USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.586 K(o=0.59,f=-1) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 120:sc= 0.914 USER MOD Set 3.1: A 7 THR OG1 : rot 137:sc= 2.33 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.739 USER MOD Single : A 1 MET CE :methyl -123:sc= -1.64 (180deg=-3.16!) USER MOD Single : A 1 MET N :NH3+ 162:sc= 2.39 (180deg=1.96) USER MOD Single : A 2 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 1.06 (180deg=0.0907!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 27 LYS NZ :NH3+ -110:sc= 0.754 (180deg=-1.78!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.17) USER MOD Single : A 40 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.077) USER MOD Single : A 41 GLN : amide:sc= -0.861 K(o=-0.86,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 55 THR OG1 : rot -55:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.727 USER MOD Single : A 60 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.76) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 105:sc= 1.14 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.074 -4.379 -4.149 1.00 0.78 N ATOM 2 CA MET A 1 12.790 -4.688 -2.730 1.00 0.70 C ATOM 3 C MET A 1 11.462 -5.320 -2.492 1.00 0.62 C ATOM 4 O MET A 1 10.509 -5.176 -3.255 1.00 0.68 O ATOM 5 CB MET A 1 12.956 -3.434 -1.857 1.00 0.75 C ATOM 6 CG MET A 1 11.743 -2.509 -1.732 1.00 0.79 C ATOM 7 SD MET A 1 12.156 -0.993 -0.818 1.00 1.10 S ATOM 8 CE MET A 1 10.514 -0.279 -0.519 1.00 0.84 C ATOM 0 H1 MET A 1 13.848 -3.686 -4.205 1.00 0.78 H new ATOM 0 H2 MET A 1 13.352 -5.250 -4.645 1.00 0.78 H new ATOM 0 H3 MET A 1 12.222 -3.983 -4.595 1.00 0.78 H new ATOM 0 HA MET A 1 13.528 -5.437 -2.442 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.243 -3.754 -0.855 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.787 -2.851 -2.255 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.378 -2.249 -2.726 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.934 -3.034 -1.223 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.474 0.728 -0.934 1.00 0.84 H new ATOM 0 HE2 MET A 1 9.755 -0.899 -0.997 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.325 -0.237 0.554 1.00 0.84 H new ATOM 20 N GLN A 2 11.234 -6.031 -1.373 1.00 0.59 N ATOM 21 CA GLN A 2 10.080 -6.854 -1.183 1.00 0.56 C ATOM 22 C GLN A 2 9.217 -6.175 -0.174 1.00 0.50 C ATOM 23 O GLN A 2 9.745 -5.740 0.847 1.00 0.60 O ATOM 24 CB GLN A 2 10.436 -8.274 -0.711 1.00 0.71 C ATOM 25 CG GLN A 2 9.286 -9.259 -0.494 1.00 1.15 C ATOM 26 CD GLN A 2 9.891 -10.642 -0.302 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.213 -11.242 -1.326 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.070 -11.068 0.977 1.00 1.72 N ATOM 0 H GLN A 2 11.871 -6.033 -0.577 1.00 0.59 H new ATOM 0 HA GLN A 2 9.565 -6.975 -2.136 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.118 -8.710 -1.442 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.986 -8.188 0.226 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.698 -8.974 0.379 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.610 -9.253 -1.349 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.763 -10.486 1.756 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.511 -11.970 1.157 1.00 1.72 H new ATOM 37 N ILE A 3 7.904 -5.977 -0.392 1.00 0.44 N ATOM 38 CA ILE A 3 6.940 -5.458 0.527 1.00 0.42 C ATOM 39 C ILE A 3 5.753 -6.356 0.609 1.00 0.40 C ATOM 40 O ILE A 3 5.520 -7.277 -0.173 1.00 0.50 O ATOM 41 CB ILE A 3 6.557 -4.028 0.292 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.864 -3.752 -1.053 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.692 -3.033 0.592 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.971 -2.512 -1.068 1.00 0.72 C ATOM 0 H ILE A 3 7.482 -6.201 -1.293 1.00 0.44 H new ATOM 0 HA ILE A 3 7.433 -5.443 1.499 1.00 0.42 H new ATOM 0 HB ILE A 3 5.783 -3.845 1.038 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.627 -3.643 -1.824 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.262 -4.620 -1.321 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.346 -2.017 0.400 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.989 -3.124 1.637 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.546 -3.252 -0.049 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.525 -2.397 -2.056 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.182 -2.623 -0.324 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.568 -1.631 -0.835 1.00 0.72 H new ATOM 56 N PHE A 4 4.989 -6.110 1.689 1.00 0.37 N ATOM 57 CA PHE A 4 3.792 -6.828 2.002 1.00 0.38 C ATOM 58 C PHE A 4 2.592 -5.958 2.146 1.00 0.39 C ATOM 59 O PHE A 4 2.606 -4.901 2.774 1.00 0.60 O ATOM 60 CB PHE A 4 3.758 -7.677 3.283 1.00 0.45 C ATOM 61 CG PHE A 4 4.948 -8.573 3.317 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.065 -9.569 2.374 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.891 -8.464 4.312 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.177 -10.379 2.352 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.003 -9.274 4.334 1.00 1.40 C ATOM 66 CZ PHE A 4 7.116 -10.221 3.343 1.00 0.85 C ATOM 0 H PHE A 4 5.213 -5.384 2.369 1.00 0.37 H new ATOM 0 HA PHE A 4 3.781 -7.482 1.130 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.751 -7.030 4.160 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.843 -8.269 3.316 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.280 -9.715 1.647 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.756 -7.728 5.091 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.308 -11.119 1.577 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.758 -9.170 5.100 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.980 -10.869 3.344 1.00 0.85 H new ATOM 76 N VAL A 5 1.513 -6.335 1.436 1.00 0.35 N ATOM 77 CA VAL A 5 0.273 -5.654 1.648 1.00 0.35 C ATOM 78 C VAL A 5 -0.683 -6.597 2.291 1.00 0.35 C ATOM 79 O VAL A 5 -1.111 -7.592 1.708 1.00 0.46 O ATOM 80 CB VAL A 5 -0.277 -5.098 0.368 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.651 -4.457 0.627 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.734 -4.122 -0.257 1.00 0.56 C ATOM 0 H VAL A 5 1.495 -7.082 0.741 1.00 0.35 H new ATOM 0 HA VAL A 5 0.437 -4.801 2.306 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.431 -5.899 -0.356 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -2.046 -4.055 -0.306 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.336 -5.210 1.017 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.546 -3.652 1.354 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.327 -3.722 -1.186 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.926 -3.303 0.437 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.666 -4.647 -0.465 1.00 0.56 H new ATOM 92 N LYS A 6 -1.165 -6.296 3.511 1.00 0.36 N ATOM 93 CA LYS A 6 -2.218 -7.002 4.173 1.00 0.39 C ATOM 94 C LYS A 6 -3.578 -6.474 3.869 1.00 0.46 C ATOM 95 O LYS A 6 -3.819 -5.268 3.820 1.00 0.53 O ATOM 96 CB LYS A 6 -1.972 -7.222 5.675 1.00 0.54 C ATOM 97 CG LYS A 6 -0.990 -8.334 6.050 1.00 1.22 C ATOM 98 CD LYS A 6 -0.992 -8.650 7.547 1.00 1.37 C ATOM 99 CE LYS A 6 0.004 -9.749 7.921 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.441 -11.091 7.484 1.00 2.09 N ATOM 0 H LYS A 6 -0.801 -5.520 4.063 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.195 -8.000 3.734 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.608 -6.287 6.102 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.929 -7.438 6.150 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.241 -9.237 5.493 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.015 -8.042 5.747 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.754 -7.745 8.105 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.994 -8.956 7.848 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.971 -9.526 7.471 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.148 -9.752 9.001 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.268 -11.799 7.761 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.351 -11.318 7.933 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.553 -11.100 6.450 1.00 2.09 H new ATOM 114 N THR A 7 -4.527 -7.380 3.576 1.00 0.58 N ATOM 115 CA THR A 7 -5.896 -7.070 3.300 1.00 0.78 C ATOM 116 C THR A 7 -6.807 -6.947 4.472 1.00 0.94 C ATOM 117 O THR A 7 -6.448 -7.319 5.589 1.00 0.99 O ATOM 118 CB THR A 7 -6.581 -8.049 2.393 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.710 -9.410 2.775 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.813 -8.016 1.060 1.00 0.92 C ATOM 0 H THR A 7 -4.330 -8.380 3.529 1.00 0.58 H new ATOM 0 HA THR A 7 -5.758 -6.094 2.835 1.00 0.78 H new ATOM 0 HB THR A 7 -7.616 -7.708 2.384 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.613 -9.725 2.562 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.271 -8.714 0.359 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.848 -7.009 0.645 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.775 -8.302 1.231 1.00 0.92 H new ATOM 128 N LEU A 8 -8.036 -6.421 4.319 1.00 1.17 N ATOM 129 CA LEU A 8 -8.957 -6.387 5.412 1.00 1.39 C ATOM 130 C LEU A 8 -9.401 -7.771 5.741 1.00 1.44 C ATOM 131 O LEU A 8 -9.561 -8.253 6.861 1.00 1.60 O ATOM 132 CB LEU A 8 -10.236 -5.568 5.169 1.00 1.66 C ATOM 133 CG LEU A 8 -9.981 -4.052 5.174 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.219 -3.506 4.442 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.833 -3.426 6.570 1.00 2.43 C ATOM 0 H LEU A 8 -8.389 -6.023 3.448 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.401 -5.906 6.216 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.670 -5.856 4.212 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.970 -5.811 5.938 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.027 -3.808 4.706 