USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 67 GLN : amide:sc= -0.422 X(o=0.19,f=-0.12) USER MOD Set 1.2: A 70 SER OG : rot 169:sc= 0.611 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 169:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.98 X(o=-2,f=-2.2!) USER MOD Set 3.1: A 58 SER OG : rot -32:sc= 0.372 USER MOD Set 3.2: A 61 MET CE :methyl -150:sc= -0.2 (180deg=-1.68) USER MOD Set 4.1: A 12 THR OG1 : rot -157:sc= 1.01 USER MOD Set 4.2: A 14 THR OG1 : rot -38:sc= 1.19 USER MOD Set 5.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 73 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 6 MET CE :methyl -128:sc= -0.854 (180deg=-5.7!) USER MOD Single : A 7 GLN : amide:sc= -0.947 K(o=-0.95,f=-5.3!) USER MOD Single : A 16 LYS NZ :NH3+ 127:sc= -0.161 (180deg=-1.18) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 19 THR OG1 : rot -101:sc= 1.38 USER MOD Single : A 24 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.078) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= -0.0524 (180deg=-0.225) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -127:sc= 0.372 (180deg=-3.74!) USER MOD Single : A 45 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.6) USER MOD Single : A 46 GLN : amide:sc= -1.28 K(o=-1.3,f=-3) USER MOD Single : A 54 GLN : amide:sc= -0.123 K(o=-0.12,f=-4.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.52) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.196 (180deg=-0.795) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0301 USER MOD ----------------------------------------------------------------- ATOM 59 N MET A 6 -7.231 7.115 -10.796 1.00 73.22 N ATOM 60 CA MET A 6 -8.154 8.226 -10.595 1.00 40.24 C ATOM 61 C MET A 6 -9.479 7.967 -11.305 1.00 14.34 C ATOM 62 O MET A 6 -9.656 6.934 -11.950 1.00 11.51 O ATOM 63 CB MET A 6 -7.535 9.529 -11.105 1.00 53.22 C ATOM 64 CG MET A 6 -7.190 9.500 -12.585 1.00 74.34 C ATOM 65 SD MET A 6 -5.413 9.452 -12.883 1.00 63.45 S ATOM 66 CE MET A 6 -4.889 10.950 -12.053 1.00 35.33 C ATOM 0 HA MET A 6 -8.347 8.317 -9.526 1.00 40.24 H new ATOM 0 HB2 MET A 6 -8.229 10.349 -10.918 1.00 53.22 H new ATOM 0 HB3 MET A 6 -6.631 9.740 -10.534 1.00 53.22 H new ATOM 0 HG2 MET A 6 -7.655 8.629 -13.046 1.00 74.34 H new ATOM 0 HG3 MET A 6 -7.612 10.380 -13.070 1.00 74.34 H new ATOM 0 HE1 MET A 6 -4.287 11.552 -12.734 1.00 35.33 H new ATOM 0 HE2 MET A 6 -5.765 11.520 -11.743 1.00 35.33 H new ATOM 0 HE3 MET A 6 -4.296 10.691 -11.176 1.00 35.33 H new ATOM 76 N GLN A 7 -10.407 8.911 -11.180 1.00 4.43 N ATOM 77 CA GLN A 7 -11.716 8.783 -11.809 1.00 1.45 C ATOM 78 C GLN A 7 -12.157 10.108 -12.422 1.00 10.31 C ATOM 79 O GLN A 7 -11.703 11.176 -12.009 1.00 71.11 O ATOM 80 CB GLN A 7 -12.752 8.311 -10.787 1.00 23.21 C ATOM 81 CG GLN A 7 -12.248 7.201 -9.878 1.00 42.14 C ATOM 82 CD GLN A 7 -11.771 7.718 -8.535 1.00 63.14 C ATOM 83 OE1 GLN A 7 -11.653 8.926 -8.328 1.00 64.04 O ATOM 84 NE2 GLN A 7 -11.493 6.803 -7.613 1.00 54.35 N ATOM 0 H GLN A 7 -10.276 9.772 -10.649 1.00 4.43 H new ATOM 0 HA GLN A 7 -11.638 8.043 -12.605 1.00 1.45 H new ATOM 0 HB2 GLN A 7 -13.059 9.159 -10.175 1.00 23.21 H new ATOM 0 HB3 GLN A 7 -13.639 7.962 -11.316 1.00 23.21 H new ATOM 0 HG2 GLN A 7 -13.046 6.475 -9.721 1.00 42.14 H new ATOM 0 HG3 GLN A 7 -11.431 6.675 -10.372 1.00 42.14 H new ATOM 0 HE21 GLN A 7 -11.605 5.812 -7.828 1.00 54.35 H new ATOM 0 HE22 GLN A 7 -11.167 7.091 -6.690 1.00 54.35 H new ATOM 93 N ILE A 8 -13.043 10.032 -13.409 1.00 33.42 N ATOM 94 CA ILE A 8 -13.546 11.225 -14.078 1.00 63.01 C ATOM 95 C ILE A 8 -15.070 11.233 -14.117 1.00 11.04 C ATOM 96 O ILE A 8 -15.711 10.191 -13.974 1.00 40.44 O ATOM 97 CB ILE A 8 -13.007 11.333 -15.517 1.00 25.23 C ATOM 98 CG1 ILE A 8 -12.090 10.149 -15.831 1.00 60.32 C ATOM 99 CG2 ILE A 8 -12.266 12.648 -15.708 1.00 11.13 C ATOM 100 CD1 ILE A 8 -11.677 10.073 -17.284 1.00 51.45 C ATOM 0 H ILE A 8 -13.428 9.156 -13.763 1.00 33.42 H new ATOM 0 HA ILE A 8 -13.195 12.081 -13.501 1.00 63.01 H new ATOM 0 HB ILE A 8 -13.850 11.310 -16.208 1.00 25.23 H new ATOM 0 HG12 ILE A 8 -11.196 10.218 -15.211 1.00 60.32 H new ATOM 0 HG13 ILE A 8 -12.598 9.224 -15.557 1.00 60.32 H new ATOM 0 HG21 ILE A 8 -11.891 12.709 -16.730 1.00 11.13 H new ATOM 0 HG22 ILE A 8 -12.946 13.479 -15.520 1.00 11.13 H new ATOM 0 HG23 ILE A 8 -11.430 12.699 -15.011 1.00 11.13 H new ATOM 0 HD11 ILE A 8 -11.028 9.210 -17.433 1.00 51.45 H new ATOM 0 HD12 ILE A 8 -12.564 9.973 -17.910 1.00 51.45 H new ATOM 0 HD13 ILE A 8 -11.141 10.982 -17.558 1.00 51.45 H new ATOM 112 N PHE A 9 -15.645 12.415 -14.312 1.00 13.05 N ATOM 113 CA PHE A 9 -17.095 12.559 -14.370 1.00 13.31 C ATOM 114 C PHE A 9 -17.542 13.009 -15.758 1.00 63.52 C ATOM 115 O PHE A 9 -17.065 14.017 -16.280 1.00 71.40 O ATOM 116 CB PHE A 9 -17.572 13.564 -13.319 1.00 21.23 C ATOM 117 CG PHE A 9 -17.571 13.014 -11.921 1.00 13.41 C ATOM 118 CD1 PHE A 9 -16.384 12.864 -11.222 1.00 74.30 C ATOM 119 CD2 PHE A 9 -18.758 12.648 -11.306 1.00 23.01 C ATOM 120 CE1 PHE A 9 -16.380 12.359 -9.935 1.00 74.33 C ATOM 121 CE2 PHE A 9 -18.760 12.143 -10.019 1.00 62.14 C ATOM 122 CZ PHE A 9 -17.570 11.997 -9.334 1.00 23.12 C ATOM 0 H PHE A 9 -15.129 13.287 -14.432 1.00 13.05 H new ATOM 0 HA PHE A 9 -17.540 11.586 -14.161 1.00 13.31 H new ATOM 0 HB2 PHE A 9 -16.933 14.446 -13.355 1.00 21.23 H new ATOM 0 HB3 PHE A 9 -18.581 13.891 -13.572 1.00 21.23 H new ATOM 0 HD1 PHE A 9 -15.451 13.145 -11.688 1.00 74.30 H new ATOM 0 HD2 PHE A 9 -19.691 12.759 -11.838 1.00 23.01 H new ATOM 0 HE1 PHE A 9 -15.448 12.248 -9.400 1.00 74.33 H new ATOM 0 HE2 PHE A 9 -19.692 11.863 -9.550 1.00 62.14 H new ATOM 0 HZ PHE A 9 -17.570 11.600 -8.330 1.00 23.12 H new ATOM 132 N VAL A 10 -18.460 12.252 -16.352 1.00 3.23 N ATOM 133 CA VAL A 10 -18.972 12.572 -17.679 1.00 23.50 C ATOM 134 C VAL A 10 -20.449 12.942 -17.623 1.00 54.34 C ATOM 135 O VAL A 10 -21.254 12.244 -17.006 1.00 63.21 O ATOM 136 CB VAL A 10 -18.786 11.391 -18.651 1.00 50.30 C ATOM 137 CG1 VAL A 10 -18.466 11.896 -20.050 1.00 5.55 C ATOM 138 CG2 VAL A 10 -17.696 10.456 -18.150 1.00 70.34 C ATOM 0 H VAL A 10 -18.864 11.413 -15.935 1.00 3.23 H new ATOM 0 HA VAL A 10 -18.400 13.426 -18.042 1.00 23.50 H new ATOM 0 HB VAL A 10 -19.720 10.831 -18.698 1.00 50.30 H new ATOM 0 HG11 VAL A 10 -18.338 11.048 -20.723 1.00 5.55 H new ATOM 0 HG12 VAL A 10 -19.284 12.522 -20.407 1.00 5.55 H new ATOM 0 HG13 VAL A 10 -17.546 12.481 -20.024 1.00 5.55 H new ATOM 0 HG21 VAL A 10 -17.578 9.628 -18.848 1.00 70.34 H new ATOM 0 HG22 VAL A 10 -16.756 11.002 -18.072 1.00 70.34 H new ATOM 0 HG23 VAL A 10 -17.972 10.068 -17.170 1.00 70.34 H new ATOM 148 N LYS A 11 -20.801 14.047 -18.273 1.00 74.52 N ATOM 149 CA LYS A 11 -22.183 14.511 -18.301 1.00 12.24 C ATOM 150 C LYS A 11 -22.799 14.305 -19.680 1.00 75.45 C ATOM 151 O LYS A 11 -22.400 14.945 -20.653 1.00 45.33 O ATOM 152 CB LYS A 11 -22.253 15.991 -17.915 1.00 71.44 C ATOM 153 CG LYS A 11 -23.631 16.603 -18.100 1.00 21.34 C ATOM 154 CD LYS A 11 -23.564 17.900 -18.888 1.00 1.12 C ATOM 155 CE LYS A 11 -23.362 17.640 -20.373 1.00 11.32 C ATOM 156 NZ LYS A 11 -23.796 18.798 -21.202 1.00 42.44 N ATOM 0 H LYS A 11 -20.148 14.638 -18.787 1.00 74.52 H new ATOM 0 HA LYS A 11 -22.751 13.925 -17.578 1.00 12.24 H new ATOM 0 HB2 LYS A 11 -21.953 16.101 -16.873 1.00 71.44 H new ATOM 0 HB3 LYS A 11 -21.533 16.549 -18.514 1.00 71.44 H new ATOM 0 HG2 LYS A 11 -24.278 15.895 -18.618 1.00 21.34 H new ATOM 0 HG3 LYS A 11 -24.080 16.791 -17.125 1.00 21.34 H new ATOM 0 HD2 LYS A 11 -24.484 18.466 -18.738 1.00 1.12 H new ATOM 0 HD3 LYS A 11 -22.747 18.514 -18.511 1.00 1.12 H new ATOM 0 HE2 LYS A 11 -22.310 17.430 -20.565 1.00 11.32 H new ATOM 0 HE3 LYS A 11 -23.923 16.753 -20.666 1.00 11.32 H new ATOM 0 HZ1 LYS A 11 -23.642 18.582 -22.208 1.00 42.44 H new ATOM 0 HZ2 LYS A 11 -24.806 18.983 -21.038 1.00 42.44 H new ATOM 0 HZ3 LYS A 11 -23.243 19.639 -20.940 1.00 42.44 H new ATOM 170 N THR A 12 -23.777 13.407 -19.759 1.00 21.11 N ATOM 171 CA THR A 12 -24.449 13.116 -21.019 1.00 44.43 C ATOM 172 C THR A 12 -25.405 14.239 -21.404 1.00 12.20 C ATOM 173 O THR A 12 -25.859 15.002 -20.550 1.00 32.11 O ATOM 174 CB THR A 12 -25.232 11.792 -20.946 1.00 52.31 C ATOM 175 OG1 THR A 12 -26.378 11.947 -20.102 1.00 15.30 O ATOM 176 CG2 THR A 12 -24.352 10.671 -20.414 1.00 12.40 C ATOM 0 H THR A 12 -24.121 12.869 -18.964 1.00 21.11 H new ATOM 0 HA THR A 12 -23.672 13.028 -21.778 1.00 44.43 H new