USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.75 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 144:sc= 0.739 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.657 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.442 (180deg=-0.447) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 2 GLN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.09 (180deg=0.047) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.04 (180deg=0.637) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.147 (180deg=-0.681) USER MOD Single : A 31 GLN : amide:sc= -1.59! C(o=-1.6!,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= 1.26 (180deg=-0.162) USER MOD Single : A 40 GLN : amide:sc= -0.094 K(o=-0.094,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.306 K(o=0.31,f=-4.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.421 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 -143:sc= 0.324 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=-0.00091) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.135 -3.768 -3.923 1.00 0.78 N ATOM 2 CA MET A 1 12.836 -4.293 -2.572 1.00 0.70 C ATOM 3 C MET A 1 11.472 -4.861 -2.387 1.00 0.62 C ATOM 4 O MET A 1 10.474 -4.199 -2.667 1.00 0.68 O ATOM 5 CB MET A 1 13.025 -3.185 -1.523 1.00 0.75 C ATOM 6 CG MET A 1 12.032 -2.021 -1.520 1.00 0.79 C ATOM 7 SD MET A 1 12.494 -0.806 -0.247 1.00 1.10 S ATOM 8 CE MET A 1 10.804 -0.157 -0.110 1.00 0.84 C ATOM 0 H1 MET A 1 14.106 -3.397 -3.944 1.00 0.78 H new ATOM 0 H2 MET A 1 13.041 -4.533 -4.621 1.00 0.78 H new ATOM 0 H3 MET A 1 12.468 -3.004 -4.154 1.00 0.78 H new ATOM 0 HA MET A 1 13.538 -5.117 -2.446 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.997 -3.650 -0.538 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.025 -2.770 -1.652 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.016 -1.544 -2.500 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.025 -2.393 -1.330 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.776 0.628 0.646 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.493 0.253 -1.071 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.127 -0.962 0.177 1.00 0.84 H new ATOM 20 N GLN A 2 11.400 -6.084 -1.832 1.00 0.59 N ATOM 21 CA GLN A 2 10.157 -6.764 -1.643 1.00 0.56 C ATOM 22 C GLN A 2 9.394 -6.178 -0.505 1.00 0.50 C ATOM 23 O GLN A 2 10.019 -5.844 0.500 1.00 0.60 O ATOM 24 CB GLN A 2 10.425 -8.253 -1.363 1.00 0.71 C ATOM 25 CG GLN A 2 9.201 -9.170 -1.327 1.00 1.15 C ATOM 26 CD GLN A 2 9.697 -10.564 -0.972 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.651 -11.470 -1.803 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.211 -10.771 0.271 1.00 1.72 N ATOM 0 H GLN A 2 12.214 -6.607 -1.511 1.00 0.59 H new ATOM 0 HA GLN A 2 9.564 -6.654 -2.551 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.109 -8.626 -2.125 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.940 -8.333 -0.406 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.478 -8.819 -0.590 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.695 -9.175 -2.292 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.240 -10.006 0.945 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.568 -11.691 0.529 1.00 1.72 H new ATOM 37 N ILE A 3 8.080 -5.920 -0.622 1.00 0.44 N ATOM 38 CA ILE A 3 7.234 -5.460 0.436 1.00 0.42 C ATOM 39 C ILE A 3 6.010 -6.310 0.461 1.00 0.40 C ATOM 40 O ILE A 3 5.728 -7.235 -0.298 1.00 0.50 O ATOM 41 CB ILE A 3 6.805 -4.030 0.293 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.015 -3.686 -0.982 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.047 -3.168 0.577 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.449 -2.272 -0.864 1.00 0.72 C ATOM 0 H ILE A 3 7.580 -6.039 -1.503 1.00 0.44 H new ATOM 0 HA ILE A 3 7.814 -5.529 1.356 1.00 0.42 H new ATOM 0 HB ILE A 3 6.030 -3.804 1.026 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.664 -3.758 -1.855 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.206 -4.402 -1.126 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.787 -2.114 0.485 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.405 -3.367 1.587 