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.155 -2.420 4.380 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.262 -3.925 3.437 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.119 -3.786 4.990 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.656 -2.355 6.472 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.746 -3.592 7.142 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.992 -3.887 7.088 1.00 2.43 H new ATOM 147 N THR A 9 -9.652 -8.612 4.722 1.00 1.41 N ATOM 148 CA THR A 9 -9.989 -10.002 4.758 1.00 1.51 C ATOM 149 C THR A 9 -9.063 -10.953 5.435 1.00 1.37 C ATOM 150 O THR A 9 -9.442 -11.531 6.453 1.00 1.62 O ATOM 151 CB THR A 9 -10.406 -10.612 3.453 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.455 -10.193 2.485 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.815 -10.061 3.171 1.00 2.08 C ATOM 0 H THR A 9 -9.613 -8.274 3.760 1.00 1.41 H new ATOM 0 HA THR A 9 -10.852 -9.893 5.415 1.00 1.51 H new ATOM 0 HB THR A 9 -10.439 -11.701 3.447 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.688 -10.572 1.612 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.183 -10.467 2.229 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.488 -10.351 3.978 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.774 -8.974 3.106 1.00 2.08 H new ATOM 161 N GLY A 10 -7.801 -11.091 4.990 1.00 1.18 N ATOM 162 CA GLY A 10 -6.850 -11.951 5.622 1.00 1.22 C ATOM 163 C GLY A 10 -5.708 -12.297 4.730 1.00 0.99 C ATOM 164 O GLY A 10 -4.868 -13.105 5.123 1.00 1.31 O ATOM 0 H GLY A 10 -7.435 -10.596 4.177 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.470 -11.467 6.522 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.349 -12.867 5.939 1.00 1.22 H new ATOM 168 N LYS A 11 -5.562 -11.727 3.520 1.00 0.73 N ATOM 169 CA LYS A 11 -4.566 -12.060 2.549 1.00 0.60 C ATOM 170 C LYS A 11 -3.409 -11.129 2.674 1.00 0.51 C ATOM 171 O LYS A 11 -3.587 -9.940 2.940 1.00 0.63 O ATOM 172 CB LYS A 11 -5.109 -11.924 1.117 1.00 0.75 C ATOM 173 CG LYS A 11 -4.428 -12.959 0.220 1.00 0.87 C ATOM 174 CD LYS A 11 -5.110 -12.945 -1.150 1.00 1.04 C ATOM 175 CE LYS A 11 -4.935 -11.597 -1.852 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.866 -11.538 -3.001 1.00 1.40 N ATOM 0 H LYS A 11 -6.182 -10.983 3.200 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.268 -13.092 2.733 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.189 -12.073 1.109 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.923 -10.919 0.739 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.367 -12.730 0.117 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.498 -13.951 0.667 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.694 -13.737 -1.773 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.172 -13.159 -1.031 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.138 -10.781 -1.159 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.906 -11.479 -2.192 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.362 -11.181 -3.838 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.234 -12.490 -3.199 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.656 -10.901 -2.775 1.00 1.40 H new ATOM 190 N THR A 12 -2.194 -11.673 2.481 1.00 0.49 N ATOM 191 CA THR A 12 -0.976 -10.924 2.447 1.00 0.48 C ATOM 192 C THR A 12 -0.470 -10.997 1.048 1.00 0.52 C ATOM 193 O THR A 12 -0.190 -12.072 0.522 1.00 0.72 O ATOM 194 CB THR A 12 -0.027 -11.561 3.419 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.634 -11.490 4.701 1.00 0.77 O ATOM 196 CG2 THR A 12 1.282 -10.762 3.541 1.00 0.78 C ATOM 0 H THR A 12 -2.055 -12.674 2.343 1.00 0.49 H new ATOM 0 HA THR A 12 -1.102 -9.878 2.728 1.00 0.48 H new ATOM 0 HB THR A 12 0.186 -12.574 3.078 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.757 -12.395 5.055 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.944 -11.254 4.254 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.770 -10.712 2.568 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.061 -9.753 3.888 1.00 0.78 H new ATOM 204 N ILE A 13 -0.299 -9.843 0.376 1.00 0.48 N ATOM 205 CA ILE A 13 0.133 -9.762 -0.985 1.00 0.55 C ATOM 206 C ILE A 13 1.576 -9.389 -0.961 1.00 0.51 C ATOM 207 O ILE A 13 1.870 -8.373 -0.332 1.00 0.56 O ATOM 208 CB ILE A 13 -0.535 -8.662 -1.756 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.064 -8.612 -1.595 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.208 -8.869 -3.244 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.744 -7.441 -2.303 1.00 1.55 C ATOM 0 H ILE A 13 -0.469 -8.930 0.799 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.095 -10.719 -1.454 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.156 -7.719 -1.362 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.486 -9.543 -1.975 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.302 -8.564 -0.532 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.681 -8.083 -3.833 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.872 -8.831 -3.388 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.583 -9.840 -3.567 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.820 -7.489 -2.134 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.356 -6.502 -1.908 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.542 -7.496 -3.373 1.00 1.55 H new ATOM 223 N THR A 14 2.460 -10.186 -1.587 1.00 0.55 N ATOM 224 CA THR A 14 3.841 -9.821 -1.668 1.00 0.54 C ATOM 225 C THR A 14 4.112 -9.026 -2.899 1.00 0.55 C ATOM 226 O THR A 14 3.885 -9.496 -4.012 1.00 0.72 O ATOM 227 CB THR A 14 4.656 -11.076 -1.768 1.00 0.67 C ATOM 228 OG1 THR A 14 4.268 -11.851 -0.643 1.00 1.08 O ATOM 229 CG2 THR A 14 6.155 -10.769 -1.611 1.00 1.03 C ATOM 0 H THR A 14 2.223 -11.073 -2.032 1.00 0.55 H new ATOM 0 HA THR A 14 4.094 -9.232 -0.786 1.00 0.54 H new ATOM 0 HB THR A 14 4.498 -11.566 -2.729 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.763 -12.697 -0.642 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.726 -11.694 -1.687 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.470 -10.083 -2.397 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.333 -10.312 -0.638 1.00 1.03 H new ATOM 237 N LEU A 15 4.592 -7.783 -2.709 1.00 0.50 N ATOM 238 CA LEU A 15 4.923 -6.917 -3.796 1.00 0.55 C ATOM 239 C LEU A 15 6.376 -6.626 -3.961 1.00 0.52 C ATOM 240 O LEU A 15 7.126 -6.378 -3.018 1.00 0.58 O ATOM 241 CB LEU A 15 4.108 -5.615 -3.873 1.00 0.69 C ATOM 242 CG LEU A 15 2.592 -5.878 -3.882 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.853 -4.547 -3.670 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.040 -6.597 -5.124 1.00 1.55 C ATOM 0 H LEU A 15 4.752 -7.375 -1.788 1.00 0.50 H new ATOM 0 HA LEU A 15 4.622 -7.532 -4.644 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.360 -4.980 -3.024 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.385 -5.067 -4.774 1.00 0.69 H new ATOM 0 HG LEU A 15 2.413 -6.578 -3.066 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.777 -4.723 -3.675 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.146 -4.117 -2.712 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.111 -3.856 -4.472 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.963 -6.728 -5.020 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.249 -6.001 -6.012 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.517 -7.572 -5.222 1.00 1.55 H new ATOM 256 N GLU A 16 6.843 -6.648 -5.221 1.00 0.59 N ATOM 257 CA GLU A 16 8.123 -6.096 -5.547 1.00 0.63 C ATOM 258 C GLU A 16 8.181 -4.669 -5.967 1.00 0.65 C ATOM 259 O GLU A 16 7.400 -4.313 -6.849 1.00 0.81 O ATOM 260 CB GLU A 16 8.704 -6.959 -6.679 1.00 0.76 C ATOM 261 CG GLU A 16 8.996 -8.416 -6.318 1.00 1.41 C ATOM 262 CD GLU A 16 9.737 -9.196 -7.395 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.948 -9.650 -8.266 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.966 -9.463 -7.462 1.00 1.92 O ATOM 0 H GLU A 16 6.338 -7.046 -6.013 1.00 0.59 H new ATOM 0 HA GLU A 16 8.686 -6.110 -4.614 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.007 -6.944 -7.517 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.629 -6.497 -7.025 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.584 -8.439 -5.401 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.053 -8.920 -6.105 1.00 1.41 H new ATOM 271 N VAL A 17 8.906 -3.794 -5.248 1.00 0.61 N ATOM 272 CA VAL A 17 8.864 -2.411 -5.612 1.00 0.63 C ATOM 273 C VAL A 17 10.302 -2.062 -5.433 1.00 0.65 C ATOM 274 O VAL A 17 11.048 -2.906 -4.939 1.00 0.76 O ATOM 275 CB VAL A 17 8.032 -1.537 -4.723 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.568 -1.839 -5.083 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.302 -1.682 -3.216 1.00 0.92 C ATOM 0 H VAL A 17 9.497 -4.027 -4.450 1.00 0.61 H new ATOM 0 HA VAL A 17 8.418 -2.259 -6.595 1.00 0.63 H new ATOM 0 HB VAL A 17 8.296 -0.495 -4.905 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.908 -1.230 -4.465 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.397 -1.608 -6.134 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.360 -2.894 -4.905 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.649 -1.007 -2.663 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.106 -2.709 -2.909 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.342 -1.433 -3.007 1.00 0.92 H new ATOM 287 N GLU A 18 10.837 -0.842 -5.612 1.00 0.68 N ATOM 288 CA GLU A 18 12.108 -0.380 -5.146 1.00 0.74 C ATOM 289 C GLU A 18 11.789 0.823 -4.327 1.00 0.71 C ATOM 290 O GLU A 18 10.690 1.342 -4.512 1.00 0.74 O ATOM 291 CB GLU A 18 13.121 -0.171 -6.285 1.00 0.88 C ATOM 292 CG GLU A 18 13.983 -1.406 -6.554 1.00 1.16 C ATOM 293 CD GLU A 18 15.092 -1.607 -5.531 1.00 1.71 C ATOM 294 OE1 GLU A 18 16.114 -0.903 -5.751 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.954 -2.307 -4.492 1.00 2.35 O ATOM 0 H GLU A 