8.701 -2.134 12.211 1.00 44.21 H new ATOM 0 HB2 ASP A 100 -6.024 -3.204 13.225 1.00 22.13 H new ATOM 0 HB3 ASP A 100 -7.165 -2.209 14.109 1.00 22.13 H new ATOM 1647 N LYS A 101 -7.200 -0.142 11.714 1.00 2.53 N ATOM 1648 CA LYS A 101 -6.445 1.054 11.288 1.00 71.20 C ATOM 1649 C LYS A 101 -5.088 1.150 12.024 1.00 61.21 C ATOM 1650 O LYS A 101 -4.114 1.712 11.493 1.00 22.33 O ATOM 1651 CB LYS A 101 -7.337 2.311 11.497 1.00 45.53 C ATOM 1652 CG LYS A 101 -7.841 2.516 12.947 1.00 4.23 C ATOM 1653 CD LYS A 101 -8.972 3.565 13.063 1.00 75.24 C ATOM 1654 CE LYS A 101 -9.548 3.651 14.487 1.00 64.31 C ATOM 1655 NZ LYS A 101 -10.720 4.575 14.553 1.00 44.34 N ATOM 0 H LYS A 101 -8.046 0.079 12.239 1.00 2.53 H new ATOM 0 HA LYS A 101 -6.201 0.983 10.228 1.00 71.20 H new ATOM 0 HB2 LYS A 101 -6.773 3.194 11.195 1.00 45.53 H new ATOM 0 HB3 LYS A 101 -8.199 2.242 10.834 1.00 45.53 H new ATOM 0 HG2 LYS A 101 -8.198 1.563 13.337 1.00 4.23 H new ATOM 0 HG3 LYS A 101 -7.004 2.824 13.574 1.00 4.23 H new ATOM 0 HD2 LYS A 101 -8.589 4.542 12.769 1.00 75.24 H new ATOM 0 HD3 LYS A 101 -9.771 3.313 12.365 1.00 75.24 H new ATOM 0 HE2 LYS A 101 -9.849 2.657 14.819 1.00 64.31 H new ATOM 0 HE3 LYS A 101 -8.774 3.995 15.173 1.00 64.31 H new ATOM 0 HZ1 LYS A 101 -11.244 4.409 15.436 1.00 44.34 H new ATOM 0 HZ2 LYS A 101 -10.387 5.560 14.528 1.00 44.34 H new ATOM 0 HZ3 LYS A 101 -11.346 4.401 13.741 1.00 44.34 H new ATOM 1669 N GLU A 102 -5.036 0.551 13.229 1.00 33.13 N ATOM 1670 CA GLU A 102 -3.794 0.384 14.004 1.00 2.02 C ATOM 1671 C GLU A 102 -2.859 -0.653 13.336 1.00 40.33 C ATOM 1672 O GLU A 102 -1.654 -0.440 13.285 1.00 70.44 O ATOM 1673 CB GLU A 102 -4.106 0.002 15.475 1.00 2.12 C ATOM 1674 CG GLU A 102 -5.047 -1.201 15.640 1.00 1.31 C ATOM 1675 CD GLU A 102 -5.280 -1.595 17.103 1.00 55.20 C ATOM 1676 OE1 GLU A 102 -4.415 -2.285 17.678 1.00 64.22 O ATOM 1677 OE2 GLU A 102 -6.323 -1.213 17.682 1.00 42.20 O ATOM 0 H GLU A 102 -5.859 0.168 13.694 1.00 33.13 H new ATOM 0 HA GLU A 102 -3.270 1.340 14.015 1.00 2.02 H new ATOM 0 HB2 GLU A 102 -3.168 -0.215 15.987 1.00 2.12 H new ATOM 0 HB3 GLU A 102 -4.549 0.864 15.974 1.00 2.12 H new ATOM 0 HG2 GLU A 102 -6.006 -0.969 15.177 1.00 1.31 H new ATOM 0 HG3 GLU A 