ATOM 0 HB THR A 12 -25.556 11.531 -21.954 1.00 52.31 H new ATOM 0 HG1 THR A 12 -26.657 11.070 -19.765 1.00 15.30 H new ATOM 0 HG21 THR A 12 -24.927 9.746 -20.372 1.00 12.40 H new ATOM 0 HG22 THR A 12 -23.496 10.536 -21.075 1.00 12.40 H new ATOM 0 HG23 THR A 12 -24.002 10.927 -19.414 1.00 12.40 H new ATOM 184 N LEU A 13 -25.709 14.336 -22.694 1.00 24.53 N ATOM 185 CA LEU A 13 -26.613 15.366 -23.192 1.00 72.10 C ATOM 186 C LEU A 13 -28.002 15.213 -22.580 1.00 51.43 C ATOM 187 O LEU A 13 -28.815 16.138 -22.618 1.00 5.21 O ATOM 188 CB LEU A 13 -26.705 15.297 -24.717 1.00 41.54 C ATOM 189 CG LEU A 13 -27.244 16.547 -25.414 1.00 44.51 C ATOM 190 CD1 LEU A 13 -26.255 17.696 -25.289 1.00 41.21 C ATOM 191 CD2 LEU A 13 -27.542 16.255 -26.877 1.00 54.44 C ATOM 0 H LEU A 13 -25.342 13.713 -23.414 1.00 24.53 H new ATOM 0 HA LEU A 13 -26.213 16.338 -22.902 1.00 72.10 H new ATOM 0 HB2 LEU A 13 -25.711 15.085 -25.112 1.00 41.54 H new ATOM 0 HB3 LEU A 13 -27.341 14.453 -24.985 1.00 41.54 H new ATOM 0 HG LEU A 13 -28.174 16.840 -24.926 1.00 44.51 H new ATOM 0 HD11 LEU A 13 -26.655 18.577 -25.791 1.00 41.21 H new ATOM 0 HD12 LEU A 13 -26.091 17.922 -24.235 1.00 41.21 H new ATOM 0 HD13 LEU A 13 -25.309 17.414 -25.751 1.00 41.21 H new ATOM 0 HD21 LEU A 13 -27.925 17.156 -27.357 1.00 54.44 H new ATOM 0 HD22 LEU A 13 -26.628 15.937 -27.378 1.00 54.44 H new ATOM 0 HD23 LEU A 13 -28.287 15.463 -26.945 1.00 54.44 H new ATOM 203 N THR A 14 -28.268 14.040 -22.014 1.00 55.24 N ATOM 204 CA THR A 14 -29.558 13.766 -21.393 1.00 52.54 C ATOM 205 C THR A 14 -29.600 14.287 -19.961 1.00 71.51 C ATOM 206 O THR A 14 -30.643 14.254 -19.309 1.00 2.50 O ATOM 207 CB THR A 14 -29.871 12.258 -21.389 1.00 41.22 C ATOM 208 OG1 THR A 14 -29.033 11.587 -20.442 1.00 32.24 O ATOM 209 CG2 THR A 14 -29.663 11.659 -22.772 1.00 20.43 C ATOM 0 H THR A 14 -27.607 13.264 -21.973 1.00 55.24 H new ATOM 0 HA THR A 14 -30.311 14.283 -21.987 1.00 52.54 H new ATOM 0 HB THR A 14 -30.916 12.126 -21.107 1.00 41.22 H new ATOM 0 HG1 THR A 14 -28.138 11.985 -20.458 1.00 32.24 H new ATOM 0 HG21 THR A 14 -29.890 10.593 -22.745 1.00 20.43 H new ATOM 0 HG22 THR A 14 -30.323 12.153 -23.485 1.00 20.43 H new ATOM 0 HG23 THR A 14 -28.627 11.801 -23.078 1.00 20.43 H new ATOM 217 N GLY A 15 -28.459 14.767 -19.477 1.00 24.42 N ATOM 218 CA GLY A 15 -28.387 15.288 -18.124 1.00 75.42 C ATOM 219 C GLY A 15 -28.157 14.199 -17.095 1.00 32.11 C ATOM 220 O GLY A 15 -28.999 13.966 -16.227 1.00 4.54 O ATOM 0 H GLY A 15 -27.583 14.805 -19.998 1.00 24.42 H new ATOM 0 HA2 GLY A 15 -27.581 16.019 -18.062 1.00 75.42 H new ATOM 0 HA3 GLY A 15 -29.313 15.814 -17.891 1.00 75.42 H new ATOM 224 N LYS A 16 -27.015 13.527 -17.192 1.00 3.42 N ATOM 225 CA LYS A 16 -26.675 12.456 -16.263 1.00 10.34 C ATOM 226 C LYS A 16 -25.181 12.457 -15.954 1.00 13.43 C ATOM 227 O LYS A 16 -24.349 12.498 -16.860 1.00 42.03 O ATOM 228 CB LYS A 16 -27.086 11.101 -16.842 1.00 62.14 C ATOM 229 CG LYS A 16 -27.399 10.057 -15.785 1.00 25.51 C ATOM 230 CD LYS A 16 -26.156 9.278 -15.385 1.00 51.41 C ATOM 231 CE LYS A 16 -25.653 8.408 -16.526 1.00 64.30 C ATOM 232 NZ LYS A 16 -25.985 6.971 -16.316 1.00 52.41 N ATOM 0 H LYS A 16 -26.308 13.706 -17.906 1.00 3.42 H new ATOM 0 HA LYS A 16 -27.220 12.628 -15.335 1.00 10.34 H new ATOM 0 HB2 LYS A 16 -27.962 11.237 -17.476 1.00 62.14 H new ATOM 0 HB3 LYS A 16 -26.284 10.730 -17.481 1.00 62.14 H new ATOM 0 HG2 LYS A 16 -27.823 10.543 -14.906 1.00 25.51 H new ATOM 0 HG3 LYS A 16 -28.154 9.369 -16.164 1.00 25.51 H new ATOM 0 HD2 LYS A 16 -25.372 9.972 -15.082 1.00 51.41 H new ATOM 0 HD3 LYS A 16 -26.380 8.653 -14.521 1.00 51.41 H new ATOM 0 HE2 LYS A 16 -26.092 8.749 -17.464 1.00 64.30 H new ATOM 0 HE3 LYS A 16 -24.573 8.521 -16.620 1.00 64.30 H new ATOM 0 HZ1 LYS A 16 -26.478 6.603 -17.154 1.00 52.41 H new ATOM 0 HZ2 LYS A 16 -25.109 6.431 -16.164 1.00 52.41 H new ATOM 0 HZ3 LYS A 16 -26.600 6.875 -15.483 1.00 52.41 H new ATOM 246 N THR A 17 -24.847 12.411 -14.668 1.00 34.04 N ATOM 247 CA THR A 17 -23.454 12.406 -14.239 1.00 53.24 C ATOM 248 C THR A 17 -22.970 10.988 -13.958 1.00 53.35 C ATOM 249 O THR A 17 -23.497 10.305 -13.080 1.00 13.43 O ATOM 250 CB THR A 17 -23.252 13.265 -12.977 1.00 2.30 C ATOM 251 OG1 THR A 17 -24.483 13.372 -12.254 1.00 73.21 O ATOM 252 CG2 THR A 17 -22.750 14.654 -13.342 1.00 55.33 C ATOM 0 H THR A 17 -25.523 12.377 -13.905 1.00 34.04 H new ATOM 0 HA THR A 17 -22.870 12.831 -15.056 1.00 53.24 H new ATOM 0 HB THR A 17 -22.504 12.779 -12.350 1.00 2.30 H new ATOM 0 HG1 THR A 17 -24.345 13.918 -11.452 1.00 73.21 H new ATOM 0 HG21 THR A 17 -22.615 15.242 -12.434 1.00 55.33 H new ATOM 0 HG22 THR A 17 -21.798 14.571 -13.866 1.00 55.33 H new ATOM 0 HG23 THR A 17 -23.477 15.146 -13.988 1.00 55.33 H new ATOM 260 N ILE A 18 -21.964 10.552 -14.709 1.00 75.10 N ATOM 261 CA ILE A 18 -21.409 9.215 -14.539 1.00 3.35 C ATOM 262 C ILE A 18 -19.939 9.278 -14.136 1.00 52.12 C ATOM 263 O ILE A 18 -19.178 10.099 -14.648 1.00 43.44 O ATOM 264 CB ILE A 18 -21.542 8.382 -15.827 1.00 25.22 C ATOM 265 CG1 ILE A 18 -20.646 7.144 -15.754 1.00 23.43 C ATOM 266 CG2 ILE A 18 -21.189 9.226 -17.042 1.00 53.15 C ATOM 267 CD1 ILE A 18 -20.909 6.142 -16.856 1.00 23.40 C ATOM 0 H ILE A 18 -21.517 11.105 -15.440 1.00 75.10 H new ATOM 0 HA ILE A 18 -21.981 8.734 -13.745 1.00 3.35 H new ATOM 0 HB ILE A 18 -22.577 8.054 -15.925 1.00 25.22 H new ATOM 0 HG12 ILE A 18 -19.603 7.457 -15.800 1.00 23.43 H new ATOM 0 HG13 ILE A 18 -20.790 6.657 -14.789 1.00 23.43 H new ATOM 0 HG21 ILE A 18 -21.288 8.623 -17.945 1.00 53.15 H new ATOM 0 HG22 ILE A 18 -21.864 10.080 -17.100 1.00 53.15 H new ATOM 0 HG23 ILE A 18 -20.162 9.580 -16.953 1.00 53.15 H new ATOM 0 HD11 ILE A 18 -20.238 5.291 -16.741 1.00 23.40 H new ATOM 0 HD12 ILE A 18 -21.942 5.800 -16.798 1.00 23.40 H new ATOM 0 HD13 ILE A 18 -20.736 6.612 -17.824 1.00 23.40 H new ATOM 279 N THR A 19 -19.545 8.403 -13.216 1.00 51.20 N ATOM 280 CA THR A 19 -18.167 8.358 -12.745 1.00 3.11 C ATOM 281 C THR A 19 -17.459 7.100 -13.236 1.00 2.52 C ATOM 282 O THR A 19 -18.036 6.013 -13.238 1.00 31.22 O ATOM 283 CB THR A 19 -18.097 8.406 -11.207 1.00 21.31 C ATOM 284 OG1 THR A 19 -19.204 9.152 -10.689 1.00 42.01 O ATOM 285 CG2 THR A 19 -16.792 9.036 -10.744 1.00 13.43 C ATOM 0 H THR A 19 -20.161 7.716 -12.782 1.00 51.20 H new ATOM 0 HA THR A 19 -17.665 9.236 -13.151 1.00 3.11 H new ATOM 0 HB THR A 19 -18.141 7.384 -10.831 1.00 21.31 H new ATOM 0 HG1 THR A 19 -18.906 10.054 -10.447 1.00 42.01 H new ATOM 0 HG21 THR A 19 -16.765 9.059 -9.655 1.00 13.43 H new ATOM 0 HG22 THR A 19 -15.952 8.448 -11.115 1.00 13.43 H new ATOM 0 HG23 THR A 19 -16.722 10.053 -11.130 1.00 13.43 H new ATOM 293 N ILE A 20 -16.206 7.256 -13.650 1.00 70.03 N ATOM 294 CA ILE A 20 -15.419 6.132 -14.142 1.00 33.44 C ATOM 295 C ILE A 20 -13.962 6.250 -13.710 1.00 3.13 C ATOM 296 O ILE A 20 -13.343 7.304 -13.859 1.00 60.12 O ATOM 297 CB ILE A 20 -15.481 6.029 -15.677 1.00 54.31 C ATOM 298 CG1 ILE A 20 -15.547 7.425 -16.301 1.00 31.13 C ATOM 299 CG2 ILE A 20 -16.680 5.195 -16.104 1.00 41.34 C ATOM 300 CD1 ILE A 20 -14.872 7.516 -17.651 1.00 61.43 C ATOM 0 H ILE A 20 -15.714 8.150 -13.654 1.00 70.03 H new ATOM 0 HA ILE A 20 -15.852 5.231 -13.708 1.00 33.44 H new ATOM 0 HB ILE A 20 -14.576 5.536 -16.030 1.00 54.31 H new ATOM 0 HG12 ILE A 20 -16.592 7.718 -16.406 1.00 31.13 H new ATOM 0 HG13 ILE A 20 -15.082 8.140 -15.622 1.00 31.13 H new ATOM 0 HG21 ILE A 20 -16.710 5.131 -17.192 1.00 41.34 H new ATOM 0 HG22 ILE A 20 -16.594 4.193 -15.684 1.00 41.34 H new ATOM 0 HG23 ILE A 20 -17.596 5.663 -15.742 1.00 41.34 H new ATOM 0 HD11 ILE A 20 -14.958 8.533 -18.033 1.00 61.43 H new ATOM 0 HD12 ILE A 20 -13.819 7.254 -17.550 1.00 61.43 H new ATOM 0 HD13 ILE A 20 -15.352 6.826 -18.345 1.00 61.43 H new ATOM 312 N ASP A 21 -13.419 5.162 -13.175 1.00 64.12 N ATOM 313 CA ASP A 21 -12.032 5.142 -12.724 1.00 0.20 C ATOM 314 C ASP A 21 -11.087 4.845 -13.884 1.00 72.51 C ATOM 315 O ASP A 21 -11.178 3.793 -14.518 1.00 43.22 O ATOM 316 CB ASP A 21 -11.847 4.100 -11.620 1.00 15.45 C ATOM 317 CG ASP A 21 -12.287 2.715 -12.051 1.00 14.21 C ATOM 318 OD1 ASP A 21 -13.481 2.392 -11.879 1.00 30.22 O ATOM 319 OD2 ASP A 21 -11.438 1.954 -12.560 1.00 3.11 O ATOM 0 H ASP A 21 -13.918 4.282 -13.043 1.00 64.12 H new ATOM 0 HA ASP A 21 -11.791 6.128 -12.326 1.00 0.20 H new ATOM 0 HB2 ASP A 21 -10.798 4.069 -11.325 1.00 15.45 H new ATOM 0 HB3 ASP A 21 -12.416 