18 10.337 -0.118 -6.127 1.00 0.68 H new ATOM 0 HA GLU A 18 12.634 -1.114 -4.535 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.585 0.096 -7.196 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.769 0.670 -6.038 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.345 -2.290 -6.564 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.426 -1.321 -7.546 1.00 1.16 H new ATOM 302 N PRO A 19 12.533 1.375 -3.415 1.00 0.74 N ATOM 303 CA PRO A 19 12.124 2.451 -2.559 1.00 0.74 C ATOM 304 C PRO A 19 11.955 3.738 -3.290 1.00 0.70 C ATOM 305 O PRO A 19 11.383 4.687 -2.754 1.00 0.74 O ATOM 306 CB PRO A 19 13.197 2.535 -1.476 1.00 0.86 C ATOM 307 CG PRO A 19 14.499 2.183 -2.211 1.00 0.95 C ATOM 308 CD PRO A 19 13.930 1.090 -3.129 1.00 0.82 C ATOM 0 HA PRO A 19 11.139 2.261 -2.133 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.244 3.532 -1.038 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.998 1.838 -0.662 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.919 3.025 -2.761 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.279 1.816 -1.544 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.500 1.046 -4.057 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.023 0.115 -2.651 1.00 0.82 H new ATOM 316 N SER A 20 12.342 3.813 -4.576 1.00 0.70 N ATOM 317 CA SER A 20 12.126 4.873 -5.511 1.00 0.74 C ATOM 318 C SER A 20 10.774 4.879 -6.138 1.00 0.71 C ATOM 319 O SER A 20 10.326 5.835 -6.769 1.00 0.80 O ATOM 320 CB SER A 20 13.321 4.940 -6.477 1.00 0.89 C ATOM 321 OG SER A 20 13.651 3.659 -6.993 1.00 1.45 O ATOM 0 H SER A 20 12.862 3.047 -5.003 1.00 0.70 H new ATOM 0 HA SER A 20 12.098 5.820 -4.972 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.086 5.615 -7.300 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.185 5.357 -5.959 1.00 0.89 H new ATOM 0 HG SER A 20 14.413 3.739 -7.604 1.00 1.45 H new ATOM 327 N ASP A 21 9.969 3.832 -5.883 1.00 0.70 N ATOM 328 CA ASP A 21 8.623 3.778 -6.362 1.00 0.73 C ATOM 329 C ASP A 21 7.723 4.524 -5.438 1.00 0.64 C ATOM 330 O ASP A 21 7.937 4.620 -4.230 1.00 0.66 O ATOM 331 CB ASP A 21 8.111 2.328 -6.406 1.00 0.87 C ATOM 332 CG ASP A 21 8.649 1.697 -7.682 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.033 1.963 -8.750 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.589 0.859 -7.648 1.00 1.69 O ATOM 0 H ASP A 21 10.254 3.017 -5.340 1.00 0.70 H new ATOM 0 HA ASP A 21 8.618 4.214 -7.361 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.450 1.774 -5.531 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.021 2.305 -6.396 1.00 0.87 H new ATOM 339 N THR A 22 6.711 5.165 -6.050 1.00 0.63 N ATOM 340 CA THR A 22 5.670 5.883 -5.382 1.00 0.58 C ATOM 341 C THR A 22 4.595 5.103 -4.708 1.00 0.53 C ATOM 342 O THR A 22 4.281 3.985 -5.115 1.00 0.58 O ATOM 343 CB THR A 22 5.167 7.055 -6.173 1.00 0.63 C ATOM 344 OG1 THR A 22 4.761 6.658 -7.475 1.00 0.70 O ATOM 345 CG2 THR A 22 6.130 8.252 -6.262 1.00 0.75 C ATOM 0 H THR A 22 6.614 5.183 -7.065 1.00 0.63 H new ATOM 0 HA THR A 22 6.198 6.276 -4.513 1.00 0.58 H new ATOM 0 HB THR A 22 4.309 7.414 -5.605 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.436 7.440 -7.969 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.672 9.044 -6.854 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.341 8.624 -5.260 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.060 7.937 -6.735 1.00 0.75 H new ATOM 353 N ILE A 23 3.915 5.645 -3.682 1.00 0.51 N ATOM 354 CA ILE A 23 2.754 5.111 -3.039 1.00 0.48 C ATOM 355 C ILE A 23 1.603 4.894 -3.961 1.00 0.48 C ATOM 356 O ILE A 23 0.852 3.947 -3.735 1.00 0.51 O ATOM 357 CB ILE A 23 2.360 5.976 -1.880 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.454 6.155 -0.813 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.025 5.624 -1.203 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.163 4.953 -0.194 1.00 0.73 C ATOM 0 H ILE A 23 4.203 6.532 -3.268 1.00 0.51 H new ATOM 0 HA ILE A 23 3.029 4.121 -2.676 1.00 0.48 H new ATOM 0 HB ILE A 23 2.213 6.933 -2.380 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.226 6.787 -1.252 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.009 6.718 0.007 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.842 6.314 -0.379 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.216 5.704 -1.930 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.069 4.605 -0.820 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.897 5.299 0.534 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.432 4.315 0.303 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.667 4.386 -0.976 1.00 0.73 H new ATOM 372 N GLU A 24 1.459 5.686 -5.038 1.00 0.50 N ATOM 373 CA GLU A 24 0.592 5.503 -6.161 1.00 0.53 C ATOM 374 C GLU A 24 0.987 4.299 -6.944 1.00 0.50 C ATOM 375 O GLU A 24 0.080 3.664 -7.479 1.00 0.55 O ATOM 376 CB GLU A 24 0.723 6.773 -7.020 1.00 0.64 C ATOM 377 CG GLU A 24 -0.330 6.923 -8.121 1.00 0.95 C ATOM 378 CD GLU A 24 -0.317 8.357 -8.632 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.780 8.975 -8.669 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.368 8.904 -9.061 1.00 1.62 O ATOM 0 H GLU A 24 2.007 6.541 -5.129 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.438 5.347 -5.839 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.668 7.643 -6.366 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.711 6.782 -7.480 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.122 6.231 -8.937 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.317 6.671 -7.734 1.00 0.95 H new ATOM 387 N ASN A 25 2.277 3.928 -7.038 1.00 0.51 N ATOM 388 CA ASN A 25 2.777 2.796 -7.752 1.00 0.52 C ATOM 389 C ASN A 25 2.446 1.520 -7.056 1.00 0.47 C ATOM 390 O ASN A 25 2.250 0.473 -7.672 1.00 0.53 O ATOM 391 CB ASN A 25 4.291 2.766 -8.030 1.00 0.64 C ATOM 392 CG ASN A 25 4.767 3.868 -8.964 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.968 4.525 -9.630 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.112 3.967 -9.138 1.00 1.57 N ATOM 0 H ASN A 25 3.021 4.457 -6.583 1.00 0.51 H new ATOM 0 HA ASN A 25 2.274 2.898 -8.714 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.826 2.848 -7.084 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.552 1.800 -8.461 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.490 4.603 -9.840 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.743 3.405 -8.566 1.00 1.57 H new ATOM 401 N VAL A 26 2.310 1.543 -5.718 1.00 0.45 N ATOM 402 CA VAL A 26 1.798 0.571 -4.803 1.00 0.44 C ATOM 403 C VAL A 26 0.360 0.293 -5.083 1.00 0.40 C ATOM 404 O VAL A 26 0.052 -0.833 -5.468 1.00 0.44 O ATOM 405 CB VAL A 26 2.124 0.880 -3.372 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.571 -0.203 -2.431 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.657 0.763 -3.335 1.00 0.62 C ATOM 0 H VAL A 26 2.607 2.374 -5.207 1.00 0.45 H new ATOM 0 HA VAL A 26 2.321 -0.370 -4.973 1.00 0.44 H new ATOM 0 HB VAL A 26 1.715 1.842 -3.062 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.822 0.047 -1.400 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.488 -0.258 -2.537 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.010 -1.167 -2.688 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.013 0.971 -2.326 1.00 0.62 H new ATOM 0 HG22 VAL A 26 3.952 -0.246 -3.624 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.094 1.481 -4.029 1.00 0.62 H new ATOM 417 N LYS A 27 -0.473 1.341 -5.200 1.00 0.40 N ATOM 418 CA LYS A 27 -1.833 1.170 -5.612 1.00 0.41 C ATOM 419 C LYS A 27 -2.023 0.763 -7.032 1.00 0.38 C ATOM 420 O LYS A 27 -2.947 0.034 -7.388 1.00 0.42 O ATOM 421 CB LYS A 27 -2.570 2.492 -5.338 1.00 0.51 C ATOM 422 CG LYS A 27 -2.538 3.153 -3.959 1.00 0.76 C ATOM 423 CD LYS A 27 -3.173 4.545 -3.930 1.00 0.82 C ATOM 424 CE LYS A 27 -3.259 5.146 -2.525 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.981 6.437 -2.565 1.00 1.11 N ATOM 0 H LYS A 27 -0.206 2.307 -5.010 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.238 0.337 -5.037 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.185 3.223 -6.049 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.619 2.328 -5.587 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -3.057 2.512 -3.246 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.503 3.228 -3.626 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.595 5.213 -4.568 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.175 4.488 -4.354 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.772 4.455 -1.857 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.257 5.294 -2.123 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.314 7.214 -2.383 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.413 6.564 -3.502 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.724 6.442 -1.838 1.00 1.11 H new ATOM 439 N ALA A 28 -1.071 1.133 -7.908 1.00 0.39 N ATOM 440 CA ALA A 28 -1.096 0.851 -9.310 1.00 0.39 C ATOM 441 C ALA A 28 -0.817 -0.597 -9.527 1.00 0.36 C ATOM 442 O ALA A 28 -1.354 -1.204 -10.452 1.00 0.42 O ATOM 443 CB ALA A 28 0.027 1.500 -10.137 1.00 0.51 C ATOM 0 H ALA A 28 -0.242 1.655 -7.623 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.074 1.220 -9.621 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.086 1.222 -11.185 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.031 2.584 -10.041 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.994 1.154 -9.772 1.00 0.51 H new ATOM 449 N LYS A 29 0.109 -1.217 -8.774 1.00 0.39 N ATOM 450 CA LYS A 29 0.398 -2.613 -8.660 1.00 0.43 C ATOM 451 C LYS A 29 -0.716 -3.380 -8.031 1.00 0.44 C ATOM 452 O LYS A 29 -0.987 -4.524 -8.390 1.00 0.54 O ATOM 453 CB LYS A 29 1.675 -2.862 -7.840 1.00 0.54 C ATOM 454 CG LYS A 29 2.974 -2.511 -8.568 1.00 0.65 C ATOM 455 CD LYS A 29 3.409 -3.464 -9.683 1.00 1.08 C ATOM 456 CE LYS A 29 