102 -4.632 -2.054 15.103 1.00 1.31 H new ATOM 1684 N GLU A 103 -3.441 -1.758 12.816 1.00 63.32 N ATOM 1685 CA GLU A 103 -2.706 -2.790 12.047 1.00 3.21 C ATOM 1686 C GLU A 103 -2.065 -2.205 10.776 1.00 13.34 C ATOM 1687 O GLU A 103 -0.975 -2.630 10.382 1.00 12.31 O ATOM 1688 CB GLU A 103 -3.668 -3.953 11.669 1.00 64.01 C ATOM 1689 CG GLU A 103 -4.022 -4.915 12.826 1.00 72.54 C ATOM 1690 CD GLU A 103 -2.982 -6.026 13.040 1.00 54.05 C ATOM 1691 OE1 GLU A 103 -2.972 -6.998 12.242 1.00 21.33 O ATOM 1692 OE2 GLU A 103 -2.166 -5.934 13.975 1.00 73.41 O ATOM 0 H GLU A 103 -4.436 -1.960 12.918 1.00 63.32 H new ATOM 0 HA GLU A 103 -1.903 -3.169 12.680 1.00 3.21 H new ATOM 0 HB2 GLU A 103 -4.591 -3.527 11.276 1.00 64.01 H new ATOM 0 HB3 GLU A 103 -3.215 -4.530 10.863 1.00 64.01 H new ATOM 0 HG2 GLU A 103 -4.123 -4.341 13.747 1.00 72.54 H new ATOM 0 HG3 GLU A 103 -4.992 -5.370 12.626 1.00 72.54 H new ATOM 1699 N VAL A 104 -2.760 -1.241 10.141 1.00 15.14 N ATOM 1700 CA VAL A 104 -2.277 -0.596 8.916 1.00 15.01 C ATOM 1701 C VAL A 104 -1.080 0.323 9.222 1.00 42.15 C ATOM 1702 O VAL A 104 -0.023 0.164 8.612 1.00 63.35 O ATOM 1703 CB VAL A 104 -3.408 0.217 8.186 1.00 22.52 C ATOM 1704 CG1 VAL A 104 -2.874 0.892 6.901 1.00 22.21 C ATOM 1705 CG2 VAL A 104 -4.619 -0.686 7.871 1.00 4.33 C ATOM 0 H VAL A 104 -3.663 -0.894 10.463 1.00 15.14 H new ATOM 0 HA VAL A 104 -1.957 -1.392 8.243 1.00 15.01 H new ATOM 0 HB VAL A 104 -3.739 1.005 8.862 1.00 22.52 H new ATOM 0 HG11 VAL A 104 -3.680 1.446 6.419 1.00 22.21 H new ATOM 0 HG12 VAL A 104 -2.066 1.577 7.159 1.00 22.21 H new ATOM 0 HG13 VAL A 104 -2.499 0.129 6.218 1.00 22.21 H new ATOM 0 HG21 VAL A 104 -5.388 -0.101 7.366 1.00 4.33 H new ATOM 0 HG22 VAL A 104 -4.304 -1.505 7.225 1.00 4.33 H new ATOM 0 HG23 VAL A 104 -5.022 -1.091 8.799 1.00 4.33 H new ATOM 1715 N LYS A 105 -1.243 1.260 10.189 1.00 2.23 N ATOM 1716 CA LYS A 105 -0.190 2.259 10.503 1.00 64.21 C ATOM 1717 C LYS A 105 1.082 1.594 11.086 1.00 62.52 C ATOM 1718 O LYS A 105 2.196 2.062 10.838 1.00 62.01 O ATOM 1719 CB LYS A 105 -0.715 3.372 11.452 1.00 11.50 C ATOM 1720 CG LYS A 105 -1.140 2.899 12.857 1.00 5.20 C ATOM 1721 CD LYS A 105 -1.630 4.061 13.755 1.00 1.43 C ATOM 1722 CE LYS A 105 -2.085 3.584 15.145 1.00 20.11 C ATOM 1723 NZ LYS A 105 -2.558 4.708 15.995 1.00 3.31 N ATOM 0 H LYS A 105 -2.084 1.345 10.760 1.00 2.23 H new ATOM 0 HA LYS A 105 0.085 2.729 9.559 1.00 64.21 H new ATOM 0 HB2 LYS A 105 0.062 4.128 11.562 1.00 11.50 H new ATOM 0 HB3 LYS A 105 -1.568 3.858 10.978 1.00 11.50 H new ATOM 0 HG2 LYS A 105 -1.934 2.159 12.762 1.00 5.20 H new ATOM 0 HG3 LYS A 105 -0.298 2.403 13.339 1.00 5.20 H new ATOM 0 HD2 LYS A 105 -0.827 4.790 13.870 1.00 1.43 H new ATOM 0 HD3 LYS A 105 -2.457 4.572 13.262 1.00 1.43 H new ATOM 0 HE2 LYS A 105 -2.886 2.853 15.033 1.00 20.11 H new ATOM 0 HE3 LYS A 105 -1.258 3.077 15.642 1.00 20.11 H new ATOM 0 HZ1 LYS A 105 -2.742 4.361 16.958 1.00 3.31 H new ATOM 0 HZ2 LYS A 105 -1.829 5.449 16.027 1.00 3.31 H new ATOM 0 HZ3 LYS A 105 -3.434 5.101 15.595 1.00 3.31 H new ATOM 1737 N ASP A 106 0.887 0.526 11.889 1.00 30.21 N ATOM 1738 CA ASP A 106 1.968 -0.362 12.376 1.00 15.00 C ATOM 1739 C ASP A 106 2.735 -1.018 11.207 1.00 24.12 C ATOM 1740 O ASP A 106 3.970 -1.030 11.193 1.00 72.30 O ATOM 1741 CB ASP A 106 1.348 -1.443 13.302 1.00 52.13 C ATOM 1742 CG ASP A 106 2.325 -2.554 13.742 1.00 45.42 C ATOM 1743 OD1 ASP A 106 3.079 -2.350 14.720 1.00 31.32 O ATOM 1744 OD2 ASP A 106 2.327 -3.649 13.122 1.00 0.20 O ATOM 0 H ASP A 106 -0.037 0.252 12.222 1.00 30.21 H new ATOM 0 HA ASP A 106 2.690 0.233 12.935 1.00 15.00 H new ATOM 0 HB2 ASP A 106 0.950 -0.955 14.192 1.00 52.13 H new ATOM 0 HB3 ASP A 106 0.505 -1.903 12.787 1.00 52.13 H new ATOM 1749 N ALA A 107 1.974 -1.551 10.229 1.00 21.23 N ATOM 1750 CA ALA A 107 2.531 -2.209 9.027 1.00 34.24 C ATOM 1751 C ALA A 107 3.354 -1.231 8.176 1.00 74.25 C ATOM 1752 O ALA A 107 4.390 -1.602 7.614 1.00 43.40 O ATOM 1753 CB ALA A 107 1.396 -2.807 8.190 1.00 61.25 C ATOM 0 H ALA A 107 0.954 -1.538 10.250 1.00 21.23 H new ATOM 0 HA ALA A 107 3.200 -3.004 9.358 1.00 34.24 H new ATOM 0 HB1 ALA A 107 1.812 -3.290 7.306 1.00 61.25 H new ATOM 0 HB2 ALA A 107 0.854 -3.542 8.785 1.00 61.25 H new ATOM 0 HB3 ALA A 107 0.714 -2.014 7.883 1.00 61.25 H new ATOM 1759 N VAL A 108 2.858 0.018 8.095 1.00 32.22 N ATOM 1760 CA VAL A 108 3.518 1.116 7.372 1.00 12.25 C ATOM 1761 C VAL A 108 4.858 1.461 8.044 1.00 23.22 