4.402 -10.741 1.00 15.45 H new ATOM 324 N VAL A 22 -10.181 5.778 -14.157 1.00 51.03 N ATOM 325 CA VAL A 22 -9.219 5.616 -15.241 1.00 53.01 C ATOM 326 C VAL A 22 -7.795 5.848 -14.751 1.00 25.43 C ATOM 327 O VAL A 22 -7.580 6.435 -13.690 1.00 61.31 O ATOM 328 CB VAL A 22 -9.514 6.584 -16.403 1.00 34.44 C ATOM 329 CG1 VAL A 22 -10.954 7.070 -16.340 1.00 11.33 C ATOM 330 CG2 VAL A 22 -8.545 7.756 -16.378 1.00 71.34 C ATOM 0 H VAL A 22 -10.093 6.654 -13.642 1.00 51.03 H new ATOM 0 HA VAL A 22 -9.315 4.591 -15.598 1.00 53.01 H new ATOM 0 HB VAL A 22 -9.377 6.049 -17.343 1.00 34.44 H new ATOM 0 HG11 VAL A 22 -11.144 7.753 -17.168 1.00 11.33 H new ATOM 0 HG12 VAL A 22 -11.629 6.217 -16.410 1.00 11.33 H new ATOM 0 HG13 VAL A 22 -11.122 7.589 -15.396 1.00 11.33 H new ATOM 0 HG21 VAL A 22 -8.768 8.430 -17.205 1.00 71.34 H new ATOM 0 HG22 VAL A 22 -8.648 8.293 -15.435 1.00 71.34 H new ATOM 0 HG23 VAL A 22 -7.524 7.386 -16.476 1.00 71.34 H new ATOM 340 N ASP A 23 -6.824 5.383 -15.530 1.00 20.14 N ATOM 341 CA ASP A 23 -5.418 5.541 -15.176 1.00 30.43 C ATOM 342 C ASP A 23 -4.685 6.376 -16.221 1.00 30.12 C ATOM 343 O ASP A 23 -5.157 6.533 -17.347 1.00 42.44 O ATOM 344 CB ASP A 23 -4.748 4.172 -15.037 1.00 55.51 C ATOM 345 CG ASP A 23 -3.698 4.150 -13.944 1.00 41.12 C ATOM 346 OD1 ASP A 23 -2.806 5.024 -13.961 1.00 71.23 O ATOM 347 OD2 ASP A 23 -3.767 3.258 -13.072 1.00 51.44 O ATOM 0 H ASP A 23 -6.985 4.894 -16.410 1.00 20.14 H new ATOM 0 HA ASP A 23 -5.366 6.061 -14.220 1.00 30.43 H new ATOM 0 HB2 ASP A 23 -5.507 3.419 -14.823 1.00 55.51 H new ATOM 0 HB3 ASP A 23 -4.286 3.899 -15.986 1.00 55.51 H new ATOM 352 N HIS A 24 -3.529 6.910 -15.839 1.00 52.44 N ATOM 353 CA HIS A 24 -2.731 7.731 -16.744 1.00 21.54 C ATOM 354 C HIS A 24 -2.337 6.941 -17.988 1.00 53.15 C ATOM 355 O HIS A 24 -1.948 7.518 -19.003 1.00 60.25 O ATOM 356 CB HIS A 24 -1.478 8.240 -16.031 1.00 43.34 C ATOM 357 CG HIS A 24 -0.655 7.152 -15.415 1.00 24.44 C ATOM 358 ND1 HIS A 24 -0.431 7.054 -14.057 1.00 41.34 N ATOM 359 CD2 HIS A 24 -0.001 6.109 -15.978 1.00 33.52 C ATOM 360 CE1 HIS A 24 0.326 6.000 -13.813 1.00 31.53 C ATOM 361 NE2 HIS A 24 0.600 5.408 -14.961 1.00 61.13 N ATOM 0 H HIS A 24 -3.124 6.789 -14.911 1.00 52.44 H new ATOM 0 HA HIS A 24 -3.336 8.583 -17.053 1.00 21.54 H new ATOM 0 HB2 HIS A 24 -0.863 8.790 -16.743 1.00 43.34 H new ATOM 0 HB3 HIS A 24 -1.773 8.945 -15.254 1.00 43.34 H new ATOM 0 HD2 HIS A 24 0.041 5.872 -17.031 1.00 33.52 H new ATOM 0 HE1 HIS A 24 0.664 5.677 -12.839 1.00 31.53 H new ATOM 0 HE2 HIS A 24 1.166 4.567 -15.074 1.00 61.13 H new ATOM 369 N ALA A 25 -2.441 5.619 -17.902 1.00 61.02 N ATOM 370 CA ALA A 25 -2.097 4.751 -19.022 1.00 10.14 C ATOM 371 C ALA A 25 -3.311 4.491 -19.908 1.00 5.23 C ATOM 372 O ALA A 25 -3.249 3.691 -20.841 1.00 74.03 O ATOM 373 CB ALA A 25 -1.521 3.438 -18.514 1.00 30.44 C ATOM 0 H ALA A 25 -2.761 5.125 -17.069 1.00 61.02 H new ATOM 0 HA ALA A 25 -1.342 5.257 -19.624 1.00 10.14 H new ATOM 0 HB1 ALA A 25 -1.269 2.800 -19.361 1.00 30.44 H new ATOM 0 HB2 ALA A 25 -0.623 3.637 -17.929 1.00 30.44 H new ATOM 0 HB3 ALA A 25 -2.258 2.935 -17.888 1.00 30.44 H new ATOM 379 N ASP A 26 -4.412 5.171 -19.609 1.00 2.31 N ATOM 380 CA ASP A 26 -5.640 5.014 -20.379 1.00 52.10 C ATOM 381 C ASP A 26 -5.973 6.295 -21.138 1.00 72.32 C ATOM 382 O ASP A 26 -6.165 7.353 -20.539 1.00 12.22 O ATOM 383 CB ASP A 26 -6.801 4.637 -19.457 1.00 24.40 C ATOM 384 CG ASP A 26 -6.580 3.307 -18.763 1.00 4.13 C ATOM 385 OD1 ASP A 26 -6.587 2.268 -19.455 1.00 53.22 O ATOM 386 OD2 ASP A 26 -6.400 3.305 -17.527 1.00 3.53 O ATOM 0 H ASP A 26 -4.479 5.836 -18.839 1.00 2.31 H new ATOM 0 HA ASP A 26 -5.486 4.213 -21.103 1.00 52.10 H new ATOM 0 HB2 ASP A 26 -6.934 5.417 -18.707 1.00 24.40 H new ATOM 0 HB3 ASP A 26 -7.722 4.592 -20.037 1.00 24.40 H new ATOM 391 N THR A 27 -6.039 6.192 -22.462 1.00 74.31 N ATOM 392 CA THR A 27 -6.347 7.341 -23.304 1.00 2.23 C ATOM 393 C THR A 27 -7.850 7.579 -23.381 1.00 54.52 C ATOM 394 O THR A 27 -8.645 6.744 -22.949 1.00 43.00 O ATOM 395 CB THR A 27 -5.793 7.158 -24.729 1.00 74.44 C ATOM 396 OG1 THR A 27 -5.862 5.778 -25.108 1.00 2.24 O ATOM 397 CG2 THR A 27 -4.354 7.642 -24.818 1.00 11.12 C ATOM 0 H THR A 27 -5.883 5.324 -22.974 1.00 74.31 H new ATOM 0 HA THR A 27 -5.869 8.206 -22.845 1.00 2.23 H new ATOM 0 HB THR A 27 -6.402 7.753 -25.410 1.00 74.44 H new ATOM 0 HG1 THR A 27 -5.509 5.670 -26.016 1.00 2.24 H new ATOM 0 HG21 THR A 27 -3.985 7.502 -25.834 1.00 11.12 H new ATOM 0 HG22 THR A 27 -4.309 8.700 -24.558 1.00 11.12 H new ATOM 0 HG23 THR A 27 -3.735 7.072 -24.126 1.00 11.12 H new ATOM 405 N VAL A 28 -8.236 8.725 -23.935 1.00 63.34 N ATOM 406 CA VAL A 28 -9.645 9.072 -24.071 1.00 51.14 C ATOM 407 C VAL A 28 -10.423 7.954 -24.755 1.00 73.32 C ATOM 408 O VAL A 28 -11.491 7.553 -24.293 1.00 41.51 O ATOM 409 CB VAL A 28 -9.827 10.374 -24.874 1.00 13.34 C ATOM 410 CG1 VAL A 28 -11.221 10.944 -24.657 1.00 42.50 C ATOM 411 CG2 VAL A 28 -8.761 11.389 -24.490 1.00 13.50 C ATOM 0 H VAL A 28 -7.592 9.428 -24.297 1.00 63.34 H new ATOM 0 HA VAL A 28 -10.034 9.217 -23.063 1.00 51.14 H new ATOM 0 HB VAL A 28 -9.715 10.146 -25.934 1.00 13.34 H new ATOM 0 HG11 VAL A 28 -11.332 11.863 -25.232 1.00 42.50 H new ATOM 0 HG12 VAL A 28 -11.966 10.219 -24.985 1.00 42.50 H new ATOM 0 HG13 VAL A 28 -11.366 11.158 -23.598 1.00 42.50 H new ATOM 0 HG21 VAL A 28 -8.904 12.303 -25.067 1.00 13.50 H new ATOM 0 HG22 VAL A 28 -8.840 11.615 -23.427 1.00 13.50 H new ATOM 0 HG23 VAL A 28 -7.774 10.978 -24.701 1.00 13.50 H new ATOM 421 N GLY A 29 -9.880 7.452 -25.860 1.00 72.04 N ATOM 422 CA GLY A 29 -10.537 6.384 -26.591 1.00 22.54 C ATOM 423 C GLY A 29 -11.019 5.271 -25.681 1.00 54.11 C ATOM 424 O GLY A 29 -12.180 4.866 -25.747 1.00 25.12 O ATOM 0 H GLY A 29 -8.997 7.766 -26.262 1.00 72.04 H new ATOM 0 HA2 GLY A 29 -11.385 6.792 -27.141 1.00 22.54 H new ATOM 0 HA3 GLY A 29 -9.846 5.974 -27.328 1.00 22.54 H new ATOM 428 N ALA A 30 -10.127 4.775 -24.831 1.00 24.30 N ATOM 429 CA ALA A 30 -10.468 3.703 -23.904 1.00 60.53 C ATOM 430 C ALA A 30 -11.585 4.130 -22.958 1.00 24.22 C ATOM 431 O ALA A 30 -12.441 3.326 -22.588 1.00 64.23 O ATOM 432 CB ALA A 30 -9.239 3.276 -23.115 1.00 71.33 C ATOM 0 H ALA A 30 -9.162 5.098 -24.765 1.00 24.30 H new ATOM 0 HA ALA A 30 -10.825 2.853 -24.486 1.00 60.53 H new ATOM 0 HB1 ALA A 30 -9.509 2.475 -22.427 1.00 71.33 H new ATOM 0 HB2 ALA A 30 -8.471 2.921 -23.802 1.00 71.33 H new ATOM 0 HB3 ALA A 30 -8.856 4.126 -22.550 1.00 71.33 H new ATOM 438 N VAL A 31 -11.570 5.400 -22.568 1.00 3.53 N ATOM 439 CA VAL A 31 -12.582 5.935 -21.664 1.00 64.31 C ATOM 440 C VAL A 31 -13.962 5.912 -22.310 1.00 34.51 C ATOM 441 O VAL A 31 -14.945 5.511 -21.686 1.00 74.11 O ATOM 442 CB VAL A 31 -12.250 7.378 -21.240 1.00 24.32 C ATOM 443 CG1 VAL A 31 -13.378 7.962 -20.404 1.00 31.43 C ATOM 444 CG2 VAL A 31 -10.934 7.419 -20.478 1.00 23.05 C ATOM 0 H VAL A 31 -10.868 6.078 -22.864 1.00 3.53 H new ATOM 0 HA VAL A 31 -12.586 5.297 -20.780 1.00 64.31 H new ATOM 0 HB VAL A 31 -12.143 7.987 -22.138 1.00 24.32 H new ATOM 0 HG11 VAL A 31 -13.125 8.982 -20.114 1.00 31.43 H new ATOM 0 HG12 VAL A 31 -14.298 7.968 -20.988 1.00 31.43 H new ATOM 0 HG13 VAL A 31 -13.520 7.355 -19.510 1.00 31.43 H new ATOM 0 HG21 VAL A 31 -10.715 8.446 -20.186 1.00 23.05 H new ATOM 0 HG22 VAL A 31 -11.010 6.797 -19.586 1.00 23.05 H new ATOM 0 HG23 VAL A 31 -10.133 7.044 -21.115 1.00 23.05 H new ATOM 454 N LYS A 32 -14.030 6.343 -23.565 1.00 0.44 N ATOM 455 CA LYS A 32 -15.290 6.371 -24.298 1.00 1.21 C ATOM 456 C LYS A 32 -15.945 4.994 -24.307 1.00 64.52 C ATOM 457 O LYS A 32 -17.156 4.870 -24.126 1.00 44.35 O ATOM 458 CB LYS A 32 -15.058 6.847 -25.734 1.00 24.22 C ATOM 459 CG LYS A 32 -15.779 8.141 -26.070 1.00 64.32 C ATOM 460 CD LYS A 32 -14.853 9.341 -25.956 1.00 73.52 C ATOM 461 CE LYS A 32 -14.328 9.771 -27.317 1.00 73.24 C ATOM 462 NZ LYS A 32 -13.756 8.626 -28.079 1.00 35.34 N ATOM 0 H LYS A 32 -13.226 6.678 -24.096 1.00 0.44 H new ATOM 0 HA LYS A 32 -15.959 7.069 -23.794 1.00 1.21 H new ATOM 0 HB2 LYS A 32 -13.989 6.985 -25.894 1.00 24.22 H new ATOM 0 HB3 LYS A 32 -15.386 6.069 -26.423 1.00 24.22 H new ATOM 0 HG2 LYS A 32 -16.179 8.084 -27.082 1.00 64.32 H new ATOM 0 HG3 LYS A 32 -16.628 8.270 -25.399 1.00 64.32 H new ATOM 0 HD2 LYS A 32 -15.386 10.171 -25.492 1.00 73.52 H new ATOM 0 HD3 LYS A 32 -14.016 9.095 -25.303 1.00 73.52 H new ATOM 0 HE2 LYS A 32 -15.137 10.222 -27.892 1.00 73.24 H new ATOM 0 HE3 LYS A 32 -13.564 10.538 -27.186 1.00 73.24 H new ATOM 0 HZ1 LYS A 32 -13.245 8.984 -28.911 1.00 35.34 H new ATOM 0 HZ2 LYS A 32 -13.099 8.098 -27.470 1.00 35.34 H new ATOM 0 HZ3 LYS A 32 -14.524 7.996 -28.388 1.00 35.34 H new ATOM 476 N ALA A 33 -15.136 3.960 -24.517 1.00 44.34 N ATOM 477 CA ALA A 33 -15.636 2.592 -24.546 1.00 71.33 C ATOM 478 C ALA A 33 -16.213 2.189 -23.193 1.00 45.21 C ATOM 479 O ALA A 33 -17.254 1.536 -23.119 1.00 43.33 O ATOM 480 CB ALA A 33 -14.528 1.633 -24.956 1.00 50.04 C ATOM 0 H ALA A 33 -14.131 4.045 -24.670 1.00 44.34 H new ATOM 0 HA ALA A 33 -16.437 2.540 -25.283 1.00 71.33 H new ATOM 0 HB1 ALA A 33 -14.916 0.615 -24.973 1.00 50.04 H new ATOM 0 HB2 ALA A 33 -14.165 1.900 -25.948 1.00 50.04 H new ATOM 0 HB3 ALA A 33 -13.708 1.697 -24.240 1.00 50.04 H new ATOM 486 N LYS A 34 -15.529 2.582 -22.124 1.00 1.03 N ATOM 487 CA LYS A 34 -15.972 2.263 -20.772 1.00 15.22 C ATOM 488 C LYS A 34 -17.356 2.846 -20.501 1.00 41.14 C ATOM 489 O LYS A 34 -18.217 2.182 -19.924 1.00 11.35 O ATOM 490 CB LYS A 34 -14.972 2.799 -19.745 1.00 71.20 C ATOM 491 CG LYS A 34 -15.329 2.453 -18.310 1.00 33.31 C ATOM 492 CD LYS A 34 -14.168 2.718 -17.367 1.00 11.24 C ATOM 493 CE LYS A 34 -14.599 2.622 -15.911 1.00 52.41 C ATOM 494 NZ LYS A 34 -14.026 1.423 -15.241 1.00 22.34 N ATOM 0 H LYS A 34 -14.665 3.122 -22.168 1.00 1.03 H new ATOM 0 HA LYS A 34 -16.029 1.178 -20.682 1.00 15.22 H new ATOM 0 HB2 LYS A 34 -13.983 2.400 -19.971 1.00 71.20 H new ATOM 0 HB3 LYS A 34 -14.909 3.883 -19.844 1.00 71.20 H new ATOM 0 HG2 LYS A 34 -16.193 3.039 -17.998 1.00 33.31 H new ATOM 0 HG3 LYS A 34 -15.616 1.403 -18.249 1.00 33.31 H new ATOM 0 HD2 LYS A 34 -13.370 2.000 -17.559 1.00 11.24 H new ATOM 0 HD3 LYS A 34 -13.759 3.709 -17.562 1.00 11.24 H new ATOM 0 HE2 LYS A 34 -14.285 3.520 -15.379 1.00 52.41 H new ATOM 0 HE3 LYS A 34 -15.687 2.583 -15.856 1.00 52.41 H new ATOM 0 HZ1 LYS A 34 -14.343 1.394 -14.251 1.00 22.34 H new ATOM 0 HZ2 LYS A 34 -14.346 0.564 -15.733 1.00 22.34 H new ATOM 0 HZ3 LYS A 34 -12.988 1.472 -15.271 1.00 22.34 H new ATOM 508 N ILE A 35 -17.562 4.089 -20.924 1.00 30.13 N ATOM 509 CA ILE A 35 -18.842 4.759 -20.729 1.00 22.00 C ATOM 510 C ILE A 35 -19.944 4.085 -21.539 1.00 50.11 C ATOM 511 O ILE A 35 -21.089 3.997 -21.096 1.00 32.24 O ATOM 512 CB ILE A 35 -18.765 6.245 -21.125 1.00 1.43 C ATOM 513 CG1 ILE A 35 -17.633 6.940 -20.365 1.00 11.12 C ATOM 514 CG2 ILE A 35 -20.094 6.935 -20.854 1.00 4.04 C ATOM 515 CD1 ILE A 35 -17.789 6.880 -18.861 1.00 42.24 C ATOM 0 H ILE A 35 -16.860 4.652 -21.404 1.00 30.13 H new ATOM 0 HA ILE A 35 -19.078 4.686 -19.667 1.00 22.00 H new ATOM 0 HB ILE A 35 -18.555 6.311 -22.192 1.00 1.43 H new ATOM 0 HG12 ILE A 35 -16.684 6.481 -20.642 1.00 11.12 H new ATOM 0 HG13 ILE A 35 -17.585 7.984 -20.676 1.00 11.12 H new ATOM 0 HG21 ILE A 35 -20.024 7.985 -21.139 1.00 4.04 H new ATOM 0 HG22 ILE A 35 -20.880 6.453 -21.436 1.00 4.04 H new ATOM 0 HG23 ILE A 35 -20.332 6.862 -19.793 1.00 4.04 H new ATOM 0 HD11 ILE A 35 -16.951 7.392 -18.388 1.00 42.24 H new ATOM 0 HD12 ILE A 35 -18.721 7.365 -18.572 1.00 42.24 H new ATOM 0 HD13 ILE A 35 -17.807 5.839 -18.538 1.00 42.24 H new ATOM 527 N TYR A 36 -19.590 3.610 -22.728 1.00 33.21 N ATOM 528 CA TYR A 36 -20.549 2.944 -23.601 1.00 75.20 C ATOM 529 C TYR A 36 -21.198 1.758 -22.894 1.00 32.15 C ATOM 530 O TYR A 36 -22.414 1.574 -22.954 1.00 30.10 O ATOM 531 CB TYR A 36 -19.862 2.473 -24.884 1.00 20.23 C ATOM 532 CG TYR A 36 -20.204 1.051 -25.267 1.00 24.54 C ATOM 533 CD1 TYR A 36 -21.453 0.730 -25.783 1.00 42.01 C ATOM 534 CD2 TYR A 36 -19.276 0.027 -25.113 1.00 12.23 C ATOM 535 CE1 TYR A 36 -21.769 -0.568 -26.134 1.00 33.25 C ATOM 536 CE2 TYR A 36 -19.583 -1.274 -25.462 1.00 14.31 C ATOM 537 CZ TYR A 36 -20.831 -1.566 -25.971 1.00 73.43 C ATOM 538 OH TYR A 36 -21.142 -2.861 -26.320 1.00 52.45 O ATOM 0 H TYR A 36 -18.646 3.674 -23.109 1.00 33.21 H new ATOM 0 HA TYR A 36 -21.328 3.662 -23.856 1.00 75.20 H new ATOM 0 HB2 TYR A 36 -20.142 3.138 -25.701 1.00 20.23 H new ATOM 0 HB3 TYR A 36 -18.782 2.557 -24.760 1.00 20.23 H new ATOM 0 HD1 TYR A 36 -22.190 1.509 -25.912 1.00 42.01 H new ATOM 0 HD2 TYR A 36 -18.298 0.253 -24.714 1.00 12.23 H new ATOM 0 HE1 TYR A 36 -22.745 -0.800 -26.534 1.00 33.25 H new ATOM 0 HE2 TYR A 36 -18.850 -2.057 -25.337 1.00 14.31 H new ATOM 0 HH TYR A 36 -20.372 -3.441 -26.144 1.00 52.45 H new ATOM 548 N ASP A 37 -20.378 0.957 -22.223 1.00 21.13 N ATOM 549 CA ASP A 37 -20.870 -0.211 -21.501 1.00 51.12 C ATOM 550 C ASP A 37 -21.566 0.203 -20.208 1.00 72.43 C ATOM 551 O ASP A 37 -22.528 -0.434 -19.777 1.00 51.32 O ATOM 552 CB ASP A 37 -19.718 -1.168 -21.191 1.00 72.32 C ATOM 553 CG ASP A 37 -20.021 -2.593 -21.611 1.00 62.21 C ATOM 554 OD1 ASP A 37 -19.874 -2.901 -22.812 1.00 63.31 O ATOM 555 OD2 ASP A 37 -20.405 -3.400 -20.739 1.00 35.23 O ATOM 0 H ASP A 37 -19.369 1.095 -22.164 1.00 21.13 H new ATOM 0 HA ASP A 37 -21.595 -0.721 -22.135 1.00 51.12 H new ATOM 0 HB2 ASP A 37 -18.818 -0.826 -21.701 1.00 72.32 H new ATOM 0 HB3 ASP A 37 -19.507 -1.144 -20.122 1.00 72.32 H new ATOM 560 N LYS A 38 -21.073 1.272 -19.593 1.00 12.01 N ATOM 561 CA LYS A 38 -21.647 1.772 -18.349 1.00 62.11 C ATOM 562 C LYS A 38 -23.131 2.080 -18.519 1.00 71.45 C ATOM 563 O LYS A 38 -23.955 1.676 -17.700 1.00 73.30 O ATOM 564 CB LYS A 38 -20.904 3.029 -17.890 1.00 31.43 C ATOM 565 CG LYS A 38 -20.195 2.863 -16.557 1.00 23.21 C ATOM 566 CD LYS A 38 -18.734 2.490 -16.745 1.00 62.24 C ATOM 567 CE LYS A 38 -18.518 0.991 -16.602 1.00 12.03 C ATOM 568 NZ LYS A 38 -17.837 0.412 -17.793 1.00 1.14 N ATOM 0 H LYS A 38 -20.277 1.809 -19.936 1.00 12.01 H new ATOM 0 HA LYS A 38 -21.540 0.996 -17.591 1.00 62.11 H new ATOM 0 HB2 LYS A 38 -20.173 3.306 -18.649 1.00 31.43 H new ATOM 0 HB3 LYS A 38 -21.613 3.853 -17.815 1.00 31.43 H new ATOM 0 HG2 LYS A 38 -20.264 3.791 -15.989 1.00 23.21 H new ATOM 0 HG3 LYS A 38 -20.696 2.092 -15.971 1.00 23.21 H new ATOM 0 HD2 LYS A 38 -18.398 2.815 -17.730 1.00 62.24 H new ATOM 0 HD3 LYS A 38 -18.125 3.018 -16.011 1.00 62.24 H new ATOM 0 HE2 LYS A 38 -17.922 0.793 -15.711 1.00 12.03 H new ATOM 0 HE3 LYS A 38 -19.479 0.498 -16.458 1.00 12.03 H new ATOM 0 HZ1 LYS A 38 -18.392 -0.389 -18.155 1.00 1.14 H new ATOM 0 HZ2 LYS A 38 -17.754 1.138 -18.533 1.00 1.14 H new ATOM 0 HZ3 LYS A 38 -16.888 0.082 -17.524 1.00 1.14 H new ATOM 582 N GLU A 39 -23.464 2.795 -19.589 1.00 44.42 N ATOM 583 CA GLU A 39 -24.849 3.156 -19.866 1.00 32.31 C ATOM 584 C GLU A 39 -25.420 2.298 -20.992 1.00 43.40 C ATOM 585 O GLU A 39 -26.437 1.628 -20.822 1.00 70.21 O ATOM 586 CB GLU A 39 -24.950 4.637 -20.236 1.00 71.23 C ATOM 587 CG GLU A 39 -23.779 5.469 -19.743 1.00 24.14 C ATOM 588 CD GLU A 39 -23.755 5.606 -18.233 1.00 33.44 C ATOM 589 OE1 GLU A 39 -23.895 4.576 -17.541 1.00 20.51 O ATOM 590 OE2 GLU A 39 -23.597 6.744 -17.743 1.00 31.40 O ATOM 0 H GLU A 39 -22.793 3.136 -20.278 1.00 44.42 H new ATOM 0 HA GLU A 39 -25.432 2.975 -18.963 1.00 32.31 H new ATOM 0 HB2 GLU A 39 -25.018 4.728 -21.320 1.00 71.23 H new ATOM 0 HB3 GLU A 39 -25.873 5.044 -19.823 1.00 71.23 H new ATOM 0 HG2 GLU A 39 -22.847 5.012 -20.077 1.00 24.14 H new ATOM 0 HG3 GLU A 39 -23.828 6.460 -20.193 1.00 24.14 H new ATOM 597 N GLY A 40 -24.756 2.327 -22.144 1.00 31.41 N ATOM 598 CA GLY A 40 -25.212 1.549 -23.282 1.00 5.43 C ATOM 599 C GLY A 40 -25.480 2.409 -24.501 1.00 31.01 C ATOM 600 O GLY A 40 -26.515 2.266 -25.153 1.00 42.42 O ATOM 0 H GLY A 40 -23.912 2.875 -22.309 1.00 31.41 H new ATOM 0 HA2 GLY A 40 -24.462 0.798 -23.529 1.00 5.43 H new ATOM 0 HA3 GLY A 40 -26.122 1.014 -23.011 1.00 5.43 H new ATOM 604 N ILE A 41 -24.548 3.304 -24.809 1.00 1.44 N ATOM 605 CA ILE A 41 -24.690 4.190 -25.957 1.00 41.52 C ATOM 606 C ILE A 41 -23.460 4.126 -26.856 1.00 40.33 C ATOM 607 O ILE A 41 -22.376 3.719 -26.439 1.00 22.30 O ATOM 608 CB ILE A 41 -24.916 5.649 -25.518 1.00 44.43 C ATOM 609 CG1 ILE A 41 -24.104 5.957 -24.258 1.00 53.00 C ATOM 610 CG2 ILE A 41 -26.396 5.907 -25.278 1.00 44.32 C ATOM 611 CD1 ILE A 41 -24.213 7.397 -23.806 1.00 62.51 C ATOM 0 H ILE A 41 -23.686 3.435 -24.279 1.00 1.44 H new ATOM 0 HA ILE A 41 -25.562 3.848 -26.514 1.00 41.52 H new ATOM 0 HB ILE A 41 -24.577 6.310 -26.316 1.00 44.43 H new ATOM 0 HG12 ILE A 41 -24.439 5.305 -23.451 1.00 53.00 H new ATOM 0 HG13 ILE A 41 -23.056 5.721 -24.444 1.00 53.00 H new ATOM 0 HG21 ILE A 41 -26.539 6.942 -24.968 