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.831 -3.412 -0.140 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.889 -2.028 -1.767 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.787 -2.216 -0.000 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.267 -1.562 -0.741 1.00 0.72 H new ATOM 56 N PHE A 4 5.183 -6.082 1.497 1.00 0.37 N ATOM 57 CA PHE A 4 4.062 -6.927 1.769 1.00 0.38 C ATOM 58 C PHE A 4 2.886 -6.016 1.867 1.00 0.39 C ATOM 59 O PHE A 4 2.934 -4.946 2.471 1.00 0.60 O ATOM 60 CB PHE A 4 4.045 -7.629 3.137 1.00 0.45 C ATOM 61 CG PHE A 4 5.258 -8.459 3.387 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.712 -9.310 2.409 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.980 -8.413 4.557 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.854 -10.058 2.580 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.124 -9.154 4.741 1.00 1.40 C ATOM 66 CZ PHE A 4 7.525 -10.053 3.780 1.00 0.85 C ATOM 0 H PHE A 4 5.292 -5.307 2.151 1.00 0.37 H new ATOM 0 HA PHE A 4 4.078 -7.688 0.988 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.958 -6.878 3.922 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.160 -8.262 3.202 1.00 0.45 H new ATOM 0 HD1 PHE A 4 5.160 -9.394 1.485 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.637 -7.774 5.357 1.00 1.30 H new ATOM 0 HE1 PHE A 4 7.228 -10.656 1.762 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.708 -9.030 5.641 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.343 -10.735 3.963 1.00 0.85 H new ATOM 76 N VAL A 5 1.775 -6.409 1.218 1.00 0.35 N ATOM 77 CA VAL A 5 0.552 -5.669 1.234 1.00 0.35 C ATOM 78 C VAL A 5 -0.443 -6.556 1.902 1.00 0.35 C ATOM 79 O VAL A 5 -0.748 -7.660 1.452 1.00 0.46 O ATOM 80 CB VAL A 5 -0.024 -5.154 -0.051 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.283 -4.277 0.068 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.128 -4.555 -0.875 1.00 0.56 C ATOM 0 H VAL A 5 1.726 -7.266 0.667 1.00 0.35 H new ATOM 0 HA VAL A 5 0.790 -4.735 1.744 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.454 -5.995 -0.595 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.605 -3.966 -0.926 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.080 -4.847 0.546 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.057 -3.396 0.669 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.739 -4.171 -1.818 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.591 -3.742 -0.316 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.871 -5.327 -1.076 1.00 0.56 H new ATOM 92 N LYS A 6 -0.986 -6.228 3.087 1.00 0.36 N ATOM 93 CA LYS A 6 -1.965 -7.072 3.699 1.00 0.39 C ATOM 94 C LYS A 6 -3.306 -6.428 3.620 1.00 0.46 C ATOM 95 O LYS A 6 -3.445 -5.221 3.816 1.00 0.53 O ATOM 96 CB LYS A 6 -1.617 -7.326 5.176 1.00 0.54 C ATOM 97 CG LYS A 6 -2.429 -8.484 5.758 1.00 1.22 C ATOM 98 CD LYS A 6 -1.633 -9.783 5.612 1.00 1.37 C ATOM 99 CE LYS A 6 -0.478 -9.837 6.613 1.00 1.93 C ATOM 100 NZ LYS A 6 0.128 -11.188 6.614 1.00 2.09 N ATOM 0 H LYS A 6 -0.751 -5.389 3.617 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.977 -8.023 3.167 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.553 -7.546 5.266 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.806 -6.422 5.755 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.651 -8.296 6.808 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.385 -8.569 5.241 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.293 -10.637 5.767 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.243 -9.862 4.597 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.274 -9.092 6.353 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.839 -9.591 7.611 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.156 -11.107 6.753 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.282 -11.752 7.385 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.063 -11.655 5.704 1.00 2.09 H new ATOM 114 N THR A 7 -4.375 -7.173 3.289 1.00 0.58 N ATOM 115 CA THR A 7 -5.707 -6.654 3.334 1.00 0.78 C ATOM 116 C THR A 7 -6.358 -6.696 4.673 1.00 0.94 C ATOM 117 O THR A 7 -5.845 -7.333 5.593 1.00 0.99 O ATOM 118 CB THR A 7 -6.612 -7.430 2.423 