C ATOM 1762 O VAL A 108 5.908 1.372 7.405 1.00 1.53 O ATOM 1763 CB VAL A 108 2.585 2.390 7.293 1.00 73.13 C ATOM 1764 CG1 VAL A 108 3.330 3.626 6.734 1.00 63.43 C ATOM 1765 CG2 VAL A 108 1.327 2.088 6.446 1.00 31.13 C ATOM 0 H VAL A 108 1.980 0.293 8.534 1.00 32.22 H new ATOM 0 HA VAL A 108 3.713 0.786 6.351 1.00 12.25 H new ATOM 0 HB VAL A 108 2.279 2.630 8.311 1.00 73.13 H new ATOM 0 HG11 VAL A 108 2.649 4.476 6.698 1.00 63.43 H new ATOM 0 HG12 VAL A 108 4.175 3.865 7.380 1.00 63.43 H new ATOM 0 HG13 VAL A 108 3.692 3.409 5.729 1.00 63.43 H new ATOM 0 HG21 VAL A 108 0.696 2.976 6.402 1.00 31.13 H new ATOM 0 HG22 VAL A 108 1.627 1.806 5.437 1.00 31.13 H new ATOM 0 HG23 VAL A 108 0.770 1.269 6.901 1.00 31.13 H new ATOM 1775 N GLU A 109 4.792 1.797 9.353 1.00 12.23 N ATOM 1776 CA GLU A 109 5.964 2.181 10.171 1.00 45.24 C ATOM 1777 C GLU A 109 7.087 1.131 10.085 1.00 11.13 C ATOM 1778 O GLU A 109 8.266 1.477 9.924 1.00 52.10 O ATOM 1779 CB GLU A 109 5.538 2.380 11.655 1.00 35.13 C ATOM 1780 CG GLU A 109 6.705 2.616 12.639 1.00 22.12 C ATOM 1781 CD GLU A 109 6.271 2.866 14.095 1.00 10.12 C ATOM 1782 OE1 GLU A 109 5.413 2.125 14.612 1.00 54.10 O ATOM 1783 OE2 GLU A 109 6.810 3.785 14.744 1.00 61.43 O ATOM 0 H GLU A 109 3.916 1.809 9.875 1.00 12.23 H new ATOM 0 HA GLU A 109 6.352 3.119 9.774 1.00 45.24 H new ATOM 0 HB2 GLU A 109 4.856 3.229 11.712 1.00 35.13 H new ATOM 0 HB3 GLU A 109 4.980 1.501 11.979 1.00 35.13 H new ATOM 0 HG2 GLU A 109 7.366 1.750 12.614 1.00 22.12 H new ATOM 0 HG3 GLU A 109 7.287 3.471 12.295 1.00 22.12 H new ATOM 1790 N GLU A 110 6.686 -0.146 10.173 1.00 62.50 N ATOM 1791 CA GLU A 110 7.606 -1.288 10.152 1.00 61.54 C ATOM 1792 C GLU A 110 8.274 -1.435 8.767 1.00 72.21 C ATOM 1793 O GLU A 110 9.487 -1.636 8.678 1.00 45.03 O ATOM 1794 CB GLU A 110 6.843 -2.580 10.548 1.00 24.42 C ATOM 1795 CG GLU A 110 7.765 -3.787 10.759 1.00 31.42 C ATOM 1796 CD GLU A 110 7.035 -5.041 11.246 1.00 60.12 C ATOM 1797 OE1 GLU A 110 6.748 -5.938 10.428 1.00 25.05 O ATOM 1798 OE2 GLU A 110 6.738 -5.129 12.458 1.00 51.31 O ATOM 0 H GLU A 110 5.706 -0.415 10.261 1.00 62.50 H new ATOM 0 HA GLU A 110 8.401 -1.115 10.878 1.00 61.54 H new ATOM 0 HB2 GLU A 110 6.281 -2.396 11.464 1.00 