1.00 44.32 H new ATOM 0 HG22 ILE A 41 -26.951 5.723 -26.198 1.00 44.32 H new ATOM 0 HG23 ILE A 41 -26.759 5.241 -24.496 1.00 44.32 H new ATOM 0 HD11 ILE A 41 -23.612 7.543 -22.908 1.00 62.51 H new ATOM 0 HD12 ILE A 41 -23.851 8.055 -24.596 1.00 62.51 H new ATOM 0 HD13 ILE A 41 -25.255 7.632 -23.588 1.00 62.51 H new ATOM 623 N PRO A 42 -23.629 4.540 -28.121 1.00 14.00 N ATOM 624 CA PRO A 42 -22.543 4.542 -29.105 1.00 73.45 C ATOM 625 C PRO A 42 -21.485 5.595 -28.799 1.00 44.41 C ATOM 626 O PRO A 42 -21.751 6.797 -28.803 1.00 52.43 O ATOM 627 CB PRO A 42 -23.257 4.867 -30.420 1.00 63.11 C ATOM 628 CG PRO A 42 -24.479 5.614 -30.013 1.00 14.22 C ATOM 629 CD PRO A 42 -24.894 5.039 -28.687 1.00 31.41 C ATOM 0 HA PRO A 42 -22.004 3.595 -29.119 1.00 73.45 H new ATOM 0 HB2 PRO A 42 -22.626 5.467 -31.075 1.00 63.11 H new ATOM 0 HB3 PRO A 42 -23.512 3.959 -30.967 1.00 63.11 H new ATOM 0 HG2 PRO A 42 -24.274 6.681 -29.928 1.00 14.22 H new ATOM 0 HG3 PRO A 42 -25.271 5.499 -30.753 1.00 14.22 H new ATOM 0 HD2 PRO A 42 -25.351 5.794 -28.047 1.00 31.41 H new ATOM 0 HD3 PRO A 42 -25.624 4.239 -28.807 1.00 31.41 H new ATOM 637 N PRO A 43 -20.254 5.137 -28.527 1.00 3.22 N ATOM 638 CA PRO A 43 -19.130 6.025 -28.214 1.00 62.22 C ATOM 639 C PRO A 43 -18.670 6.827 -29.427 1.00 25.42 C ATOM 640 O PRO A 43 -18.194 7.954 -29.293 1.00 52.32 O ATOM 641 CB PRO A 43 -18.031 5.060 -27.763 1.00 23.15 C ATOM 642 CG PRO A 43 -18.363 3.769 -28.427 1.00 75.14 C ATOM 643 CD PRO A 43 -19.864 3.717 -28.504 1.00 13.21 C ATOM 0 HA PRO A 43 -19.396 6.771 -27.464 1.00 62.22 H new ATOM 0 HB2 PRO A 43 -17.045 5.416 -28.061 1.00 23.15 H new ATOM 0 HB3 PRO A 43 -18.017 4.955 -26.678 1.00 23.15 H new ATOM 0 HG2 PRO A 43 -17.919 3.716 -29.421 1.00 75.14 H new ATOM 0 HG3 PRO A 43 -17.972 2.926 -27.858 1.00 75.14 H new ATOM 0 HD2 PRO A 43 -20.203 3.193 -29.398 1.00 13.21 H new ATOM 0 HD3 PRO A 43 -20.292 3.196 -27.648 1.00 13.21 H new ATOM 651 N ASP A 44 -18.814 6.238 -30.609 1.00 30.22 N ATOM 652 CA ASP A 44 -18.414 6.898 -31.846 1.00 53.40 C ATOM 653 C ASP A 44 -19.398 8.005 -32.213 1.00 42.23 C ATOM 654 O ASP A 44 -19.095 8.868 -33.037 1.00 14.21 O ATOM 655 CB ASP A 44 -18.322 5.882 -32.985 1.00 54.02 C ATOM 656 CG ASP A 44 -17.501 6.393 -34.152 1.00 51.44 C ATOM 657 OD1 ASP A 44 -16.278 6.574 -33.982 1.00 45.42 O ATOM 658 OD2 ASP A 44 -18.082 6.613 -35.236 1.00 12.50 O ATOM 0 H ASP A 44 -19.205 5.305 -30.737 1.00 30.22 H new ATOM 0 HA ASP A 44 -17.432 7.345 -31.689 1.00 53.40 H new ATOM 0 HB2 ASP A 44 -17.880 4.959 -32.610 1.00 54.02 H new ATOM 0 HB3 ASP A 44 -19.326 5.636 -33.331 1.00 54.02 H new ATOM 663 N GLN A 45 -20.575 7.972 -31.598 1.00 12.15 N ATOM 664 CA GLN A 45 -21.603 8.972 -31.862 1.00 33.33 C ATOM 665 C GLN A 45 -21.565 10.081 -30.816 1.00 52.20 C ATOM 666 O GLN A 45 -22.194 11.126 -30.983 1.00 74.53 O ATOM 667 CB GLN A 45 -22.987 8.319 -31.880 1.00 25.24 C ATOM 668 CG GLN A 45 -23.389 7.783 -33.244 1.00 63.12 C ATOM 669 CD GLN A 45 -24.403 6.660 -33.154 1.00 60.23 C ATOM 670 OE1 GLN A 45 -25.506 6.844 -32.639 1.00 20.33 O ATOM 671 NE2 GLN A 45 -24.035 5.487 -33.657 1.00 45.41 N ATOM 0 H GLN A 45 -20.841 7.264 -30.914 1.00 12.15 H new ATOM 0 HA GLN A 45 -21.404 9.412 -32.839 1.00 33.33 H new ATOM 0 HB2 GLN A 45 -23.004 7.502 -31.159 1.00 25.24 H new ATOM 0 HB3 GLN A 45 -23.728 9.048 -31.553 1.00 25.24 H new ATOM 0 HG2 GLN A 45 -23.804 8.595 -33.841 1.00 63.12 H new ATOM 0 HG3 GLN A 45 -22.501 7.425 -33.765 1.00 63.12 H new ATOM 0 HE21 GLN A 45 -23.111 5.379 -34.075 1.00 45.41 H new ATOM 0 HE22 GLN A 45 -24.677 4.695 -33.625 1.00 45.41 H new ATOM 680 N GLN A 46 -20.824 9.847 -29.738 1.00 64.33 N ATOM 681 CA GLN A 46 -20.705 10.827 -28.665 1.00 71.31 C ATOM 682 C GLN A 46 -19.275 11.346 -28.558 1.00 12.31 C ATOM 683 O GLN A 46 -18.321 10.638 -28.880 1.00 73.11 O ATOM 684 CB GLN A 46 -21.138 10.211 -27.333 1.00 62.14 C ATOM 685 CG GLN A 46 -20.292 9.021 -26.910 1.00 71.22 C ATOM 686 CD GLN A 46 -20.183 8.889 -25.404 1.00 25.11 C ATOM 687 OE1 GLN A 46 -21.161 8.579 -24.724 1.00 22.44 O ATOM 688 NE2 GLN A 46 -18.988 9.124 -24.874 1.00 41.21 N ATOM 0 H GLN A 46 -20.297 8.987 -29.584 1.00 64.33 H new ATOM 0 HA GLN A 46 -21.360 11.666 -28.899 1.00 71.31 H new ATOM 0 HB2 GLN A 46 -21.090 10.974 -26.557 1.00 62.14 H new ATOM 0 HB3 GLN A 46 -22.179 9.898 -27.408 1.00 62.14 H new ATOM 0 HG2 GLN A 46 -20.724 8.108 -27.321 1.00 71.22 H new ATOM 0 HG3 GLN A 46 -19.293 9.120 -27.336 1.00 71.22 H new ATOM 0 HE21 GLN A 46 -18.204 9.378 -25.475 1.00 41.21 H new ATOM 0 HE22 GLN A 46 -18.854 9.050 -23.866 1.00 41.21 H new ATOM 697 N ARG A 47 -19.134 12.587 -28.104 1.00 13.33 N ATOM 698 CA ARG A 47 -17.821 13.202 -27.956 1.00 3.23 C ATOM 699 C ARG A 47 -17.720 13.958 -26.634 1.00 51.10 C ATOM 700 O ARG A 47 -18.730 14.233 -25.985 1.00 54.02 O ATOM 701 CB ARG A 47 -17.545 14.153 -29.122 1.00 1.23 C ATOM 702 CG ARG A 47 -17.727 13.511 -30.487 1.00 43.24 C ATOM 703 CD ARG A 47 -17.195 14.404 -31.598 1.00 23.32 C ATOM 704 NE ARG A 47 -17.435 13.834 -32.921 1.00 31.43 N ATOM 705 CZ ARG A 47 -17.357 14.533 -34.047 1.00 63.35 C ATOM 706 NH1 ARG A 47 -17.046 15.821 -34.012 1.00 4.01 N ATOM 707 NH2 ARG A 47 -17.589 13.943 -35.213 1.00 73.12 N ATOM 0 H ARG A 47 -19.913 13.186 -27.832 1.00 13.33 H new ATOM 0 HA ARG A 47 -17.074 12.408 -27.959 1.00 3.23 H new ATOM 0 HB2 ARG A 47 -18.209 15.014 -29.043 1.00 1.23 H new ATOM 0 HB3 ARG A 47 -16.525 14.529 -29.040 1.00 1.23 H new ATOM 0 HG2 ARG A 47 -17.210 12.552 -30.511 1.00 43.24 H new ATOM 0 HG3 ARG A 47 -18.784 13.308 -30.657 1.00 43.24 H new ATOM 0 HD2 ARG A 47 -17.669 15.383 -31.534 1.00 23.32 H new ATOM 0 HD3 ARG A 47 -16.125 14.558 -31.458 1.00 23.32 H new ATOM 0 HE ARG A 47 -17.676 12.845 -32.983 1.00 31.43 H new ATOM 0 HH11 ARG A 47 -16.866 16.278 -33.118 1.00 4.01 H new ATOM 0 HH12 ARG A 47 -16.987 16.355 -34.879 1.00 4.01 H new ATOM 0 HH21 ARG A 47 -17.827 12.952 -35.244 1.00 73.12 H new ATOM 0 HH22 ARG A 47 -17.529 14.481 -36.078 1.00 73.12 H new ATOM 721 N LEU A 48 -16.496 14.291 -26.241 1.00 23.03 N ATOM 722 CA LEU A 48 -16.262 15.015 -24.996 1.00 33.01 C ATOM 723 C LEU A 48 -15.955 16.484 -25.270 1.00 34.24 C ATOM 724 O LEU A 48 -15.359 16.823 -26.292 1.00 54.32 O ATOM 725 CB LEU A 48 -15.108 14.377 -24.220 1.00 74.15 C ATOM 726 CG LEU A 48 -14.991 12.856 -24.322 1.00 73.34 C ATOM 727 CD1 LEU A 48 -16.368 12.210 -24.278 1.00 5.21 C ATOM 728 CD2 LEU A 48 -14.256 12.462 -25.595 1.00 71.51 C ATOM 0 H LEU A 48 -15.650 14.071 -26.766 1.00 23.03 H new ATOM 0 HA LEU A 48 -17.170 14.958 -24.396 1.00 33.01 H new ATOM 0 HB2 LEU A 48 -14.174 14.817 -24.569 1.00 74.15 H new ATOM 0 HB3 LEU A 48 -15.212 14.644 -23.168 1.00 74.15 H new ATOM 0 HG LEU A 48 -14.416 12.497 -23.468 1.00 73.34 H new ATOM 0 HD11 LEU A 48 -16.265 11.127 -24.352 1.00 5.21 H new ATOM 0 HD12 LEU A 48 -16.859 12.464 -23.339 1.00 5.21 H new ATOM 0 HD13 LEU A 48 -16.968 12.575 -25.112 1.00 5.21 H new ATOM 0 HD21 LEU A 48 -14.182 11.376 -25.651 1.00 71.51 H new ATOM 0 HD22 LEU A 48 -14.804 12.834 -26.461 1.00 71.51 H new ATOM 0 HD23 LEU A 48 -13.255 12.894 -25.586 1.00 71.51 H new ATOM 740 N ILE A 49 -16.364 17.350 -24.349 1.00 34.14 N ATOM 741 CA ILE A 49 -16.130 18.782 -24.489 1.00 61.45 C ATOM 742 C ILE A 49 -15.741 19.409 -23.155 1.00 73.11 C ATOM 743 O ILE A 49 -16.429 19.232 -22.150 1.00 34.44 O ATOM 744 CB ILE A 49 -17.373 19.504 -25.041 1.00 13.12 C ATOM 745 CG1 ILE A 49 -17.475 19.307 -26.555 1.00 10.13 C ATOM 746 CG2 ILE A 49 -17.322 20.985 -24.696 1.00 64.01 C ATOM 747 CD1 ILE A 49 -18.740 18.600 -26.988 1.00 61.04 C ATOM 0 H ILE A 49 -16.859 17.085 -23.498 1.00 34.14 H new ATOM 0 HA ILE A 49 -15.308 18.900 -25.195 1.00 61.45 H new ATOM 0 HB ILE A 49 -18.261 19.073 -24.578 1.00 13.12 H new ATOM 0 HG12 ILE A 49 -17.427 20.280 -27.044 1.00 10.13 H new ATOM 0 HG13 ILE A 49 -16.613 18.735 -26.898 1.00 10.13 H new ATOM 0 HG21 ILE A 49 -18.207 21.482 -25.093 1.00 64.01 H new ATOM 0 HG22 ILE A 49 -17.293 21.106 -23.613 1.00 64.01 H new ATOM 0 HG23 ILE A 49 -16.429 21.430 -25.135 1.00 64.01 H new ATOM 0 HD11 ILE A 49 -18.745 18.495 -28.073 1.00 61.04 H new ATOM 0 HD12 ILE A 49 -18.781 17.613 -26.527 1.00 61.04 H new ATOM 0 HD13 ILE A 49 -19.607 19.182 -26.676 1.00 61.04 H new ATOM 759 N PHE A 50 -14.635 20.145 -23.153 1.00 64.34 N ATOM 760 CA PHE A 50 -14.154 20.800 -21.943 1.00 31.05 C ATOM 761 C PHE A 50 -14.117 22.315 -22.122 1.00 60.21 C ATOM 762 O PHE A 