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.951 -8.730 2.883 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.876 -7.626 1.088 1.00 0.92 C ATOM 0 H THR A 7 -4.315 -8.145 2.987 1.00 0.58 H new ATOM 0 HA THR A 7 -5.582 -5.613 3.036 1.00 0.78 H new ATOM 0 HB THR A 7 -7.535 -6.854 2.355 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.542 -9.163 2.233 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.510 -8.188 0.402 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.645 -6.653 0.654 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.950 -8.175 1.260 1.00 0.92 H new ATOM 128 N LEU A 8 -7.489 -5.995 4.870 1.00 1.17 N ATOM 129 CA LEU A 8 -8.386 -6.111 5.979 1.00 1.39 C ATOM 130 C LEU A 8 -8.708 -7.442 6.567 1.00 1.44 C ATOM 131 O LEU A 8 -8.813 -7.632 7.779 1.00 1.60 O ATOM 132 CB LEU A 8 -9.658 -5.282 5.731 1.00 1.66 C ATOM 133 CG LEU A 8 -9.458 -3.767 5.909 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.515 -2.978 5.118 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.508 -3.400 7.402 1.00 2.43 C ATOM 0 H LEU A 8 -7.800 -5.292 4.200 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.769 -5.706 6.782 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.015 -5.475 4.719 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.438 -5.618 6.414 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.478 -3.498 5.516 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.353 -1.909 5.260 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.432 -3.220 4.058 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.510 -3.244 5.475 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.365 -2.326 7.518 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.476 -3.684 7.814 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.718 -3.930 7.934 1.00 2.43 H new ATOM 147 N THR A 9 -9.125 -8.434 5.762 1.00 1.41 N ATOM 148 CA THR A 9 -9.531 -9.691 6.312 1.00 1.51 C ATOM 149 C THR A 9 -8.338 -10.548 6.564 1.00 1.37 C ATOM 150 O THR A 9 -8.297 -11.363 7.484 1.00 1.62 O ATOM 151 CB THR A 9 -10.542 -10.368 5.433 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.091 -10.480 4.092 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.826 -9.524 5.369 1.00 2.08 C ATOM 0 H THR A 9 -9.181 -8.370 4.746 1.00 1.41 H new ATOM 0 HA THR A 9 -10.022 -9.515 7.269 1.00 1.51 H new ATOM 0 HB THR A 9 -10.710 -11.356 5.863 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.776 -10.927 3.553 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.556 -10.020 4.730 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.238 -9.412 6.372 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.595 -8.540 4.960 1.00 2.08 H new ATOM 161 N GLY A 10 -7.282 -10.428 5.741 1.00 1.18 N ATOM 162 CA GLY A 10 -6.058 -11.103 6.044 1.00 1.22 C ATOM 163 C GLY A 10 -5.290 -11.650 4.890 1.00 0.99 C ATOM 164 O GLY A 10 -4.581 -12.636 5.086 1.00 1.31 O ATOM 0 H GLY A 10 -7.272 -9.876 4.883 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.413 -10.410 6.584 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.282 -11.925 6.723 1.00 1.22 H new ATOM 168 N LYS A 11 -5.454 -11.101 3.673 1.00 0.73 N ATOM 169 CA LYS A 11 -4.783 -11.690 2.556 1.00 0.60 C ATOM 170 C LYS A 11 -3.413 -11.138 2.351 1.00 0.51 C ATOM 171 O LYS A 11 -3.282 -9.934 2.142 1.00 0.63 O ATOM 172 CB LYS A 11 -5.568 -11.401 1.265 1.00 0.75 C ATOM 173 CG LYS A 11 -5.184 -12.224 0.033 1.00 0.87 C ATOM 174 CD LYS A 11 -5.941 -11.724 -1.199 1.00 1.04 C ATOM 175 CE LYS A 11 -7.392 -12.184 -1.357 1.00 1.30 C ATOM 176 NZ LYS A 11 -7.757 -11.875 -2.758 1.00 1.40 N ATOM 0 H LYS A 11 -6.027 -10.283 3.466 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.716 -12.756 2.771 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.627 -11.562 1.466 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.447 -10.345 1.021 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.110 -12.154 -0.139 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.411 -13.276 0.205 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.931 -10.634 -1.184 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.388 -12.035 -2.086 