24.42 H new ATOM 0 HB3 GLU A 110 6.117 -2.818 9.771 1.00 24.42 H new ATOM 0 HG2 GLU A 110 8.272 -4.014 9.821 1.00 31.42 H new ATOM 0 HG3 GLU A 110 8.536 -3.522 11.483 1.00 31.42 H new ATOM 1805 N PHE A 111 7.464 -1.271 7.698 1.00 61.25 N ATOM 1806 CA PHE A 111 7.917 -1.382 6.282 1.00 50.31 C ATOM 1807 C PHE A 111 8.961 -0.293 5.948 1.00 12.44 C ATOM 1808 O PHE A 111 9.878 -0.509 5.143 1.00 41.32 O ATOM 1809 CB PHE A 111 6.678 -1.281 5.337 1.00 34.31 C ATOM 1810 CG PHE A 111 6.915 -1.627 3.858 1.00 55.14 C ATOM 1811 CD1 PHE A 111 6.980 -2.956 3.432 1.00 32.23 C ATOM 1812 CD2 PHE A 111 7.048 -0.630 2.887 1.00 51.30 C ATOM 1813 CE1 PHE A 111 7.161 -3.267 2.094 1.00 14.50 C ATOM 1814 CE2 PHE A 111 7.233 -0.947 1.551 1.00 14.52 C ATOM 1815 CZ PHE A 111 7.294 -2.263 1.159 1.00 32.14 C ATOM 0 H PHE A 111 6.471 -1.057 7.787 1.00 61.25 H new ATOM 0 HA PHE A 111 8.400 -2.348 6.135 1.00 50.31 H new ATOM 0 HB2 PHE A 111 5.901 -1.941 5.722 1.00 34.31 H new ATOM 0 HB3 PHE A 111 6.289 -0.264 5.392 1.00 34.31 H new ATOM 0 HD1 PHE A 111 6.888 -3.752 4.156 1.00 32.23 H new ATOM 0 HD2 PHE A 111 7.006 0.407 3.184 1.00 51.30 H new ATOM 0 HE1 PHE A 111 7.198 -4.300 1.782 1.00 14.50 H new ATOM 0 HE2 PHE A 111 7.329 -0.160 0.818 1.00 14.52 H new ATOM 0 HZ PHE A 111 7.446 -2.510 0.119 1.00 32.14 H new ATOM 1825 N LEU A 112 8.796 0.872 6.600 1.00 62.31 N ATOM 1826 CA LEU A 112 9.672 2.047 6.445 1.00 74.23 C ATOM 1827 C LEU A 112 11.002 1.856 7.192 1.00 13.32 C ATOM 1828 O LEU A 112 12.077 2.126 6.638 1.00 22.22 O ATOM 1829 CB LEU A 112 8.928 3.304 6.968 1.00 41.42 C ATOM 1830 CG LEU A 112 7.617 3.662 6.206 1.00 54.35 C ATOM 1831 CD1 LEU A 112 6.820 4.770 6.913 1.00 13.15 C ATOM 1832 CD2 LEU A 112 7.916 4.030 4.750 1.00 1.13 C ATOM 0 H LEU A 112 8.035 1.026 7.262 1.00 62.31 H new ATOM 0 HA LEU A 112 9.910 2.174 5.389 1.00 74.23 H new ATOM 0 HB2 LEU A 112 8.688 3.153 8.021 1.00 41.42 H new ATOM 0 HB3 LEU A 112 9.605 4.156 6.914 1.00 41.42 H new ATOM 0 HG LEU A 112 6.987 2.773 6.208 1.00 54.35 H new ATOM 0 HD11 LEU A 112 5.915 4.986 6.345 1.00 13.15 H new ATOM 0 HD12 LEU A 112 6.549 4.440 7.916 1.00 13.15 H new ATOM 0 HD13 LEU A 112 7.430 5.671 6.980 1.00 13.15 H new ATOM 0 HD21 LEU A 112 6.985 4.276 4.238 