50 -13.281 22.844 -22.853 1.00 4.02 O ATOM 763 CB PHE A 50 -12.761 20.284 -21.577 1.00 2.14 C ATOM 764 CG PHE A 50 -12.344 20.626 -20.175 1.00 0.22 C ATOM 765 CD1 PHE A 50 -13.088 20.189 -19.091 1.00 25.14 C ATOM 766 CD2 PHE A 50 -11.209 21.386 -19.941 1.00 62.33 C ATOM 767 CE1 PHE A 50 -12.707 20.502 -17.799 1.00 64.42 C ATOM 768 CE2 PHE A 50 -10.823 21.701 -18.652 1.00 43.13 C ATOM 769 CZ PHE A 50 -11.573 21.260 -17.580 1.00 71.40 C ATOM 0 H PHE A 50 -14.055 20.303 -23.977 1.00 64.34 H new ATOM 0 HA PHE A 50 -14.845 20.564 -21.134 1.00 31.05 H new ATOM 0 HB2 PHE A 50 -12.740 19.201 -21.700 1.00 2.14 H new ATOM 0 HB3 PHE A 50 -12.034 20.699 -22.275 1.00 2.14 H new ATOM 0 HD1 PHE A 50 -13.976 19.597 -19.257 1.00 25.14 H new ATOM 0 HD2 PHE A 50 -10.619 21.736 -20.775 1.00 62.33 H new ATOM 0 HE1 PHE A 50 -13.295 20.154 -16.962 1.00 64.42 H new ATOM 0 HE2 PHE A 50 -9.935 22.292 -18.483 1.00 43.13 H new ATOM 0 HZ PHE A 50 -11.274 21.507 -16.572 1.00 71.40 H new ATOM 779 N GLY A 51 -15.031 23.007 -21.449 1.00 54.24 N ATOM 780 CA GLY A 51 -15.087 24.454 -21.548 1.00 50.01 C ATOM 781 C GLY A 51 -15.652 24.923 -22.874 1.00 42.41 C ATOM 782 O GLY A 51 -15.829 26.121 -23.092 1.00 52.12 O ATOM 0 H GLY A 51 -15.734 22.592 -20.837 1.00 54.24 H new ATOM 0 HA2 GLY A 51 -15.699 24.847 -20.736 1.00 50.01 H new ATOM 0 HA3 GLY A 51 -14.085 24.863 -21.418 1.00 50.01 H new ATOM 786 N GLY A 52 -15.934 23.977 -23.764 1.00 60.41 N ATOM 787 CA GLY A 52 -16.477 24.320 -25.065 1.00 71.23 C ATOM 788 C GLY A 52 -15.736 23.641 -26.200 1.00 51.22 C ATOM 789 O GLY A 52 -16.289 23.442 -27.282 1.00 52.10 O ATOM 0 H GLY A 52 -15.796 22.979 -23.607 1.00 60.41 H new ATOM 0 HA2 GLY A 52 -17.529 24.038 -25.102 1.00 71.23 H new ATOM 0 HA3 GLY A 52 -16.432 25.401 -25.201 1.00 71.23 H new ATOM 793 N LYS A 53 -14.479 23.286 -25.955 1.00 74.13 N ATOM 794 CA LYS A 53 -13.660 22.626 -26.965 1.00 2.04 C ATOM 795 C LYS A 53 -13.745 21.109 -26.828 1.00 52.22 C ATOM 796 O LYS A 53 -13.847 20.582 -25.721 1.00 22.01 O ATOM 797 CB LYS A 53 -12.203 23.078 -26.844 1.00 2.35 C ATOM 798 CG LYS A 53 -11.586 22.787 -25.486 1.00 54.32 C ATOM 799 CD LYS A 53 -10.872 21.446 -25.474 1.00 14.11 C ATOM 800 CE LYS A 53 -9.693 21.434 -26.435 1.00 34.52 C ATOM 801 NZ LYS A 53 -8.392 21.354 -25.715 1.00 11.40 N ATOM 0 H LYS A 53 -14.005 23.444 -25.066 1.00 74.13 H new ATOM 0 HA LYS A 53 -14.041 22.907 -27.947 1.00 2.04 H new ATOM 0 HB2 LYS A 53 -11.613 22.583 -27.615 1.00 2.35 H new ATOM 0 HB3 LYS A 53 -12.146 24.149 -27.037 1.00 2.35 H new ATOM 0 HG2 LYS A 53 -10.881 23.578 -25.229 1.00 54.32 H new ATOM 0 HG3 LYS A 53 -12.364 22.793 -24.723 1.00 54.32 H new ATOM 0 HD2 LYS A 53 -10.523 21.228 -24.465 1.00 14.11 H new ATOM 0 HD3 LYS A 53 -11.573 20.657 -25.746 1.00 14.11 H new ATOM 0 HE2 LYS A 53 -9.786 20.586 -27.113 1.00 34.52 H new ATOM 0 HE3 LYS A 53 -9.714 22.335 -27.047 1.00 34.52 H new ATOM 0 HZ1 LYS A 53 -7.630 21.161 -26.396 1.00 11.40 H new ATOM 0 HZ2 LYS A 53 -8.206 22.257 -25.233 1.00 11.40 H new ATOM 0 HZ3 LYS A 53 -8.431 20.588 -25.012 1.00 11.40 H new ATOM 815 N GLN A 54 -13.702 20.414 -27.960 1.00 40.45 N ATOM 816 CA GLN A 54 -13.774 18.958 -27.966 1.00 2.13 C ATOM 817 C GLN A 54 -12.476 18.347 -27.448 1.00 42.11 C ATOM 818 O GLN A 54 -11.445 19.018 -27.380 1.00 51.23 O ATOM 819 CB GLN A 54 -14.065 18.446 -29.377 1.00 71.23 C ATOM 820 CG GLN A 54 -15.501 17.987 -29.574 1.00 21.34 C ATOM 821 CD GLN A 54 -16.460 19.142 -29.778 1.00 54.44 C ATOM 822 OE1 GLN A 54 -16.198 20.266 -29.348 1.00 31.22 O ATOM 823 NE2 GLN A 54 -17.580 18.872 -30.439 1.00 13.51 N ATOM 0 H GLN A 54 -13.618 20.836 -28.885 1.00 40.45 H new ATOM 0 HA GLN A 54 -14.586 18.657 -27.304 1.00 2.13 H new ATOM 0 HB2 GLN A 54 -13.843 19.236 -30.094 1.00 71.23 H new ATOM 0 HB3 GLN A 54 -13.394 17.617 -29.599 1.00 71.23 H new ATOM 0 HG2 GLN A 54 -15.551 17.322 -30.436 1.00 21.34 H new ATOM 0 HG3 GLN A 54 -15.816 17.408 -28.706 1.00 21.34 H new ATOM 0 HE21 GLN A 54 -17.757 17.926 -30.778 1.00 13.51 H new ATOM 0 HE22 GLN A 54 -18.263 19.610 -30.608 1.00 13.51 H new ATOM 832 N LEU A 55 -12.533 17.071 -27.084 1.00 4.05 N ATOM 833 CA LEU A 55 -11.361 16.369 -26.571 1.00 71.32 C ATOM 834 C LEU A 55 -10.943 15.246 -27.515 1.00 73.22 C ATOM 835 O LEU A 55 -11.757 14.401 -27.887 1.00 65.41 O ATOM 836 CB LEU A 55 -11.650 15.800 -25.181 1.00 13.42 C ATOM 837 CG LEU A 55 -12.203 16.789 -24.153 1.00 74.34 C ATOM 838 CD1 LEU A 55 -12.328 16.127 -22.790 1.00 1.33 C ATOM 839 CD2 LEU A 55 -11.318 18.023 -24.071 1.00 4.35 C ATOM 0 H LEU A 55 -13.378 16.501 -27.134 1.00 4.05 H new ATOM 0 HA LEU A 55 -10.542 17.085 -26.501 1.00 71.32 H new ATOM 0 HB2 LEU A 55 -12.361 14.980 -25.286 1.00 13.42 H new ATOM 0 HB3 LEU A 55 -10.728 15.373 -24.786 1.00 13.42 H new ATOM 0 HG LEU A 55 -13.197 17.101 -24.474 1.00 74.34 H new ATOM 0 HD11 LEU A 55 -12.723 16.845 -22.071 1.00 1.33 H new ATOM 0 HD12 LEU A 55 -13.004 15.275 -22.860 1.00 1.33 H new ATOM 0 HD13 LEU A 55 -11.347 15.786 -22.460 1.00 1.33 H new ATOM 0 HD21 LEU A 55 -11.727 18.715 -23.335 1.00 4.35 H new ATOM 0 HD22 LEU A 55 -10.311 17.730 -23.774 1.00 4.35 H new ATOM 0 HD23 LEU A 55 -11.281 18.510 -25.046 1.00 4.35 H new ATOM 851 N GLU A 56 -9.670 15.243 -27.897 1.00 2.43 N ATOM 852 CA GLU A 56 -9.145 14.223 -28.796 1.00 64.03 C ATOM 853 C GLU A 56 -9.161 12.850 -28.131 1.00 35.15 C ATOM 854 O GLU A 56 -9.572 12.712 -26.978 1.00 53.01 O ATOM 855 CB GLU A 56 -7.719 14.576 -29.227 1.00 32.33 C ATOM 856 CG GLU A 56 -7.578 15.991 -29.762 1.00 63.41 C ATOM 857 CD GLU A 56 -6.163 16.307 -30.207 1.00 1.34 C ATOM 858 OE1 GLU A 56 -5.310 15.396 -30.161 1.00 44.52 O ATOM 859 OE2 GLU A 56 -5.909 17.465 -30.599 1.00 41.03 O ATOM 0 H GLU A 56 -8.983 15.936 -27.598 1.00 2.43 H new ATOM 0 HA GLU A 56 -9.786 14.188 -29.677 1.00 64.03 H new ATOM 0 HB2 GLU A 56 -7.049 14.450 -28.376 1.00 32.33 H new ATOM 0 HB3 GLU A 56 -7.396 13.873 -29.994 1.00 32.33 H new ATOM 0 HG2 GLU A 56 -8.258 16.127 -30.603 1.00 63.41 H new ATOM 0 HG3 GLU A 56 -7.879 16.699 -28.990 1.00 63.41 H new ATOM 866 N ASP A 57 -8.713 11.838 -28.865 1.00 20.34 N ATOM 867 CA ASP A 57 -8.676 10.475 -28.346 1.00 44.14 C ATOM 868 C ASP A 57 -7.570 10.319 -27.307 1.00 43.03 C ATOM 869 O ASP A 57 -7.608 9.412 -26.476 1.00 75.45 O ATOM 870 CB ASP A 57 -8.465 9.478 -29.487 1.00 42.43 C ATOM 871 CG ASP A 57 -9.215 9.871 -30.745 1.00 1.01 C ATOM 872 OD1 ASP A 57 -10.337 10.405 -30.624 1.00 20.03 O ATOM 873 OD2 ASP A 57 -8.680 9.644 -31.851 1.00 31.55 O ATOM 0 H ASP A 57 -8.370 11.935 -29.821 1.00 20.34 H new ATOM 0 HA ASP A 57 -9.633 10.269 -27.866 1.00 44.14 H new ATOM 0 HB2 ASP A 57 -7.401 9.405 -29.710 1.00 42.43 H new ATOM 0 HB3 ASP A 57 -8.792 8.489 -29.167 1.00 42.43 H new ATOM 878 N SER A 58 -6.584 11.209 -27.361 1.00 52.30 N ATOM 879 CA SER A 58 -5.465 11.168 -26.428 1.00 24.43 C ATOM 880 C SER A 58 -5.519 12.346 -25.460 1.00 54.35 C ATOM 881 O SER A 58 -4.624 12.530 -24.638 1.00 4.03 O ATOM 882 CB SER A 58 -4.138 11.179 -27.189 1.00 43.42 C ATOM 883 OG SER A 58 -3.052 10.886 -26.327 1.00 32.12 O ATOM 0 H SER A 58 -6.538 11.967 -28.042 1.00 52.30 H new ATOM 0 HA SER A 58 -5.539 10.245 -25.853 1.00 24.43 H new ATOM 0 HB2 SER A 58 -4.173 10.448 -27.997 1.00 43.42 H new ATOM 0 HB3 SER A 58 -3.988 12.155 -27.649 1.00 43.42 H new ATOM 0 HG SER A 58 -3.242 11.235 -25.431 1.00 32.12 H new ATOM 889 N ASN A 59 -6.578 13.142 -25.567 1.00 15.20 N ATOM 890 CA ASN A 59 -6.751 14.304 -24.703 1.00 13.13 C ATOM 891 C ASN A 59 -7.307 13.893 -23.343 1.00 21.43 C ATOM 892 O ASN A 59 -8.517 13.919 -23.122 1.00 32.44 O ATOM 893 CB ASN A 59 -7.686 15.321 -25.361 1.00 44.13 C ATOM 894 CG ASN A 59 -7.249 16.752 -25.114 1.00 43.24 C ATOM 895 OD1 ASN A 59 -6.060 17.032 -24.963 1.00 5.51 O ATOM 896 ND2 ASN A 59 -8.211 17.666 -25.073 1.00 35.23 N ATOM 0 H ASN A 59 -7.329 13.004 -26.243 1.00 15.20 H new ATOM 0 HA ASN A 59 -5.773 14.762 -24.553 1.00 13.13 H new ATOM 0 HB2 ASN A 59 -7.723 15.135 -26.434 1.00 44.13 H new ATOM 0 HB3 ASN A 59 -8.697 15.182 -24.979 1.00 44.13 H new ATOM 0 HD21 ASN A 59 -7.977 18.646 -24.911 1.00 35.23 H new ATOM 0 HD22 ASN A 59 -9.184 17.389 -25.203 1.00 35.23 H new ATOM 903 N ALA A 60 -6.413 13.514 -22.435 1.00 34.33 N ATOM 904 CA ALA A 60 -6.814 13.099 -21.096 1.00 5.43 C ATOM 905 C ALA A 60 -5.596 12.807 -20.225 1.00 34.31 C ATOM 906 O ALA A 60 -5.098 13.686 -19.523 1.00 11.02 O ATOM 907 CB ALA A 60 -7.718 11.878 -21.169 1.00 52.34 C ATOM 