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -7.490 -13.250 -1.152 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -8.047 -11.664 -0.658 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -8.513 -12.518 -3.070 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -8.091 -10.892 -2.821 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.924 -11.998 -3.369 1.00 1.40 H new ATOM 190 N THR A 12 -2.375 -11.993 2.345 1.00 0.49 N ATOM 191 CA THR A 12 -1.053 -11.565 2.008 1.00 0.48 C ATOM 192 C THR A 12 -0.621 -11.477 0.585 1.00 0.52 C ATOM 193 O THR A 12 -0.513 -12.480 -0.118 1.00 0.72 O ATOM 194 CB THR A 12 -0.096 -12.481 2.714 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.305 -12.692 4.102 1.00 0.77 O ATOM 196 CG2 THR A 12 1.322 -11.890 2.774 1.00 0.78 C ATOM 0 H THR A 12 -2.452 -12.984 2.574 1.00 0.49 H new ATOM 0 HA THR A 12 -1.057 -10.519 2.314 1.00 0.48 H new ATOM 0 HB THR A 12 -0.244 -13.388 2.128 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.378 -13.305 4.446 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.984 -12.584 3.293 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.691 -11.725 1.762 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.298 -10.941 3.310 1.00 0.78 H new ATOM 204 N ILE A 13 -0.321 -10.240 0.147 1.00 0.48 N ATOM 205 CA ILE A 13 0.184 -9.933 -1.155 1.00 0.55 C ATOM 206 C ILE A 13 1.619 -9.537 -1.095 1.00 0.51 C ATOM 207 O ILE A 13 2.063 -8.912 -0.133 1.00 0.56 O ATOM 208 CB ILE A 13 -0.624 -8.804 -1.723 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.133 -9.102 -1.698 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.201 -8.544 -3.179 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.036 -7.949 -2.134 1.00 1.55 C ATOM 0 H ILE A 13 -0.437 -9.412 0.732 1.00 0.48 H new ATOM 0 HA ILE A 13 0.105 -10.819 -1.786 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.436 -7.928 -1.102 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.328 -9.958 -2.344 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.411 -9.396 -0.686 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.790 -7.723 -3.588 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.857 -8.282 -3.209 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.369 -9.442 -3.773 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.078 -8.263 -2.080 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.880 -7.095 -1.475 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.795 -7.665 -3.158 1.00 1.55 H new ATOM 223 N THR A 14 2.458 -9.949 -2.062 1.00 0.55 N ATOM 224 CA THR A 14 3.840 -9.583 -2.091 1.00 0.54 C ATOM 225 C THR A 14 4.057 -8.783 -3.330 1.00 0.55 C ATOM 226 O THR A 14 3.434 -9.100 -4.342 1.00 0.72 O ATOM 227 CB THR A 14 4.744 -10.776 -1.992 1.00 0.67 C ATOM 228 OG1 THR A 14 4.497 -11.661 -0.910 1.00 1.08 O ATOM 229 CG2 THR A 14 6.226 -10.388 -1.863 1.00 1.03 C ATOM 0 H THR A 14 2.172 -10.547 -2.837 1.00 0.55 H new ATOM 0 HA THR A 14 4.095 -8.981 -1.219 1.00 0.54 H new ATOM 0 HB THR A 14 4.519 -11.285 -2.929 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.138 -12.401 -0.940 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.834 -11.290 -1.795 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.529 -9.812 -2.737 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.368 -9.787 -0.965 1.00 1.03 H new ATOM 237 N LEU A 15 4.815 -7.674 -3.280 1.00 0.50 N ATOM 238 CA LEU A 15 5.092 -6.814 -4.388 1.00 0.55 C ATOM 239 C LEU A 15 6.528 -6.419 -4.443 1.00 0.52 C ATOM 240 O LEU A 15 7.140 -6.217 -3.395 1.00 0.58 O ATOM 241 CB LEU A 15 4.287 -5.514 -4.219 1.00 0.69 C ATOM 242 CG LEU A 15 2.749 -5.524 -4.204 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.213 -4.096 -4.013 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.127 -6.178 -5.451 1.00 1.55 C ATOM 0 H LEU A 15 5.260 -7.360 -2.417 1.00 0.50 H new ATOM 0 HA LEU A 15 4.828 -7.358 -5.295 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.611 -5.059 -3.283 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.593 -4.844 -5.022 1.00 0.69 H new ATOM 0 HG LEU A 15 2.449 -6.144 -3.359 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.123 -4.115 -4.004 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.577 -3.694 -3.067 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.558 -3.465 -4.832 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.040 -6.150 -5.373 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.441 -5.634 -6.342 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.459 -7.214 -5.523 1.00 1.55 H new ATOM 256 N GLU A 16 7.121 -6.280 -5.643 1.00 0.59 N ATOM 257 CA GLU A 16 8.418 -5.686 -5.742 1.00 0.63 C ATOM 258 C GLU A 16 8.321 -4.224 -6.009 1.00 0.65 C ATOM 259 O GLU A 16 7.757 -3.820 -7.024 1.00 0.81 O ATOM 260 CB GLU A 16 9.285 -6.234 -6.887 1.00 0.76 C ATOM 261 CG GLU A 16 9.610 -7.718 -6.712 1.00 1.41 C ATOM 262 CD GLU A 16 9.849 -8.328 -8.086 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.853 -8.458 -8.847 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.988 -8.711 -8.462 1.00 1.95 O ATOM 0 H GLU A 16 6.711 -6.573 -6.530 1.00 0.59 H new ATOM 0 HA GLU A 16 8.876 -5.922 -4.782 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.766 -6.088 -7.834 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.213 -5.665 -6.941 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.493 -7.840 -6.085 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.789 -8.228 -6.209 1.00 1.41 H new ATOM 271 N VAL A 17 8.783 -3.360 -5.086 1.00 0.61 N ATOM 272 CA VAL A 17 8.771 -1.940 -5.252 1.00 0.63 C ATOM 273 C VAL A 17 10.223 -1.611 -5.192 1.00 0.65 C ATOM 274 O VAL A 17 11.070 -2.450 -4.892 1.00 0.76 O ATOM 275 CB VAL A 17 8.059 -1.060 -4.269 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.560 -1.288 -4.527 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.427 -1.514 -2.846 1.00 0.92 C ATOM 0 H VAL A 17 9.178 -3.661 -4.195 1.00 0.61 H new ATOM 0 HA VAL A 17 8.203 -1.733 -6.159 1.00 0.63 H new ATOM 0 HB VAL A 17 8.325 -0.008 -4.373 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.975 -0.674 -3.842 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.322 -1.012 -5.554 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.319 -2.339 -4.368 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.916 -0.883 -2.119 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.121 -2.551 -2.704 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.505 -1.431 -2.705 1.00 0.92 H new ATOM 287 N GLU A 18 10.595 -0.344 -5.452 1.00 0.68 N ATOM 288 CA GLU A 18 11.907 0.153 -5.175 1.00 0.74 C ATOM 289 C GLU A 18 11.665 1.240 -4.184 1.00 0.71 C ATOM 290 O GLU A 18 10.598 1.843 -4.084 1.00 0.74 O ATOM 291 CB GLU A 18 12.717 0.528 -6.427 1.00 0.88 C ATOM 292 CG GLU A 18 13.060 -0.703 -7.269 1.00 1.16 C ATOM 293 CD GLU A 18 14.167 -1.586 -6.712 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.215 -1.122 -6.185 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.998 -2.833 -6.751 1.00 2.33 O ATOM 0 H GLU A 18 9.970 0.350 -5.863 1.00 0.68 H new ATOM 0 HA GLU A 18 12.575 -0.602 -4.761 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.147 1.235 -7.031 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.636 1.032 -6.128 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.160 -1.307 -7.383 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.350 -0.371 -8.266 1.00 1.16 H new ATOM 302 N PRO A 19 12.617 1.675 -3.414 1.00 0.74 N ATOM 303 CA PRO A 19 12.434 2.614 -2.345 1.00 0.74 C ATOM 304 C PRO A 19 11.995 3.990 -2.713 1.00 0.70 C ATOM 305 O PRO A 19 11.501 4.665 -1.812 1.00 0.74 O ATOM 306 CB PRO A 19 13.798 2.701 -1.664 1.00 0.86 C ATOM 307 CG PRO A 19 14.703 1.556 -2.148 1.00 0.95 C ATOM 308 CD PRO A 19 13.914 1.017 -3.351 1.00 0.82 C ATOM 0 HA PRO A 19 11.614 2.246 -1.728 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.263 3.661 -1.886 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.677 2.647 -0.582 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.693 1.911 -2.434 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.847 0.796 -1.380 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.469 1.194 -4.272 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.783 -0.061 -3.260 1.00 0.82 H new ATOM 316 N SER A 20 12.165 