1.00 1.13 H new ATOM 0 HD22 LEU A 112 8.584 4.891 4.722 1.00 1.13 H new ATOM 0 HD23 LEU A 112 8.392 3.185 4.252 1.00 1.13 H new ATOM 1844 N LYS A 113 10.921 1.388 8.456 1.00 13.31 N ATOM 1845 CA LYS A 113 12.109 1.172 9.320 1.00 73.31 C ATOM 1846 C LYS A 113 12.964 -0.010 8.839 1.00 65.23 C ATOM 1847 O LYS A 113 14.175 -0.045 9.083 1.00 3.24 O ATOM 1848 CB LYS A 113 11.676 0.998 10.807 1.00 2.44 C ATOM 1849 CG LYS A 113 11.094 2.295 11.407 1.00 62.52 C ATOM 1850 CD LYS A 113 10.659 2.194 12.888 1.00 72.34 C ATOM 1851 CE LYS A 113 10.211 3.567 13.435 1.00 24.14 C ATOM 1852 NZ LYS A 113 9.691 3.496 14.827 1.00 61.35 N ATOM 0 H LYS A 113 10.038 1.150 8.907 1.00 13.31 H new ATOM 0 HA LYS A 113 12.738 2.059 9.249 1.00 73.31 H new ATOM 0 HB2 LYS A 113 10.932 0.204 10.875 1.00 2.44 H new ATOM 0 HB3 LYS A 113 12.535 0.681 11.398 1.00 2.44 H new ATOM 0 HG2 LYS A 113 11.839 3.085 11.316 1.00 62.52 H new ATOM 0 HG3 LYS A 113 10.233 2.598 10.811 1.00 62.52 H new ATOM 0 HD2 LYS A 113 9.842 1.479 12.981 1.00 72.34 H new ATOM 0 HD3 LYS A 113 11.486 1.813 13.487 1.00 72.34 H new ATOM 0 HE2 LYS A 113 11.054 4.258 13.403 1.00 24.14 H new ATOM 0 HE3 LYS A 113 9.438 3.977 12.785 1.00 24.14 H new ATOM 0 HZ1 LYS A 113 10.106 4.264 15.392 1.00 61.35 H new ATOM 0 HZ2 LYS A 113 8.656 3.595 14.816 1.00 61.35 H new ATOM 0 HZ3 LYS A 113 9.947 2.580 15.247 1.00 61.35 H new ATOM 1866 N GLU A 114 12.330 -0.951 8.131 1.00 40.45 N ATOM 1867 CA GLU A 114 13.027 -2.071 7.468 1.00 65.15 C ATOM 1868 C GLU A 114 13.374 -1.717 6.006 1.00 41.24 C ATOM 1869 O GLU A 114 13.650 -2.611 5.194 1.00 54.11 O ATOM 1870 CB GLU A 114 12.156 -3.346 7.545 1.00 41.33 C ATOM 1871 CG GLU A 114 11.906 -3.862 8.974 1.00 51.13 C ATOM 1872 CD GLU A 114 11.285 -5.260 8.999 1.00 34.14 C ATOM 1873 OE1 GLU A 114 10.080 -5.395 9.264 1.00 61.25 O ATOM 1874 OE2 GLU A 114 12.021 -6.240 8.753 1.00 62.33 O ATOM 0 H GLU A 114 11.319 -0.962 7.998 1.00 40.45 H new ATOM 0 HA GLU A 114 13.966 -2.260 7.987 1.00 65.15 H new ATOM 0 HB2 GLU A 114 11.195 -3.144 7.072 1.00 41.33 H new ATOM 0 HB3 GLU A 114 12.637 -4.135 6.966 1.00 41.33 H new ATOM 0 HG2 GLU A 114 12.849 -3.879 9.520 1.00 51.13 H new ATOM 0 HG3 GLU A 114 11.248 -3.168 9.496 1.00 51.13 H new