4.606 -2.966 -10.496 1.00 1.24 C ATOM 457 NZ LYS A 29 4.900 -3.874 -11.628 1.00 1.44 N ATOM 0 H LYS A 29 0.727 -0.670 -8.175 1.00 0.39 H new ATOM 0 HA LYS A 29 0.537 -2.964 -9.683 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.620 -2.280 -6.920 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.707 -3.913 -7.551 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.868 -1.513 -8.994 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.775 -2.459 -7.831 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.658 -4.430 -9.244 1.00 1.08 H new ATOM 0 HD3 LYS A 29 2.568 -3.627 -10.357 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.401 -1.964 -10.874 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.481 -2.890 -9.851 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.716 -3.511 -12.161 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.119 -4.823 -11.264 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.072 -3.926 -12.255 1.00 1.44 H new ATOM 471 N ILE A 30 -1.407 -2.870 -6.997 1.00 0.41 N ATOM 472 CA ILE A 30 -2.612 -3.467 -6.510 1.00 0.44 C ATOM 473 C ILE A 30 -3.741 -3.478 -7.482 1.00 0.45 C ATOM 474 O ILE A 30 -4.545 -4.406 -7.549 1.00 0.56 O ATOM 475 CB ILE A 30 -3.071 -2.938 -5.184 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.973 -3.222 -4.143 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.393 -3.554 -4.697 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.264 -2.683 -2.743 1.00 1.32 C ATOM 0 H ILE A 30 -1.126 -2.030 -6.491 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.311 -4.504 -6.362 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.253 -1.870 -5.308 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.823 -4.300 -4.078 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.036 -2.790 -4.496 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.662 -3.123 -3.732 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.181 -3.343 -5.420 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.275 -4.633 -4.593 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.436 -2.930 -2.079 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.383 -1.600 -2.787 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.181 -3.133 -2.363 1.00 1.32 H new ATOM 490 N GLN A 31 -3.806 -2.471 -8.372 1.00 0.41 N ATOM 491 CA GLN A 31 -4.745 -2.386 -9.448 1.00 0.48 C ATOM 492 C GLN A 31 -4.493 -3.492 -10.415 1.00 0.52 C ATOM 493 O GLN A 31 -5.382 -4.308 -10.655 1.00 0.66 O ATOM 494 CB GLN A 31 -4.748 -1.081 -10.261 1.00 0.52 C ATOM 495 CG GLN A 31 -5.782 -0.928 -11.380 1.00 0.70 C ATOM 496 CD GLN A 31 -5.393 0.290 -12.206 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.953 1.350 -11.930 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.441 0.163 -13.169 1.00 1.43 N ATOM 0 H GLN A 31 -3.170 -1.674 -8.339 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.712 -2.442 -8.948 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.887 -0.255 -9.564 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.759 -0.962 -10.703 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.806 -1.822 -12.004 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.781 -0.804 -10.963 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.015 -0.746 -13.348 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.153 0.977 -13.712 1.00 1.43 H new ATOM 507 N ASP A 32 -3.307 -3.577 -11.042 1.00 0.50 N ATOM 508 CA ASP A 32 -2.825 -4.637 -11.872 1.00 0.60 C ATOM 509 C ASP A 32 -2.996 -6.045 -11.415 1.00 0.65 C ATOM 510 O ASP A 32 -3.308 -6.937 -12.203 1.00 0.81 O ATOM 511 CB ASP A 32 -1.351 -4.244 -12.070 1.00 0.67 C ATOM 512 CG ASP A 32 -0.681 -4.952 -13.240 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.084 -4.694 -14.405 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.293 -5.685 -12.921 1.00 1.51 O ATOM 0 H ASP A 32 -2.619 -2.828 -10.958 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.429 -4.699 -12.777 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.289 -3.167 -12.225 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.799 -4.467 -11.157 1.00 0.67 H new ATOM 519 N LYS A 33 -2.810 -6.319 -10.112 1.00 0.62 N ATOM 520 CA LYS A 33 -2.768 -7.594 -9.466 1.00 0.73 C ATOM 521 C LYS A 33 -4.151 -7.911 -9.011 1.00 0.69 C ATOM 522 O LYS A 33 -4.800 -8.847 -9.476 1.00 0.83 O ATOM 523 CB LYS A 33 -1.820 -7.548 -8.255 1.00 0.85 C ATOM 524 CG LYS A 33 -1.315 -8.925 -7.820 1.00 1.31 C ATOM 525 CD LYS A 33 -2.352 -9.817 -7.133 1.00 1.71 C ATOM 526 CE LYS A 33 -1.780 -10.874 -6.186 1.00 2.26 C ATOM 527 NZ LYS A 33 -2.874 -11.679 -5.601 1.00 2.62 N ATOM 0 H LYS A 33 -2.675 -5.563 -9.441 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.401 -8.355 -10.154 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.965 -6.917 -8.497 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.336 -7.078 -7.418 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.935 -9.448 -8.698 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.473 -8.787 -7.142 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -3.038 -9.183 -6.571 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -2.940 -10.320 -7.901 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -1.090 -11.522 -6.726 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -1.209 -10.392 -5.393 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 -2.523 -12.186 -4.763 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -3.656 -11.052 -5.324 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -3.214 -12.366 -6.304 1.00 2.62 H new ATOM 541 N GLU A 34 -4.758 -7.135 -8.095 1.00 0.63 N ATOM 542 CA GLU A 34 -5.981 -7.510 -7.459 1.00 0.67 C ATOM 543 C GLU A 34 -7.224 -7.008 -8.110 1.00 0.69 C ATOM 544 O GLU A 34 -8.288 -7.571 -7.858 1.00 0.95 O ATOM 545 CB GLU A 34 -6.028 -6.969 -6.020 1.00 0.73 C ATOM 546 CG GLU A 34 -4.917 -7.384 -5.052 1.00 0.83 C ATOM 547 CD GLU A 34 -5.291 -8.695 -4.376 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.243 -8.805 -3.560 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.642 -9.744 -4.631 1.00 1.48 O ATOM 0 H GLU A 34 -4.393 -6.232 -7.791 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.971 -8.598 -7.520 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.032 -5.880 -6.074 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.980 -7.270 -5.582 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.976 -7.496 -5.590 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.765 -6.607 -4.303 1.00 0.83 H new ATOM 556 N GLY A 35 -7.184 -5.988 -8.985 1.00 0.63 N ATOM 557 CA GLY A 35 -8.296 -5.580 -9.785 1.00 0.68 C ATOM 558 C GLY A 35 -8.967 -4.428 -9.119 1.00 0.76 C ATOM 559 O GLY A 35 -9.848 -3.832 -9.737 1.00 1.12 O ATOM 0 H GLY A 35 -6.347 -5.427 -9.141 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.960 -5.296 -10.782 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.997 -6.406 -9.908 1.00 0.68 H new ATOM 563 N ILE A 36 -8.499 -4.072 -7.910 1.00 0.70 N ATOM 564 CA ILE A 36 -9.048 -3.039 -7.088 1.00 0.76 C ATOM 565 C ILE A 36 -8.709 -1.673 -7.575 1.00 0.71 C ATOM 566 O ILE A 36 -7.588 -1.387 -7.992 1.00 0.73 O ATOM 567 CB ILE A 36 -8.533 -3.070 -5.679 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.611 -4.484 -5.079 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.305 -2.102 -4.767 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.498 -4.593 -3.558 1.00 1.16 C ATOM 0 H ILE A 36 -7.694 -4.530 -7.483 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.120 -3.234 -7.130 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.490 -2.757 -5.730 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.558 -4.930 -5.382 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.818 -5.086 -5.523 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.901 -2.155 -3.756 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.203 -1.085 -5.146 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.359 -2.379 -4.752 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.568 -5.640 -3.262 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.539 -4.187 -3.234 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.306 -4.030 -3.092 1.00 1.16 H new ATOM 582 N PRO A 37 -9.656 -0.785 -7.637 1.00 0.75 N ATOM 583 CA PRO A 37 -9.318 0.515 -8.137 1.00 0.79 C ATOM 584 C PRO A 37 -8.569 1.396 -7.197 1.00 0.75 C ATOM 585 O PRO A 37 -8.967 1.344 -6.034 1.00 0.75 O ATOM 586 CB PRO A 37 -10.672 1.209 -8.257 1.00 0.95 C ATOM 587 CG PRO A 37 -11.570 0.072 -8.771 1.00 1.02 C ATOM 588 CD PRO A 37 -11.017 -1.143 -8.009 1.00 0.85 C ATOM 0 HA PRO A 37 -8.705 0.378 -9.028 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -11.016 1.600 -7.299 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.640 2.049 -8.951 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.622 0.250 -8.547 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.491 -0.053 -9.851 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.620 -1.361 -7.127 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.031 -2.037 -8.633 1.00 0.85 H new ATOM 596 N PRO A 38 -7.564 2.168 -7.487 1.00 0.81 N ATOM 597 CA PRO A 38 -6.756 2.888 -6.547 1.00 0.85 C ATOM 598 C PRO A 38 -7.393 3.964 -5.737 1.00 0.89 C ATOM 599 O PRO A 38 -6.841 4.319 -4.697 1.00 0.99 O ATOM 600 CB PRO A 38 -5.763 3.583 -7.476 1.00 1.01 C ATOM 601 CG PRO A 38 -5.522 2.644 -8.668 1.00 1.25 C ATOM 602 CD PRO A 38 -6.890 1.947 -8.757 1.00 0.98 C ATOM 0 HA PRO A 38 -6.400 2.184 -5.795 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.158 4.541 -7.815 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.829 3.790 -6.955 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.273 3.187 -9.580 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.710 1.941 -8.484 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.477 