4.363 -3.994 1.00 0.70 N ATOM 317 CA SER A 20 11.808 5.675 -4.438 1.00 0.74 C ATOM 318 C SER A 20 10.530 5.561 -5.196 1.00 0.71 C ATOM 319 O SER A 20 10.233 6.438 -6.006 1.00 0.80 O ATOM 320 CB SER A 20 12.938 6.286 -5.284 1.00 0.89 C ATOM 321 OG SER A 20 14.241 6.231 -4.722 1.00 1.45 O ATOM 0 H SER A 20 12.548 3.758 -4.721 1.00 0.70 H new ATOM 0 HA SER A 20 11.665 6.349 -3.593 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.959 5.777 -6.248 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.693 7.330 -5.480 1.00 0.89 H new ATOM 0 HG SER A 20 14.881 6.643 -5.339 1.00 1.45 H new ATOM 327 N ASP A 21 9.793 4.458 -4.974 1.00 0.70 N ATOM 328 CA ASP A 21 8.468 4.314 -5.492 1.00 0.73 C ATOM 329 C ASP A 21 7.430 4.987 -4.661 1.00 0.64 C ATOM 330 O ASP A 21 7.462 4.910 -3.434 1.00 0.66 O ATOM 331 CB ASP A 21 8.055 2.840 -5.649 1.00 0.87 C ATOM 332 CG ASP A 21 8.867 2.148 -6.734 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.603 2.877 -7.452 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.616 0.932 -6.948 1.00 1.50 O ATOM 0 H ASP A 21 10.119 3.659 -4.430 1.00 0.70 H new ATOM 0 HA ASP A 21 8.514 4.798 -6.468 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.193 2.319 -4.701 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.994 2.782 -5.893 1.00 0.87 H new ATOM 339 N THR A 22 6.458 5.595 -5.363 1.00 0.63 N ATOM 340 CA THR A 22 5.328 6.198 -4.726 1.00 0.58 C ATOM 341 C THR A 22 4.275 5.219 -4.333 1.00 0.53 C ATOM 342 O THR A 22 4.115 4.117 -4.858 1.00 0.58 O ATOM 343 CB THR A 22 4.753 7.397 -5.418 1.00 0.63 C ATOM 344 OG1 THR A 22 4.237 6.994 -6.677 1.00 0.70 O ATOM 345 CG2 THR A 22 5.904 8.392 -5.637 1.00 0.75 C ATOM 0 H THR A 22 6.455 5.670 -6.380 1.00 0.63 H new ATOM 0 HA THR A 22 5.757 6.596 -3.806 1.00 0.58 H new ATOM 0 HB THR A 22 3.956 7.850 -4.829 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.857 7.770 -7.138 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.525 9.282 -6.140 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.330 8.673 -4.674 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.674 7.927 -6.253 1.00 0.75 H new ATOM 353 N ILE A 23 3.487 5.645 -3.331 1.00 0.51 N ATOM 354 CA ILE A 23 2.341 4.958 -2.822 1.00 0.48 C ATOM 355 C ILE A 23 1.321 4.730 -3.884 1.00 0.48 C ATOM 356 O ILE A 23 0.767 3.642 -4.036 1.00 0.51 O ATOM 357 CB ILE A 23 1.809 5.601 -1.575 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.928 5.911 -0.567 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.798 4.661 -0.897 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.832 4.739 -0.187 1.00 0.73 C ATOM 0 H ILE A 23 3.662 6.525 -2.846 1.00 0.51 H new ATOM 0 HA ILE A 23 2.654 3.962 -2.509 1.00 0.48 H new ATOM 0 HB ILE A 23 1.335 6.537 -1.871 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.551 6.705 -0.979 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.472 6.302 0.343 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.414 5.132 0.008 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.027 4.461 -1.580 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.290 3.724 -0.638 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.583 5.075 0.528 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.232 3.947 0.262 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.327 4.357 -1.080 1.00 0.73 H new ATOM 372 N GLU A 24 1.084 5.726 -4.756 1.00 0.50 N ATOM 373 CA GLU A 24 0.321 5.562 -5.955 1.00 0.53 C ATOM 374 C GLU A 24 0.671 4.360 -6.765 1.00 0.50 C ATOM 375 O GLU A 24 -0.252 3.645 -7.153 1.00 0.55 O ATOM 376 CB GLU A 24 0.402 6.824 -6.830 1.00 0.64 C ATOM 377 CG GLU A 24 -0.533 6.731 -8.038 1.00 0.95 C ATOM 378 CD GLU A 24 -0.628 8.021 -8.840 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.421 8.674 -9.081 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.807 8.405 -9.058 1.00 1.56 O ATOM 0 H GLU A 24 1.434 6.675 -4.623 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.702 5.401 -5.613 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.142 7.699 -6.234 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.427 6.965 -7.172 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.187 