0 H ALA A 60 -5.407 13.486 -22.602 1.00 34.33 H new ATOM 0 HA ALA A 60 -7.368 13.919 -20.639 1.00 5.43 H new ATOM 0 HB1 ALA A 60 -8.009 11.580 -20.162 1.00 52.34 H new ATOM 0 HB2 ALA A 60 -8.609 12.119 -21.748 1.00 52.34 H new ATOM 0 HB3 ALA A 60 -7.184 11.058 -21.650 1.00 52.34 H new ATOM 913 N MET A 61 -5.123 11.566 -20.275 1.00 72.23 N ATOM 914 CA MET A 61 -3.964 11.158 -19.491 1.00 5.23 C ATOM 915 C MET A 61 -2.798 12.118 -19.705 1.00 4.11 C ATOM 916 O MET A 61 -2.227 12.640 -18.747 1.00 52.11 O ATOM 917 CB MET A 61 -3.543 9.735 -19.864 1.00 11.30 C ATOM 918 CG MET A 61 -3.790 9.392 -21.324 1.00 32.10 C ATOM 919 SD MET A 61 -2.480 8.374 -22.029 1.00 60.43 S ATOM 920 CE MET A 61 -1.890 9.442 -23.341 1.00 21.54 C ATOM 0 H MET A 61 -5.525 10.826 -20.850 1.00 72.23 H new ATOM 0 HA MET A 61 -4.243 11.182 -18.438 1.00 5.23 H new ATOM 0 HB2 MET A 61 -2.483 9.609 -19.644 1.00 11.30 H new ATOM 0 HB3 MET A 61 -4.085 9.028 -19.236 1.00 11.30 H new ATOM 0 HG2 MET A 61 -4.741 8.867 -21.414 1.00 32.10 H new ATOM 0 HG3 MET A 61 -3.879 10.313 -21.900 1.00 32.10 H new ATOM 0 HE1 MET A 61 -1.506 8.834 -24.160 1.00 21.54 H new ATOM 0 HE2 MET A 61 -2.711 10.062 -23.702 1.00 21.54 H new ATOM 0 HE3 MET A 61 -1.093 10.081 -22.960 1.00 21.54 H new ATOM 930 N SER A 62 -2.448 12.346 -20.967 1.00 75.00 N ATOM 931 CA SER A 62 -1.348 13.240 -21.306 1.00 44.11 C ATOM 932 C SER A 62 -1.765 14.699 -21.149 1.00 42.25 C ATOM 933 O SER A 62 -0.953 15.553 -20.792 1.00 54.43 O ATOM 934 CB SER A 62 -0.877 12.983 -22.739 1.00 51.41 C ATOM 935 OG SER A 62 -0.353 14.164 -23.323 1.00 73.40 O ATOM 0 H SER A 62 -2.911 11.923 -21.772 1.00 75.00 H new ATOM 0 HA SER A 62 -0.525 13.040 -20.620 1.00 44.11 H new ATOM 0 HB2 SER A 62 -0.115 12.204 -22.740 1.00 51.41 H new ATOM 0 HB3 SER A 62 -1.710 12.616 -23.339 1.00 51.41 H new ATOM 0 HG SER A 62 -0.058 13.973 -24.238 1.00 73.40 H new ATOM 941 N ASP A 63 -3.036 14.977 -21.419 1.00 64.44 N ATOM 942 CA ASP A 63 -3.563 16.332 -21.308 1.00 23.20 C ATOM 943 C ASP A 63 -3.346 16.885 -19.903 1.00 13.11 C ATOM 944 O ASP A 63 -3.275 18.099 -19.707 1.00 30.41 O ATOM 945 CB ASP A 63 -5.052 16.352 -21.654 1.00 14.51 C ATOM 946 CG ASP A 63 -5.539 17.737 -22.033 1.00 55.21 C ATOM 947 OD1 ASP A 63 -4.781 18.471 -22.702 1.00 75.30 O ATOM 948 OD2 ASP A 63 -6.679 18.087 -21.662 1.00 10.14 O ATOM 0 H ASP A 63 -3.720 14.282 -21.716 1.00 64.44 H new ATOM 0 HA ASP A 63 -3.026 16.965 -22.015 1.00 23.20 H new ATOM 0 HB2 ASP A 63 -5.240 15.665 -22.480 1.00 14.51 H new ATOM 0 HB3 ASP A 63 -5.625 15.989 -20.801 1.00 14.51 H new ATOM 953 N TYR A 64 -3.244 15.988 -18.929 1.00 22.02 N ATOM 954 CA TYR A 64 -3.039 16.386 -17.541 1.00 53.42 C ATOM 955 C TYR A 64 -4.328 16.935 -16.936 1.00 71.32 C ATOM 956 O TYR A 64 -4.304 17.632 -15.923 1.00 64.00 O ATOM 957 CB TYR A 64 -1.932 17.437 -17.448 1.00 42.33 C ATOM 958 CG TYR A 64 -1.237 17.468 -16.106 1.00 20.23 C ATOM 959 CD1 TYR A 64 -0.354 16.461 -15.736 1.00 31.44 C ATOM 960 CD2 TYR A 64 -1.464 18.503 -15.207 1.00 61.31 C ATOM 961 CE1 TYR A 64 0.283 16.484 -14.510 1.00 34.22 C ATOM 962 CE2 TYR A 64 -0.831 18.535 -13.980 1.00 24.22 C ATOM 963 CZ TYR A 64 0.041 17.523 -13.636 1.00 4.13 C ATOM 964 OH TYR A 64 0.673 17.551 -12.413 1.00 62.35 O ATOM 0 H TYR A 64 -3.300 14.980 -19.075 1.00 22.02 H new ATOM 0 HA TYR A 64 -2.741 15.502 -16.977 1.00 53.42 H new ATOM 0 HB2 TYR A 64 -1.193 17.244 -18.226 1.00 42.33 H new ATOM 0 HB3 TYR A 64 -2.358 18.420 -17.650 1.00 42.33 H new ATOM 0 HD1 TYR A 64 -0.162 15.646 -16.418 1.00 31.44 H new ATOM 0 HD2 TYR A 64 -2.147 19.296 -15.472 1.00 61.31 H new ATOM 0 HE1 TYR A 64 0.966 15.693 -14.238 1.00 34.22 H new ATOM 0 HE2 TYR A 64 -1.018 19.348 -13.294 1.00 24.22 H new ATOM 0 HH TYR A 64 0.394 18.350 -11.919 1.00 62.35 H new ATOM 974 N ASN A 65 -5.453 16.613 -17.566 1.00 34.20 N ATOM 975 CA ASN A 65 -6.753 17.072 -17.091 1.00 14.21 C ATOM 976 C ASN A 65 -7.554 15.918 -16.495 1.00 42.11 C ATOM 977 O ASN A 65 -8.765 16.022 -16.304 1.00 15.24 O ATOM 978 CB ASN A 65 -7.540 17.716 -18.235 1.00 65.41 C ATOM 979 CG ASN A 65 -8.783 18.435 -17.749 1.00 42.43 C ATOM 980 OD1 ASN A 65 -8.722 19.248 -16.827 1.00 13.24 O ATOM 981 ND2 ASN A 65 -9.919 18.139 -18.370 1.00 64.21 N ATOM 0 H ASN A 65 -5.491 16.036 -18.406 1.00 34.20 H new ATOM 0 HA ASN A 65 -6.584 17.815 -16.311 1.00 14.21 H new ATOM 0 HB2 ASN A 65 -6.898 18.422 -18.762 1.00 65.41 H new ATOM 0 HB3 ASN A 65 -7.826 16.948 -18.953 1.00 65.41 H new ATOM 0 HD21 ASN A 65 -10.788 18.592 -18.087 1.00 64.21 H new ATOM 0 HD22 ASN A 65 -9.923 17.458 -19.130 1.00 64.21 H new ATOM 988 N VAL A 66 -6.868 14.818 -16.203 1.00 64.33 N ATOM 989 CA VAL A 66 -7.513 13.644 -15.628 1.00 13.15 C ATOM 990 C VAL A 66 -7.239 13.544 -14.131 1.00 42.42 C ATOM 991 O VAL A 66 -6.303 12.868 -13.706 1.00 63.14 O ATOM 992 CB VAL A 66 -7.038 12.349 -16.313 1.00 13.11 C ATOM 993 CG1 VAL A 66 -5.519 12.302 -16.371 1.00 31.45 C ATOM 994 CG2 VAL A 66 -7.591 11.130 -15.590 1.00 0.44 C ATOM 0 H VAL A 66 -5.865 14.715 -16.355 1.00 64.33 H new ATOM 0 HA VAL A 66 -8.584 13.760 -15.792 1.00 13.15 H new ATOM 0 HB VAL A 66 -7.417 12.339 -17.335 1.00 13.11 H new ATOM 0 HG11 VAL A 66 -5.202 11.380 -16.858 1.00 31.45 H new ATOM 0 HG12 VAL A 66 -5.150 13.157 -16.937 1.00 31.45 H new ATOM 0 HG13 VAL A 66 -5.115 12.335 -15.359 1.00 31.45 H new ATOM 0 HG21 VAL A 66 -7.245 10.224 -16.088 1.00 0.44 H new ATOM 0 HG22 VAL A 66 -7.244 11.131 -14.557 1.00 0.44 H new ATOM 0 HG23 VAL A 66 -8.680 11.160 -15.607 1.00 0.44 H new ATOM 1004 N GLN A 67 -8.062 14.222 -13.338 1.00 3.43 N ATOM 1005 CA GLN A 67 -7.907 14.210 -11.888 1.00 21.11 C ATOM 1006 C GLN A 67 -8.802 13.151 -11.254 1.00 34.41 C ATOM 1007 O GLN A 67 -9.491 12.405 -11.952 1.00 4.34 O ATOM 1008 CB GLN A 67 -8.235 15.586 -11.307 1.00 12.40 C ATOM 1009 CG GLN A 67 -9.607 16.104 -11.708 1.00 11.34 C ATOM 1010 CD GLN A 67 -9.947 17.427 -11.049 1.00 63.11 C ATOM 1011 OE1 GLN A 67 -9.556 17.685 -9.910 1.00 45.25 O ATOM 1012 NE2 GLN A 67 -10.679 18.274 -11.764 1.00 24.43 N ATOM 0 H GLN A 67 -8.842 14.786 -13.675 1.00 3.43 H new ATOM 0 HA GLN A 67 -6.869 13.966 -11.661 1.00 21.11 H new ATOM 0 HB2 GLN A 67 -8.179 15.535 -10.220 1.00 12.40 H new ATOM 0 HB3 GLN A 67 -7.477 16.299 -11.632 1.00 12.40 H new ATOM 0 HG2 GLN A 67 -9.644 16.222 -12.791 1.00 11.34 H new ATOM 0 HG3 GLN A 67 -10.362 15.365 -11.441 1.00 11.34 H new ATOM 0 HE21 GLN A 67 -10.981 18.019 -12.704 1.00 24.43 H new ATOM 0 HE22 GLN A 67 -10.939 19.180 -11.373 1.00 24.43 H new ATOM 1021 N LYS A 68 -8.789 13.089 -9.927 1.00 24.43 N ATOM 1022 CA LYS A 68 -9.600 12.121 -9.197 1.00 43.30 C ATOM 1023 C LYS A 68 -11.083 12.330 -9.483 1.00 35.05 C ATOM 1024 O LYS A 68 -11.866 11.380 -9.472 1.00 43.33 O ATOM 1025 CB LYS A 68 -9.338 12.236 -7.694 1.00 3.14 C ATOM 1026 CG LYS A 68 -9.867 11.059 -6.892 1.00 42.24 C ATOM 1027 CD LYS A 68 -9.097 9.785 -7.198 1.00 5.54 C ATOM 1028 CE LYS A 68 -7.779 9.736 -6.440 1.00 23.13 C ATOM 1029 NZ LYS A 68 -7.985 9.777 -4.965 1.00 42.25 N ATOM 0 H LYS A 68 -8.225 13.698 -9.334 1.00 24.43 H new ATOM 0 HA LYS A 68 -9.320 11.122 -9.533 1.00 43.30 H new ATOM 0 HB2 LYS A 68 -8.265 12.326 -7.527 1.00 3.14 H new ATOM 0 HB3 LYS A 68 -9.796 13.153 -7.323 1.00 3.14 H new ATOM 0 HG2 LYS A 68 -9.796 11.282 -5.827 1.00 42.24 H new ATOM 0 HG3 LYS A 68 -10.923 10.910 -7.116 1.00 42.24 H new ATOM 0 HD2 LYS A 68 -9.703 8.919 -6.932 1.00 5.54 H new ATOM 0 HD3 LYS A 68 -8.905 9.723 -8.269 1.00 5.54 H new ATOM 0 HE2 LYS A 68 -7.241 8.826 -6.706 1.00 23.13 H new ATOM 0 HE3 LYS A 68 -7.154 10.576 -6.743 1.00 23.13 H new ATOM 0 HZ1 LYS A 68 -7.174 9.332 -4.489 1.00 42.25 H new ATOM 0 HZ2 LYS A 68 -8.070 10.766 -4.654 1.00 42.25 H new ATOM 0 HZ3 LYS A 68 -8.855 9.262 -4.722 1.00 42.25 H new ATOM 1043 N GLU A 69 -11.463 13.578 -9.738 1.00 44.32 N ATOM 1044 CA GLU A 69 -12.853 13.910 -10.027 1.00 61.32 C ATOM 1045 C GLU A 69 -12.942 15.100 -10.978 1.00 72.10 C ATOM 1046 O GLU A 69 -13.220 16.223 -10.559 1.00 1.41 O ATOM 1047 CB GLU A 69 -13.606 14.220 -8.732 1.00 72.10 C ATOM 1048 CG GLU A 69 -12.851 15.149 -7.796 1.00 71.23 C ATOM 1049 CD GLU A 69 -13.776 16.009 -6.957 1.00 3.20 C ATOM 1050 OE1 GLU A 69 -14.421 16.914 -7.526 1.00 15.43 O ATOM 1051 OE2 GLU A 69 -13.853 15.778 -5.732 1.00 73.14 O ATOM 0 H GLU A 69 -10.828 14.376 -9.750 1.00 44.32 H new ATOM 0 HA GLU A 69 -13.313 13.047 -10.509 1.00 61.32 H new ATOM 0 HB2 GLU A 69 -14.567 14.670 -8.980 1.00 72.10 