2.353 -9.581 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.768 0.881 -8.948 1.00 0.98 H new ATOM 610 N ASP A 39 -8.484 4.490 -6.321 1.00 0.96 N ATOM 611 CA ASP A 39 -9.345 5.436 -5.682 1.00 1.11 C ATOM 612 C ASP A 39 -9.922 5.020 -4.373 1.00 1.00 C ATOM 613 O ASP A 39 -9.942 5.809 -3.430 1.00 1.14 O ATOM 614 CB ASP A 39 -10.445 5.822 -6.685 1.00 1.39 C ATOM 615 CG ASP A 39 -11.105 7.142 -6.313 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.336 7.991 -5.789 1.00 2.25 O ATOM 617 OD2 ASP A 39 -12.350 7.296 -6.426 1.00 2.23 O ATOM 0 H ASP A 39 -8.776 4.249 -7.268 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.725 6.290 -5.409 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.016 5.898 -7.684 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.198 5.035 -6.720 1.00 1.39 H new ATOM 622 N GLN A 40 -10.227 3.713 -4.295 1.00 0.87 N ATOM 623 CA GLN A 40 -10.812 3.052 -3.171 1.00 0.84 C ATOM 624 C GLN A 40 -9.766 2.766 -2.149 1.00 0.67 C ATOM 625 O GLN A 40 -10.086 2.558 -0.980 1.00 0.80 O ATOM 626 CB GLN A 40 -11.458 1.746 -3.665 1.00 0.95 C ATOM 627 CG GLN A 40 -12.553 1.908 -4.720 1.00 1.32 C ATOM 628 CD GLN A 40 -13.284 0.596 -4.966 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.986 -0.537 -4.591 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.460 0.795 -5.620 1.00 2.02 N ATOM 0 H GLN A 40 -10.052 3.075 -5.071 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.569 3.685 -2.709 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.676 1.107 -4.075 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.880 1.223 -2.807 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.264 2.667 -4.395 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.113 2.262 -5.652 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.716 1.731 -5.935 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.085 0.009 -5.795 1.00 2.02 H new ATOM 639 N GLN A 41 -8.484 2.925 -2.524 1.00 0.56 N ATOM 640 CA GLN A 41 -7.395 2.469 -1.717 1.00 0.51 C ATOM 641 C GLN A 41 -6.866 3.368 -0.654 1.00 0.49 C ATOM 642 O GLN A 41 -6.480 4.490 -0.978 1.00 0.65 O ATOM 643 CB GLN A 41 -6.254 1.923 -2.592 1.00 0.67 C ATOM 644 CG GLN A 41 -6.772 0.719 -3.380 1.00 0.69 C ATOM 645 CD GLN A 41 -5.630 0.237 -4.263 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.476 0.251 -3.837 1.00 0.66 O ATOM 647 NE2 GLN A 41 -6.032 -0.315 -5.439 1.00 0.61 N ATOM 0 H GLN A 41 -8.200 3.374 -3.395 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.863 1.677 -1.132 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.898 2.696 -3.274 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.408 1.632 -1.970 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.097 -0.072 -2.705 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.635 0.997 -3.984 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -7.015 -0.278 -5.710 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -5.351 -0.766 -6.050 1.00 0.61 H new ATOM 656 N ARG A 42 -6.864 2.969 0.631 1.00 0.47 N ATOM 657 CA ARG A 42 -6.230 3.716 1.673 1.00 0.55 C ATOM 658 C ARG A 42 -5.021 3.019 2.192 1.00 0.46 C ATOM 659 O ARG A 42 -5.180 1.958 2.793 1.00 0.52 O ATOM 660 CB ARG A 42 -7.247 4.107 2.759 1.00 0.73 C ATOM 661 CG ARG A 42 -6.824 5.260 3.673 1.00 1.04 C ATOM 662 CD ARG A 42 -7.609 5.356 4.982 1.00 1.28 C ATOM 663 NE ARG A 42 -9.052 5.506 4.643 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.066 4.843 5.271 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.898 4.216 6.472 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.334 5.129 4.851 1.00 2.78 N ATOM 0 H ARG A 42 -7.312 2.111 0.952 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.858 4.653 1.258 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.185 4.376 2.274 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.448 3.232 3.377 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.765 5.151 3.907 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.935 6.198 3.128 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.451 4.464 5.588 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.265 6.206 5.571 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.299 6.148 3.890 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.988 4.232 6.933 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.682 3.731 6.908 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.483 5.808 4.104 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.132 4.664 5.284 1.00 2.78 H new ATOM 680 N LEU A 43 -3.764 3.457 1.993 1.00 0.46 N ATOM 681 CA LEU A 43 -2.655 2.680 2.454 1.00 0.42 C ATOM 682 C LEU A 43 -2.183 3.207 3.765 1.00 0.43 C ATOM 683 O LEU A 43 -1.722 4.341 3.888 1.00 0.55 O ATOM 684 CB LEU A 43 -1.506 2.703 1.432 1.00 0.55 C ATOM 685 CG LEU A 43 -1.814 1.751 0.263 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.734 1.921 -0.818 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.931 0.280 0.695 1.00 1.12 C ATOM 0 H LEU A 43 -3.519 4.329 1.524 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.982 1.647 2.575 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.364 3.717 1.057 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.574 2.408 1.915 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.792 2.020 -0.136 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.944 1.250 -1.651 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.734 2.951 -1.173 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.243 1.682 -0.397 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.149 -0.339 -0.176 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.992 -0.043 1.144 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.735 0.178 1.423 1.00 1.12 H new ATOM 699 N ILE A 44 -2.214 2.392 4.835 1.00 0.42 N ATOM 700 CA ILE A 44 -1.746 2.808 6.121 1.00 0.46 C ATOM 701 C ILE A 44 -0.465 2.130 6.467 1.00 0.42 C ATOM 702 O ILE A 44 -0.357 0.923 6.253 1.00 0.53 O ATOM 703 CB ILE A 44 -2.774 2.460 7.156 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.152 3.142 7.090 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.224 2.746 8.564 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.044 4.665 7.036 1.00 1.27 C ATOM 0 H ILE A 44 -2.567 1.435 4.808 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.578 3.885 6.095 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.954 1.408 6.933 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.689 2.787 6.210 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.740 2.852 7.961 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.978 2.490 9.308 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.329 2.147 8.734 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.975 3.804 8.649 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.043 5.099 6.990 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.532 5.025 7.928 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.480 4.959 6.151 1.00 1.27 H new ATOM 718 N PHE A 45 0.546 2.803 7.043 1.00 0.42 N ATOM 719 CA PHE A 45 1.732 2.160 7.519 1.00 0.46 C ATOM 720 C PHE A 45 1.907 2.674 8.906 1.00 0.68 C ATOM 721 O PHE A 45 2.064 3.871 9.139 1.00 1.50 O ATOM 722 CB PHE A 45 3.013 2.490 6.735 1.00 0.56 C ATOM 723 CG PHE A 45 4.179 1.815 7.373 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.381 0.458 7.274 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.111 2.567 8.048 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.495 -0.149 7.805 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.179 1.950 8.655 1.00 1.33 C ATOM 728 CZ PHE A 45 6.435 0.615 8.455 1.00 1.02 C ATOM 0 H PHE A 45 0.540 3.814 7.181 1.00 0.42 H new ATOM 0 HA PHE A 45 1.602 1.082 7.424 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.912 2.163 5.700 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.171 3.568 6.714 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.645 -0.147 6.766 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.004 3.640 8.101 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.630 -1.216 7.712 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.828 2.524 9.300 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.358 0.174 8.802 1.00 1.02 H new ATOM 738 N ALA A 46 1.937 1.767 9.899 1.00 0.81 N ATOM 739 CA ALA A 46 2.074 2.128 11.275 1.00 0.96 C ATOM 740 C ALA A 46 0.858 2.856 11.738 1.00 0.97 C ATOM 741 O ALA A 46 -0.195 2.256 11.939 1.00 1.21 O ATOM 742 CB ALA A 46 3.384 2.868 11.598 1.00 1.20 C ATOM 0 H ALA A 46 1.865 0.762 9.742 1.00 0.81 H new ATOM 0 HA ALA A 46 2.152 1.203 11.846 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.414 3.108 12.661 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.233 2.232 11.346 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.435 3.789 11.017 1.00 1.20 H new ATOM 748 N GLY A 47 0.921 4.198 11.815 1.00 0.99 N ATOM 749 CA GLY A 47 -0.163 5.077 12.121 1.00 1.10 C ATOM 750 C GLY A 47 -0.378 6.187 11.150 1.00 1.03 C ATOM 751 O GLY A 47 -1.315 6.973 11.282 1.00 1.30 O ATOM 0 H GLY A 47 1.792 4.702 11.651 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.079 4.489 12.184 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.008 5.508 13.108 1.00 1.10 H new ATOM 755 N LYS A 48 0.340 6.064 10.020 1.00 0.98 N ATOM 756 CA LYS A 48 0.378 7.082 9.017 1.00 1.05 C ATOM 757 C LYS A 48 -0.325 6.683 7.765 1.00 0.84 C ATOM 758 O LYS A 48 -0.172 5.546 7.324 1.00 0.81 O ATOM 759 CB LYS A 48 1.814 7.498 8.656 1.00 1.42 C ATOM 760 CG LYS A 48 1.854 8.885 8.012 1.00 1.61 C ATOM 761 CD LYS A 48 3.303 9.360 7.884 1.00 1.87 C ATOM 762 CE LYS A 48 3.817 10.125 9.106 1.00 2.22 C ATOM 763 NZ LYS A 48 5.268 10.417 9.102 1.00 2.55 N ATOM 0 H LYS A 48 0.904 5.243 9.799 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.142 7.930 9.463 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.431 7.496 9.555 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.244 6.766 7.972 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.385 8.852 7.029 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.283 9.591 8.614 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.944 8.495 7.713 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.389 9.999 7.005 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.273 11.067 9.180 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.581 9.549 10.001 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.520 10.936 9.967 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.802 9.525 9.065 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.503 10.995 8.270 1.00 2.55 H new ATOM 777 N GLN A 49 -1.083 7.657 7.229 1.00 0.84 N ATOM 778 CA GLN A 49 -1.783 7.492 5.993 1.00 0.80 C ATOM 779 C GLN A 49 -0.958 8.038 4.880 1.00 0.72 C ATOM 780 O GLN A 49 -0.446 9.155 4.924 1.00 0.83 O ATOM 781 CB GLN A 49 -3.153 8.191 6.035 1.00 1.03 C ATOM 782 CG GLN A 49 -4.018 7.855 4.819 1.00 1.67 C ATOM 783 CD GLN A 49 -5.369 8.550 4.907 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.070 8.624 5.914 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.849 8.935 3.693 1.00 2.48 N ATOM 0 H GLN A 49 -1.212 8.572 7.660 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.957 6.428 5.829 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.679 7.898 6.944 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.006 9.270 6.086 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.505 8.161 3.907 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.162 6.776 4.757 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.256 8.868 2.866 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.802 9.290 3.611 1.00 2.48 H new ATOM 794 N LEU A 50 -0.772 7.226 3.823 1.00 0.69 N ATOM 795 CA LEU A 50 0.242 7.614 2.892 1.00 0.66 C ATOM 796 C LEU A 50 -0.203 8.286 1.639 1.00 0.72 C ATOM 797 O LEU A 50 -1.088 7.853 0.901 1.00 0.90 O ATOM 798 CB LEU A 50 0.938 6.316 2.450 1.00 0.65 C ATOM 799 CG LEU A 50 1.487 5.455 3.600 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.276 4.307 2.950 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.410 6.295 4.500 1.00 0.74 C ATOM 0 H LEU A 50 -1.280 6.365 3.620 1.00 0.69 H new ATOM 0 HA LEU A 50 0.854 8.346 3.418 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.231 5.719 1.874 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.760 6.571 1.781 1.00 0.65 H new ATOM 0 HG LEU A 50 0.680 5.072 4.225 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.689 3.663 3.727 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.612 3.725 2.311 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.088 4.718 2.350 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.792 5.674 5.310 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.244 6.676 3.911 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.849 7.131 4.917 1.00 0.74 H new ATOM 813 N GLU A 51 0.510 9.353 1.238 1.00 0.70 N ATOM 814 CA GLU A 51 0.228 10.157 0.089 1.00 0.76 C ATOM 815 C GLU A 51 0.661 9.613 -1.229 1.00 0.77 C ATOM 816 O GLU A 51 1.777 9.118 -1.380 1.00 1.23 O ATOM 817 CB GLU A 51 0.973 11.502 0.092 1.00 0.88 C ATOM 818 CG GLU A 51 0.278 12.382 1.134 1.00 1.35 C ATOM 819 CD GLU A 51 0.963 13.718 1.388 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.130 13.941 0.971 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.280 14.567 2.020 1.00 1.94 O ATOM 0 H GLU A 51 1.334 9.674 1.747 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.857 10.215 0.177 1.00 0.76 H new ATOM 0 HB2 GLU A 51 2.025 11.362 0.342 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.938 11.967 -0.893 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.746 12.569 0.809 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.219 11.833 2.074 1.00 1.35 H new ATOM 828 N ASP A 52 -0.139 9.725 -2.304 1.00 0.66 N ATOM 829 CA ASP A 52 0.098 9.035 -3.534 1.00 0.65 C ATOM 830 C ASP A 52 1.388 9.372 -4.201 1.00 0.60 C ATOM 831 O ASP A 52 2.183 8.467 -4.442 1.00 0.62 O ATOM 832 CB ASP A 52 -1.047 9.378 -4.502 1.00 0.81 C ATOM 833 CG ASP A 52 -2.237 8.490 -4.168 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.909 8.671 -3.117 1.00 1.44 O ATOM 835 OD2 ASP A 52 -2.509 7.559 -4.972 1.00 1.56 O ATOM 0 H ASP A 52 -0.974 10.311 -2.319 1.00 0.66 H new ATOM 0 HA ASP A 52 0.149 7.975 -3.287 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.320 10.429 -4.410 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.733 9.219 -5.534 1.00 0.81 H new ATOM 840 N GLY A 53 1.710 10.673 -4.319 1.00 0.68 N ATOM 841 CA GLY A 53 2.963 11.166 -4.800 1.00 0.73 C ATOM 842 C GLY A 53 4.091 11.367 -3.848 1.00 0.72 C ATOM 843 O GLY A 53 4.903 12.253 -4.111 1.00 0.97 O ATOM 0 H GLY A 53 1.062 11.419 -4.066 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.308 10.480 -5.573 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.772 12.123 -5.285 1.00 0.73 H new ATOM 847 N ARG A 54 4.241 10.501 -2.830 1.00 0.64 N ATOM 848 CA ARG A 54 5.431 10.346 -2.051 1.00 0.63 C ATOM 849 C ARG A 54 5.977 8.980 -2.290 1.00 0.59 C ATOM 850 O ARG A 54 5.314 8.068 -2.783 1.00 0.62 O ATOM 851 CB ARG A 54 5.221 10.517 -0.537 1.00 0.69 C ATOM 852 CG ARG A 54 4.693 11.865 -0.040 1.00 0.82 C ATOM 853 CD ARG A 54 5.601 13.091 -0.154 1.00 1.18 C ATOM 854 NE ARG A 54 4.702 14.218 0.218 1.00 1.50 N ATOM 855 CZ ARG A 54 5.215 15.462 0.455 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.537 15.798 0.427 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.438 16.545 0.744 1.00 2.49 N ATOM 0 H ARG A 54 3.492 9.875 -2.535 1.00 0.64 H new ATOM 0 HA ARG A 54 6.113 11.135 -2.368 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.529 9.743 -0.205 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.174 10.327 -0.043 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.773 12.082 -0.584 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.423 11.749 1.010 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.457 13.021 0.517 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.995 13.207 -1.163 1.00 1.18 H new ATOM 0 HE ARG A 54 3.697 14.061 0.296 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.239 15.089 0.215 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.823 16.758 0.618 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.424 16.447 0.791 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.871 17.453 0.913 1.00 2.49 H new ATOM 871 N THR A 55 7.263 8.714 -2.004 1.00 0.63 N ATOM 872 CA THR A 55 7.847 7.418 -2.166 1.00 0.61 C ATOM 873 C THR A 55 8.004 6.583 -0.942 1.00 0.59 C ATOM 874 O THR A 55 7.786 7.052 0.173 1.00 0.64 O ATOM 875 CB THR A 55 9.119 7.444 -2.959 1.00 0.68 C ATOM 876 OG1 THR A 55 10.215 8.083 -2.321 1.00 0.75 O ATOM 877 CG2 THR A 55 9.014 8.360 -4.191 1.00 0.76 C ATOM 0 H THR A 55 7.914 9.416 -1.652 1.00 0.63 H new ATOM 0 HA THR A 55 7.075 6.905 -2.740 1.00 0.61 H new ATOM 0 HB THR A 55 9.269 6.380 -3.143 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.955 8.990 -2.055 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.958 8.348 -4.735 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.215 8.004 -4.842 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.794 9.378 -3.870 1.00 0.76 H new ATOM 885 N LEU A 56 8.384 5.300 -1.079 1.00 0.58 N ATOM 886 CA LEU A 56 8.719 4.459 0.028 1.00 0.59 C ATOM 887 C LEU A 56 9.931 4.917 0.764 1.00 0.64 C ATOM 888 O LEU A 56 10.115 4.722 1.964 1.00 0.70 O ATOM 889 CB LEU A 56 8.932 3.036 -0.514 1.00 0.60 C ATOM 890 CG LEU A 56 7.645 2.421 -1.089 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.995 1.668 -2.384 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.870 1.487 -0.145 1.00 1.03 C ATOM 0 H LEU A 56 8.460 4.835 -1.984 1.00 0.58 H new ATOM 0 HA LEU A 56 7.902 4.493 0.748 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.697 3.058 -1.290 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.308 2.399 0.287 1.00 0.60 H new ATOM 0 HG LEU A 56 6.971 3.259 -1.265 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.091 1.226 -2.804 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.427 2.363 -3.104 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.715 0.880 -2.163 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.982 1.111 -0.653 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.506 0.649 0.141 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.572 2.037 0.747 1.00 1.03 H new ATOM 904 N SER A 57 10.795 5.682 0.071 1.00 0.68 N ATOM 905 CA SER A 57 11.983 6.353 0.498 1.00 0.75 C ATOM 906 C SER A 57 11.810 7.376 1.568 1.00 0.76 C ATOM 907 O SER A 57 12.254 7.236 2.706 1.00 0.84 O ATOM 908 CB SER A 57 12.869 6.869 -0.648 1.00 0.84 C ATOM 909 OG SER A 57 14.111 7.334 -0.143 1.00 1.19 O ATOM 0 H SER A 57 10.633 5.848 -0.922 1.00 0.68 H new ATOM 0 HA SER A 57 12.528 5.540 0.978 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.039 6.072 -1.372 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.359 7.675 -1.176 1.00 0.84 H new ATOM 0 HG SER A 57 14.665 7.658 -0.884 1.00 1.19 H new ATOM 915 N ASP A 58 10.985 8.394 1.265 1.00 0.75 N ATOM 916 CA ASP A 58 10.352 9.403 2.056 1.00 0.78 C ATOM 917 C ASP A 58 9.813 9.031 3.394 1.00 0.77 C ATOM 918 O ASP A 58 10.038 9.656 4.428 1.00 0.86 O ATOM 919 CB ASP A 58 9.118 9.869 1.265 1.00 0.83 C ATOM 920 CG ASP A 58 9.668 10.591 0.042 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.503 11.528 0.160 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.244 10.265 -1.098 1.00 1.86 O ATOM 0 H ASP A 58 10.721 8.524 0.288 1.00 0.75 H new ATOM 0 HA ASP A 58 11.148 10.123 2.243 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.496 9.023 0.974 