H new ATOM 0 HB3 GLU A 69 -13.816 13.286 -8.211 1.00 72.10 H new ATOM 0 HG2 GLU A 69 -12.215 14.557 -7.138 1.00 71.23 H new ATOM 0 HG3 GLU A 69 -12.194 15.792 -8.381 1.00 71.23 H new ATOM 1058 N SER A 70 -12.704 14.844 -12.261 1.00 10.35 N ATOM 1059 CA SER A 70 -12.753 15.894 -13.271 1.00 41.51 C ATOM 1060 C SER A 70 -14.137 15.971 -13.909 1.00 22.32 C ATOM 1061 O SER A 70 -14.682 14.963 -14.360 1.00 54.14 O ATOM 1062 CB SER A 70 -11.696 15.645 -14.348 1.00 64.42 C ATOM 1063 OG SER A 70 -11.012 16.841 -14.679 1.00 21.00 O ATOM 0 H SER A 70 -12.476 13.919 -12.625 1.00 10.35 H new ATOM 0 HA SER A 70 -12.545 16.845 -12.781 1.00 41.51 H new ATOM 0 HB2 SER A 70 -10.982 14.900 -13.996 1.00 64.42 H new ATOM 0 HB3 SER A 70 -12.171 15.235 -15.240 1.00 64.42 H new ATOM 0 HG SER A 70 -10.232 16.629 -15.233 1.00 21.00 H new ATOM 1069 N THR A 71 -14.701 17.174 -13.942 1.00 43.24 N ATOM 1070 CA THR A 71 -16.021 17.384 -14.523 1.00 61.20 C ATOM 1071 C THR A 71 -15.918 17.806 -15.984 1.00 53.31 C ATOM 1072 O THR A 71 -15.306 18.826 -16.305 1.00 12.14 O ATOM 1073 CB THR A 71 -16.813 18.452 -13.746 1.00 32.01 C ATOM 1074 OG1 THR A 71 -15.940 19.514 -13.344 1.00 73.33 O ATOM 1075 CG2 THR A 71 -17.480 17.846 -12.520 1.00 73.04 C ATOM 0 H THR A 71 -14.264 18.018 -13.573 1.00 43.24 H new ATOM 0 HA THR A 71 -16.549 16.433 -14.459 1.00 61.20 H new ATOM 0 HB THR A 71 -17.587 18.848 -14.403 1.00 32.01 H new ATOM 0 HG1 THR A 71 -16.452 20.190 -12.852 1.00 73.33 H new ATOM 0 HG21 THR A 71 -18.033 18.619 -11.987 1.00 73.04 H new ATOM 0 HG22 THR A 71 -18.166 17.058 -12.831 1.00 73.04 H new ATOM 0 HG23 THR A 71 -16.719 17.426 -11.862 1.00 73.04 H new ATOM 1083 N LEU A 72 -16.521 17.018 -16.867 1.00 20.42 N ATOM 1084 CA LEU A 72 -16.498 17.311 -18.296 1.00 31.33 C ATOM 1085 C LEU A 72 -17.891 17.172 -18.902 1.00 43.04 C ATOM 1086 O LEU A 72 -18.724 16.415 -18.404 1.00 31.14 O ATOM 1087 CB LEU A 72 -15.522 16.376 -19.012 1.00 42.45 C ATOM 1088 CG LEU A 72 -16.108 15.064 -19.534 1.00 15.15 C ATOM 1089 CD1 LEU A 72 -16.482 15.192 -21.002 1.00 44.12 C ATOM 1090 CD2 LEU A 72 -15.124 13.921 -19.329 1.00 14.50 C ATOM 0 H LEU A 72 -17.032 16.171 -16.619 1.00 20.42 H new ATOM 0 HA LEU A 72 -16.166 18.341 -18.426 1.00 31.33 H new ATOM 0 HB2 LEU A 72 -15.085 16.915 -19.853 1.00 42.45 H new ATOM 0 HB3 LEU A 72 -14.708 16.140 -18.327 1.00 42.45 H new ATOM 0 HG LEU A 72 -17.013 14.843 -18.969 1.00 15.15 H new ATOM 0 HD11 LEU A 72 -16.897 14.248 -21.355 1.00 44.12 H new ATOM 0 HD12 LEU A 72 -17.224 15.982 -21.121 1.00 44.12 H new ATOM 0 HD13 LEU A 72 -15.594 15.438 -21.584 1.00 44.12 H new ATOM 0 HD21 LEU A 72 -15.558 12.995 -19.706 1.00 14.50 H new ATOM 0 HD22 LEU A 72 -14.201 14.135 -19.867 1.00 14.50 H new ATOM 0 HD23 LEU A 72 -14.908 13.813 -18.266 1.00 14.50 H new ATOM 1102 N HIS A 73 -18.136 17.906 -19.983 1.00 2.51 N ATOM 1103 CA HIS A 73 -19.427 17.863 -20.660 1.00 0.20 C ATOM 1104 C HIS A 73 -19.386 16.905 -21.846 1.00 75.15 C ATOM 1105 O HIS A 73 -18.591 17.078 -22.771 1.00 10.01 O ATOM 1106 CB HIS A 73 -19.826 19.262 -21.132 1.00 60.43 C ATOM 1107 CG HIS A 73 -20.201 20.187 -20.016 1.00 32.43 C ATOM 1108 ND1 HIS A 73 -21.267 21.058 -20.087 1.00 14.14 N ATOM 1109 CD2 HIS A 73 -19.646 20.372 -18.795 1.00 73.31 C ATOM 1110 CE1 HIS A 73 -21.351 21.741 -18.959 1.00 30.45 C ATOM 1111 NE2 HIS A 73 -20.379 21.343 -18.158 1.00 20.43 N ATOM 0 H HIS A 73 -17.457 18.538 -20.409 1.00 2.51 H new ATOM 0 HA HIS A 73 -20.171 17.502 -19.950 1.00 0.20 H new ATOM 0 HB2 HIS A 73 -18.998 19.698 -21.691 1.00 60.43 H new ATOM 0 HB3 HIS A 73 -20.666 19.178 -21.821 1.00 60.43 H new ATOM 0 HD2 HIS A 73 -18.787 19.853 -18.396 1.00 73.31 H new ATOM 0 HE1 HIS A 73 -22.089 22.496 -18.731 1.00 30.45 H new ATOM 0 HE2 HIS A 73 -20.202 21.699 -17.219 1.00 20.43 H new ATOM 1119 N LEU A 74 -20.248 15.894 -21.814 1.00 3.02 N ATOM 1120 CA LEU A 74 -20.310 14.907 -22.886 1.00 51.13 C ATOM 1121 C LEU A 74 -21.574 15.089 -23.721 1.00 43.20 C ATOM 1122 O LEU A 74 -22.689 14.964 -23.214 1.00 63.43 O ATOM 1123 CB LEU A 74 -20.267 13.492 -22.307 1.00 34.00 C ATOM 1124 CG LEU A 74 -20.883 12.393 -23.174 1.00 15.15 C ATOM 1125 CD1 LEU A 74 -20.164 12.301 -24.510 1.00 61.11 C ATOM 1126 CD2 LEU A 74 -20.840 11.056 -22.449 1.00 73.51 C ATOM 0 H LEU A 74 -20.913 15.737 -21.057 1.00 3.02 H new ATOM 0 HA LEU A 74 -19.445 15.054 -23.532 1.00 51.13 H new ATOM 0 HB2 LEU A 74 -19.227 13.232 -22.111 1.00 34.00 H new ATOM 0 HB3 LEU A 74 -20.780 13.499 -21.345 1.00 34.00 H new ATOM 0 HG LEU A 74 -21.926 12.647 -23.364 1.00 15.15 H new ATOM 0 HD11 LEU A 74 -20.616 11.514 -25.113 1.00 61.11 H new ATOM 0 HD12 LEU A 74 -20.247 13.253 -25.034 1.00 61.11 H new ATOM 0 HD13 LEU A 74 -19.112 12.070 -24.342 1.00 61.11 H new ATOM 0 HD21 LEU A 74 -21.282 10.285 -23.080 1.00 73.51 H new ATOM 0 HD22 LEU A 74 -19.805 10.795 -22.229 1.00 73.51 H new ATOM 0 HD23 LEU A 74 -21.402 11.129 -21.518 1.00 73.51 H new ATOM 1138 N VAL A 75 -21.392 15.384 -25.004 1.00 63.14 N ATOM 1139 CA VAL A 75 -22.517 15.580 -25.911 1.00 22.12 C ATOM 1140 C VAL A 75 -22.567 14.483 -26.969 1.00 15.42 C ATOM 1141 O VAL A 75 -21.555 14.156 -27.589 1.00 3.40 O ATOM 1142 CB VAL A 75 -22.442 16.950 -26.610 1.00 42.14 C ATOM 1143 CG1 VAL A 75 -23.649 17.156 -27.513 1.00 22.31 C ATOM 1144 CG2 VAL A 75 -22.337 18.067 -25.583 1.00 54.22 C ATOM 0 H VAL A 75 -20.476 15.493 -25.439 1.00 63.14 H new ATOM 0 HA VAL A 75 -23.423 15.539 -25.306 1.00 22.12 H new ATOM 0 HB VAL A 75 -21.546 16.973 -27.231 1.00 42.14 H new ATOM 0 HG11 VAL A 75 -23.578 18.129 -27.998 1.00 22.31 H new ATOM 0 HG12 VAL A 75 -23.674 16.373 -28.271 1.00 22.31 H new ATOM 0 HG13 VAL A 75 -24.561 17.113 -26.917 1.00 22.31 H new ATOM 0 HG21 VAL A 75 -22.285 19.028 -26.095 1.00 54.22 H new ATOM 0 HG22 VAL A 75 -23.213 18.048 -24.934 1.00 54.22 H new ATOM 0 HG23 VAL A 75 -21.438 17.926 -24.983 1.00 54.22 H new ATOM 1154 N LEU A 76 -23.753 13.919 -27.171 1.00 63.30 N ATOM 1155 CA LEU A 76 -23.937 12.858 -28.155 1.00 61.05 C ATOM 1156 C LEU A 76 -24.901 13.295 -29.253 1.00 51.54 C ATOM 1157 O LEU A 76 -25.926 13.921 -28.980 1.00 61.23 O ATOM 1158 CB LEU A 76 -24.460 11.591 -27.477 1.00 63.40 C ATOM 1159 CG LEU A 76 -24.230 11.493 -25.968 1.00 41.35 C ATOM 1160 CD1 LEU A 76 -25.420 12.059 -25.210 1.00 12.04 C ATOM 1161 CD2 LEU A 76 -23.972 10.050 -25.560 1.00 42.23 C ATOM 0 H LEU A 76 -24.601 14.179 -26.667 1.00 63.30 H new ATOM 0 HA LEU A 76 -22.969 12.646 -28.609 1.00 61.05 H new ATOM 0 HB2 LEU A 76 -25.531 11.517 -27.667 1.00 63.40 H new ATOM 0 HB3 LEU A 76 -23.992 10.729 -27.952 1.00 63.40 H new ATOM 0 HG LEU A 76 -23.349 12.083 -25.715 1.00 41.35 H new ATOM 0 HD11 LEU A 76 -25.239 11.981 -24.138 1.00 12.04 H new ATOM 0 HD12 LEU A 76 -25.558 13.106 -25.479 1.00 12.04 H new ATOM 0 HD13 LEU A 76 -26.317 11.496 -25.468 1.00 12.04 H new ATOM 0 HD21 LEU A 76 -23.811 10.000 -24.483 1.00 42.23 H new ATOM 0 HD22 LEU A 76 -24.833 9.437 -25.827 1.00 42.23 H new ATOM 0 HD23 LEU A 76 -23.087 9.678 -26.077 1.00 42.23 H new ATOM 1173 N ARG A 77 -24.567 12.961 -30.495 1.00 62.33 N ATOM 1174 CA ARG A 77 -25.404 13.318 -31.634 1.00 44.15 C ATOM 1175 C ARG A 77 -26.520 12.297 -31.830 1.00 54.03 C ATOM 1176 O ARG A 77 -26.672 11.727 -32.912 1.00 34.14 O ATOM 1177 CB ARG A 77 -24.558 13.415 -32.905 1.00 64.34 C ATOM 1178 CG ARG A 77 -23.165 13.976 -32.669 1.00 21.41 C ATOM 1179 CD ARG A 77 -23.216 15.296 -31.916 1.00 34.31 C ATOM 1180 NE ARG A 77 -24.244 16.188 -32.445 1.00 74.12 N ATOM 1181 CZ ARG A 77 -24.098 16.900 -33.557 1.00 0.21 C ATOM 1182 NH1 ARG A 77 -22.972 16.825 -34.253 1.00 72.41 N ATOM 1183 NH2 ARG A 77 -25.079 17.690 -33.974 1.00 72.25 N ATOM 0 H ARG A 77 -23.722 12.444 -30.738 1.00 62.33 H new ATOM 0 HA ARG A 77 -25.855 14.289 -31.431 1.00 44.15 H new ATOM 0 HB2 ARG A 77 -24.471 12.424 -33.349 1.00 64.34 H new ATOM 0 HB3 ARG A 77 -25.076 14.044 -33.629 1.00 64.34 H new ATOM 0 HG2 ARG A 77 -22.573 13.256 -32.104 1.00 21.41 H new ATOM 0 HG3 ARG A 77 -22.663 14.121 -33.626 1.00 21.41 H new ATOM 0 HD2 ARG A 77 -23.410 15.104 -30.861 1.00 34.31 H new ATOM 0 HD3 ARG A 77 -22.244 15.786 -31.977 1.00 34.31 H new ATOM 0 HE ARG A 77 -25.122 16.269 -31.933 1.00 74.12 H new ATOM 0 HH11 ARG A 77 -22.215 16.220 -33.935 1.00 72.41 H new ATOM 0 HH12 ARG A 77 -22.863 17.373 -35.106 1.00 72.41 H new ATOM 0 HH21 ARG A 77 -25.946 17.751 -33.441 1.00 72.25 H new ATOM 0 HH22 ARG A 77 -24.966 18.236 -34.828 1.00 72.25 H new