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.495 10.532 1.865 1.00 0.83 H new ATOM 927 N TYR A 59 9.172 7.851 3.486 1.00 0.72 N ATOM 928 CA TYR A 59 8.695 7.328 4.728 1.00 0.73 C ATOM 929 C TYR A 59 9.569 6.329 5.407 1.00 0.76 C ATOM 930 O TYR A 59 9.018 5.799 6.370 1.00 0.89 O ATOM 931 CB TYR A 59 7.324 6.718 4.393 1.00 0.73 C ATOM 932 CG TYR A 59 6.333 7.698 3.867 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.724 8.628 4.677 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.759 7.489 2.635 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.748 9.456 4.175 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.748 8.269 2.126 1.00 0.70 C ATOM 937 CZ TYR A 59 4.180 9.216 2.946 1.00 0.74 C ATOM 938 OH TYR A 59 3.026 9.939 2.572 1.00 0.86 O ATOM 0 H TYR A 59 8.982 7.250 2.684 1.00 0.72 H new ATOM 0 HA TYR A 59 8.662 8.138 5.457 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.461 5.926 3.657 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.917 6.252 5.290 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.014 8.708 5.714 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.122 6.668 2.035 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.423 10.307 4.754 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.409 8.142 1.109 1.00 0.70 H new ATOM 0 HH TYR A 59 3.040 10.821 2.999 1.00 0.86 H new ATOM 948 N ASN A 60 10.803 6.172 4.895 1.00 0.74 N ATOM 949 CA ASN A 60 11.755 5.203 5.343 1.00 0.79 C ATOM 950 C ASN A 60 11.265 3.798 5.387 1.00 0.75 C ATOM 951 O ASN A 60 11.394 3.162 6.432 1.00 0.86 O ATOM 952 CB ASN A 60 12.375 5.728 6.648 1.00 0.95 C ATOM 953 CG ASN A 60 13.652 4.968 6.980 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.407 4.687 6.051 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.773 4.394 8.207 1.00 1.83 N ATOM 0 H ASN A 60 11.154 6.749 4.131 1.00 0.74 H new ATOM 0 HA ASN A 60 12.540 5.103 4.593 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.593 6.791 6.551 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.660 5.623 7.464 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.507 3.707 8.379 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.129 4.650 8.956 1.00 1.83 H new ATOM 962 N ILE A 61 10.670 3.266 4.305 1.00 0.67 N ATOM 963 CA ILE A 61 10.207 1.916 4.207 1.00 0.65 C ATOM 964 C ILE A 61 11.160 1.080 3.425 1.00 0.66 C ATOM 965 O ILE A 61 11.441 1.236 2.238 1.00 0.75 O ATOM 966 CB ILE A 61 8.810 2.032 3.673 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.799 2.721 4.604 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.228 0.661 3.292 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.401 2.939 4.027 1.00 0.82 C ATOM 0 H ILE A 61 10.503 3.805 3.455 1.00 0.67 H new ATOM 0 HA ILE A 61 10.169 1.380 5.155 1.00 0.65 H new ATOM 0 HB ILE A 61 8.938 2.670 2.799 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.707 2.126 5.513 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.205 3.689 4.897 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.215 0.789 2.910 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.850 0.202 2.524 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.205 0.018 4.172 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.774 3.432 4.770 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.468 3.564 3.137 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.963 1.977 3.762 1.00 0.82 H new ATOM 981 N GLN A 62 11.720 0.077 4.126 1.00 0.67 N ATOM 982 CA GLN A 62 12.762 -0.752 3.604 1.00 0.70 C ATOM 983 C GLN A 62 12.194 -2.052 3.151 1.00 0.62 C ATOM 984 O GLN A 62 11.016 -2.171 2.819 1.00 0.64 O ATOM 985 CB GLN A 62 13.791 -0.914 4.736 1.00 0.85 C ATOM 986 CG GLN A 62 14.341 0.415 5.259 1.00 1.27 C ATOM 987 CD GLN A 62 15.383 0.079 6.317 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.056 0.203 7.496 1.00 2.08 O ATOM 989 NE2 GLN A 62 16.625 -0.334 5.951 1.00 2.16 N ATOM 0 H GLN A 62 11.442 -0.163 5.078 1.00 0.67 H new ATOM 0 HA GLN A 62 13.246 -0.315 2.730 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.329 -1.456 5.561 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.620 -1.525 4.378 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.786 0.994 4.450 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.542 1.023 5.684 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.861 -0.426 4.963 1.00 2.16 H new ATOM 0 HE22 GLN A 62 17.321 -0.552 6.664 1.00 2.16 H new ATOM 998 N LYS A 63 12.998 -3.130 3.142 1.00 0.64 N ATOM 999 CA LYS A 63 12.657 -4.485 2.831 1.00 0.62 C ATOM 1000 C LYS A 63 11.883 -5.228 3.865 1.00 0.59 C ATOM 1001 O LYS A 63 12.070 -5.127 5.077 1.00 0.66 O ATOM 1002 CB LYS A 63 13.904 -5.348 2.571 1.00 0.74 C ATOM 1003 CG LYS A 63 14.769 -4.855 1.410 1.00 0.89 C ATOM 1004 CD LYS A 63 16.144 -5.516 1.302 1.00 1.11 C ATOM 1005 CE LYS A 63 17.193 -4.534 0.779 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.487 -5.241 0.642 1.00 2.12 N ATOM 0 H LYS A 63 13.987 -3.042 3.377 1.00 0.64 H new ATOM 0 HA LYS A 63 12.029 -4.351 1.950 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.510 -5.375 3.477 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.589 -6.372 2.367 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.229 -5.021 0.478 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.907 -3.779 1.511 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.448 -5.890 2.280 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.085 -6.377 0.636 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.882 -4.128 -0.183 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.295 -3.691 1.463 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 19.207 -4.581 0.287 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.782 -5.609 1.569 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.382 -6.031 -0.026 1.00 2.12 H new ATOM 1020 N GLU A 64 10.960 -6.049 3.334 1.00 0.57 N ATOM 1021 CA GLU A 64 10.099 -6.946 4.041 1.00 0.58 C ATOM 1022 C GLU A 64 9.120 -6.133 4.815 1.00 0.56 C ATOM 1023 O GLU A 64 8.676 -6.606 5.861 1.00 0.70 O ATOM 1024 CB GLU A 64 10.842 -8.055 4.804 1.00 0.72 C ATOM 1025 CG GLU A 64 11.618 -9.070 3.961 1.00 0.96 C ATOM 1026 CD GLU A 64 12.364 -10.057 4.848 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.442 -9.649 5.357 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.021 -11.263 4.969 1.00 1.69 O ATOM 0 H GLU A 64 10.804 -6.088 2.327 1.00 0.57 H new ATOM 0 HA GLU A 64 9.525 -7.552 3.341 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.540 -7.583 5.496 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.115 -8.599 5.407 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.930 -9.609 3.309 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.325 -8.548 3.316 1.00 0.96 H new ATOM 1035 N SER A 65 8.639 -4.957 4.374 1.00 0.51 N ATOM 1036 CA SER A 65 7.773 -4.018 5.018 1.00 0.51 C ATOM 1037 C SER A 65 6.326 -4.236 4.735 1.00 0.43 C ATOM 1038 O SER A 65 5.964 -4.397 3.570 1.00 0.50 O ATOM 1039 CB SER A 65 8.075 -2.549 4.676 1.00 0.65 C ATOM 1040 OG SER A 65 9.470 -2.354 4.862 1.00 1.04 O ATOM 0 H SER A 65 8.894 -4.626 3.444 1.00 0.51 H new ATOM 0 HA SER A 65 7.980 -4.204 6.072 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.789 -2.326 3.648 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.504 -1.879 5.318 1.00 0.65 H new ATOM 0 HG SER A 65 9.913 -2.308 3.989 1.00 1.04 H new ATOM 1046 N THR A 66 5.471 -4.134 5.767 1.00 0.45 N ATOM 1047 CA THR A 66 4.068 -4.417 5.746 1.00 0.45 C ATOM 1048 C THR A 66 3.184 -3.220 5.819 1.00 0.43 C ATOM 1049 O THR A 66 3.097 -2.534 6.835 1.00 0.58 O ATOM 1050 CB THR A 66 3.532 -5.334 6.804 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.327 -6.509 6.749 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.049 -5.699 6.621 1.00 0.78 C ATOM 0 H THR A 66 5.786 -3.830 6.688 1.00 0.45 H new ATOM 0 HA THR A 66 4.031 -4.909 4.774 1.00 0.45 H new ATOM 0 HB THR A 66 3.584 -4.828 7.768 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.017 -7.146 7.427 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.736 -6.365 7.425 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.445 -4.792 6.645 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.913 -6.200 5.662 1.00 0.78 H new ATOM 1060 N LEU A 67 2.407 -3.041 4.736 1.00 0.38 N ATOM 1061 CA LEU A 67 1.429 -2.009 4.573 1.00 0.38 C ATOM 1062 C LEU A 67 0.079 -2.608 4.767 1.00 0.37 C ATOM 1063 O LEU A 67 -0.080 -3.823 4.662 1.00 0.50 O ATOM 1064 CB LEU A 67 1.501 -1.518 3.118 1.00 0.46 C ATOM 1065 CG LEU A 67 2.778 -0.751 2.733 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.963 0.615 3.416 1.00 1.40 C ATOM 1067 CD2 LEU A 67 4.123 -1.473 2.921 1.00 1.31 C ATOM 0 H LEU A 67 2.465 -3.655 3.924 1.00 0.38 H new ATOM 0 HA LEU A 67 1.606 -1.199 5.281 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.405 -2.380 2.458 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.642 -0.874 2.929 1.00 0.46 H new ATOM 0 HG LEU A 67 2.563 -0.647 1.669 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.893 1.070 3.074 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.126 1.265 3.161 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.001 0.479 4.497 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.935 -0.816 2.610 1.00 1.31 H new ATOM 0 HD22 LEU A 67 4.251 -1.737 3.971 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.137 -2.379 2.315 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.863 -1.718 5.126 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.218 -2.097 5.388 1.00 0.37 C ATOM 1081 C HIS A 68 -3.091 -1.414 4.393 1.00 0.35 C ATOM 1082 O HIS A 68 -3.168 -0.199 4.225 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.650 -1.598 6.778 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.969 -2.415 7.837 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.715 -2.055 8.287 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.361 -3.507 8.545 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.398 -2.962 9.249 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.362 -3.844 9.435 1.00 1.51 N ATOM 0 H HIS A 68 -0.682 -0.720 5.236 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.301 -3.183 5.334 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.393 -0.545 6.894 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.732 -1.675 6.884 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.301 -4.026 8.430 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.533 -2.961 9.796 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.367 -4.617 10.101 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.868 -2.219 3.645 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.784 -1.805 2.628 1.00 0.38 C ATOM 1098 C LEU A 69 -6.184 -1.711 3.128 1.00 0.41 C ATOM 1099 O LEU A 69 -6.887 -2.721 3.134 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.642 -2.933 1.592 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.540 -2.967 0.345 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.364 -1.728 -0.551 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.267 -4.315 -0.344 1.00 1.14 C ATOM 0 H LEU A 69 -3.854 -3.232 3.761 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.569 -0.809 2.241 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.609 -2.921 1.244 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.790 -3.875 2.120 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.596 -2.908 0.609 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.023 -1.808 -1.416 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.615 -0.831 0.015 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.329 -1.667 -0.888 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.881 -4.396 -1.241 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.214 -4.377 -0.618 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.513 -5.129 0.338 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.697 -0.556 3.591 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.042 -0.295 3.998 1.00 0.56 C ATOM 1117 C VAL A 70 -8.752 0.205 2.787 1.00 0.55 C ATOM 1118 O VAL A 70 -8.194 1.011 2.044 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.979 0.763 5.060 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.388 0.989 5.633 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.986 0.341 6.157 1.00 0.97 C ATOM 0 H VAL A 70 -6.111 0.273 3.688 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.558 -1.169 4.395 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.626 1.702 4.634 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.348 1.757 6.405 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.058 1.311 4.836 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.759 0.059 6.065 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.944 1.112 6.926 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.314 -0.598 6.603 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.996 0.209 5.720 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.985 -0.263 2.520 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.776 0.161 1.408 1.00 0.84 C ATOM 1133 C LEU A 71 -11.934 0.987 1.854 1.00 0.85 C ATOM 1134 O LEU A 71 -12.368 1.015 3.005 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.244 -1.020 0.540 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.052 -1.847 0.027 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.425 -3.144 -0.710 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.065 -1.054 -0.845 1.00 2.78 C ATOM 0 H LEU A 71 -10.447 -0.963 3.101 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.134 0.782 0.783 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.909 -1.659 1.121 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.820 -0.646 -0.306 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.561 -2.122 0.961 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.517 -3.654 -1.032 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.988 -3.794 -0.040 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.035 -2.905 -1.581 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.255 -1.709 -1.165 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.585 -0.665 -1.720 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.655 -0.225 -0.268 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.502 1.683 0.854 1.00 0.92 N ATOM 1151 CA ARG A 72 -13.735 2.405 0.807 1.00 1.10 C ATOM 1152 C ARG A 72 -14.813 1.464 0.390 1.00 1.35 C ATOM 1153 O ARG A 72 -14.592 0.527 -0.375 1.00 1.56 O ATOM 1154 CB ARG A 72 -13.549 3.552 -0.201 1.00 1.34 C ATOM 1155 CG ARG A 72 -14.701 4.557 -0.157 1.00 1.65 C ATOM 1156 CD ARG A 72 -14.320 5.805 -0.957 1.00 1.99 C ATOM 1157 NE ARG A 72 -14.097 5.415 -2.378 1.00 2.54 N ATOM 1158 CZ ARG A 72 -13.676 6.293 -3.335 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -13.101 7.512 -3.122 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -13.886 5.890 -4.622 1.00 3.75 N ATOM 0 H ARG A 72 -12.025 1.744 -0.045 1.00 0.92 H new ATOM 0 HA ARG A 72 -14.014 2.824 1.774 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.612 4.068 0.008 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -13.468 3.139 -1.207 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -15.605 4.109 -0.570 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -14.923 4.827 0.875 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -15.111 6.552 -0.890 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -13.419 6.257 -0.544 1.00 1.99 H new ATOM 0 HE ARG A 72 -14.267 4.446 -2.648 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.949 7.845 -2.170 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -12.823 8.090 -3.915 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -14.329 4.990 -4.809 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -13.600 6.489 -5.397 1.00 3.75 H new ATOM 1174 N LEU A 73 -16.054 1.786 0.796 1.00 1.54 N ATOM 1175 CA LEU A 73 -17.291 1.174 0.425 1.00 1.93 C ATOM 1176 C LEU A 73 -17.617 1.338 -1.020 1.00 2.13 C ATOM 1177 O LEU A 73 -17.581 2.419 -1.606 1.00 2.57 O ATOM 1178 CB LEU A 73 -18.498 1.647 1.253 1.00 2.23 C ATOM 1179 CG LEU A 73 -18.312 1.464 2.769 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -19.512 2.171 3.423 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -18.206 -0.022 3.149 1.00 3.14 C ATOM 0 H LEU A 73 -16.203 2.554 1.451 1.00 1.54 H new ATOM 0 HA LEU A 73 -17.119 0.119 0.639 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -18.683 2.700 1.042 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -19.384 1.098 0.935 1.00 2.23 H new ATOM 0 HG LEU A 73 -17.377 1.900 3.121 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.442 2.079 4.507 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -19.507 3.226 3.147 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -20.438 1.710 3.079 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -18.075 -0.113 4.227 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -19.117 -0.540 2.849 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.351 -0.467 2.641 1.00 3.14 H new ATOM 1193 N ARG A 74 -17.965 0.198 -1.642 1.00 2.32 N ATOM 1194 CA ARG A 74 -18.431 0.169 -2.994 1.00 2.55 C ATOM 1195 C ARG A 74 -19.857 0.539 -3.218 1.00 2.58 C ATOM 1196 O ARG A 74 -20.708 -0.241 -2.794 1.00 3.08 O ATOM 1197 CB ARG A 74 -18.202 -1.173 -3.706 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.715 -1.496 -3.864 1.00 4.01 C ATOM 1199 CD ARG A 74 -16.387 -2.840 -4.519 1.00 4.67 C ATOM 1200 NE ARG A 74 -16.553 -2.615 -5.982 1.00 5.36 N ATOM 1201 CZ ARG A 74 -16.161 -3.571 -6.875 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -15.618 -4.768 -6.506 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -16.453 -3.446 -8.202 1.00 6.80 N ATOM 0 H ARG A 74 -17.922 -0.720 -1.199 1.00 2.32 H new ATOM 0 HA ARG A 74 -17.807 0.953 -3.423 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -18.687 -1.969 -3.142 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -18.673 -1.146 -4.689 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -16.252 -0.704 -4.453 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.251 -1.472 -2.878 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -15.371 -3.155 -4.282 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -17.055 -3.624 -4.163 1.00 4.67 H new ATOM 0 HE ARG A 74 -16.961 -1.743 -6.318 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.487 -4.986 -5.518 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -15.343 -5.445 -7.218 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -16.969 -2.632 -8.536 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -16.155 -4.166 -8.860 1.00 6.80 H new ATOM 1217 N GLY A 75 -20.160 1.637 -3.935 1.00 2.73 N ATOM 1218 CA GLY A 75 -21.468 2.205 -4.044 1.00 3.22 C ATOM 1219 C GLY A 75 -21.491 2.652 -5.465 1.00 3.16 C ATOM 1220 O GLY A 75 -22.343 2.258 -6.260 1.00 3.57 O ATOM 0 H GLY A 75 -19.458 2.153 -4.464 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -22.249 1.475 -3.833 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -21.612 3.035 -3.352 1.00 3.22 H new ATOM 1224 N GLY A 76 -20.552 3.534 -5.853 1.00 3.14 N ATOM 1225 CA GLY A 76 -20.472 4.084 -7.170 1.00 3.37 C ATOM 1226 C GLY A 76 -19.250 4.989 -7.094 1.00 3.48 C ATOM 1227 O GLY A 76 -18.177 4.645 -6.529 1.00 3.87 O ATOM 1228 OXT GLY A 76 -19.344 6.132 -7.616 1.00 3.70 O ATOM 0 H GLY A 76 -19.823 3.876 -5.227 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -20.351 3.307 -7.925 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -21.372 4.643 -7.429 1.00 3.37 H new TER 1232 GLY A 76