5.931 -8.693 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.529 6.453 -7.694 1.00 0.95 H new ATOM 387 N ASN A 25 1.960 4.051 -6.988 1.00 0.51 N ATOM 388 CA ASN A 25 2.430 2.929 -7.738 1.00 0.52 C ATOM 389 C ASN A 25 2.201 1.653 -7.003 1.00 0.47 C ATOM 390 O ASN A 25 1.729 0.677 -7.584 1.00 0.53 O ATOM 391 CB ASN A 25 3.946 3.034 -7.974 1.00 0.64 C ATOM 392 CG ASN A 25 4.251 3.980 -9.127 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.603 5.015 -9.280 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.149 3.537 -10.045 1.00 1.57 N ATOM 0 H ASN A 25 2.722 4.621 -6.621 1.00 0.51 H new ATOM 0 HA ASN A 25 1.882 2.932 -8.680 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.436 3.389 -7.067 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.354 2.047 -8.191 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.307 4.068 -10.901 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.665 2.673 -9.878 1.00 1.57 H new ATOM 401 N VAL A 26 2.308 1.589 -5.664 1.00 0.45 N ATOM 402 CA VAL A 26 1.897 0.524 -4.802 1.00 0.44 C ATOM 403 C VAL A 26 0.447 0.190 -4.892 1.00 0.40 C ATOM 404 O VAL A 26 0.070 -0.979 -4.955 1.00 0.44 O ATOM 405 CB VAL A 26 2.369 0.664 -3.386 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.207 -0.655 -2.611 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.859 1.045 -3.387 1.00 0.62 C ATOM 0 H VAL A 26 2.722 2.357 -5.136 1.00 0.45 H new ATOM 0 HA VAL A 26 2.421 -0.345 -5.200 1.00 0.44 H new ATOM 0 HB VAL A 26 1.768 1.434 -2.902 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.558 -0.521 -1.588 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.156 -0.943 -2.599 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.792 -1.436 -3.096 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.209 1.148 -2.360 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.433 0.266 -3.889 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.992 1.990 -3.913 1.00 0.62 H new ATOM 417 N LYS A 27 -0.478 1.166 -4.890 1.00 0.40 N ATOM 418 CA LYS A 27 -1.864 0.962 -5.176 1.00 0.41 C ATOM 419 C LYS A 27 -2.070 0.542 -6.591 1.00 0.38 C ATOM 420 O LYS A 27 -2.924 -0.332 -6.738 1.00 0.42 O ATOM 421 CB LYS A 27 -2.730 2.147 -4.717 1.00 0.51 C ATOM 422 CG LYS A 27 -2.462 2.522 -3.258 1.00 0.76 C ATOM 423 CD LYS A 27 -3.313 3.736 -2.882 1.00 0.82 C ATOM 424 CE LYS A 27 -3.078 5.085 -3.564 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.156 6.076 -3.347 1.00 1.11 N ATOM 0 H LYS A 27 -0.251 2.138 -4.680 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.220 0.124 -4.577 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.533 3.009 -5.355 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.783 1.895 -4.839 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.699 1.682 -2.605 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.405 2.747 -3.117 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.355 3.465 -3.053 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.196 3.892 -1.810 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.139 5.503 -3.202 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.962 4.921 -4.635 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.295 6.633 -4.214 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -5.039 5.582 -3.108 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.892 6.711 -2.567 1.00 1.11 H new ATOM 439 N ALA A 28 -1.325 0.998 -7.614 1.00 0.39 N ATOM 440 CA ALA A 28 -1.480 0.498 -8.946 1.00 0.39 C ATOM 441 C ALA A 28 -1.032 -0.919 -9.054 1.00 0.36 C ATOM 442 O ALA A 28 -1.536 -1.649 -9.905 1.00 0.42 O ATOM 443 CB ALA A 28 -0.758 1.346 -10.006 1.00 0.51 C ATOM 0 H ALA A 28 -0.610 1.719 -7.518 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.549 0.559 -9.151 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.918 0.909 -10.992 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.153 2.362 -9.990 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.310 1.369 -9.788 1.00 0.51 H new ATOM 449 N LYS A 29 -0.065 -1.382 -8.241 1.00 0.39 N ATOM 450 CA LYS A 29 0.321 -2.756 -8.143 1.00 0.43 C ATOM 451 C LYS A 29 -0.736 -3.645 -7.587 1.00 0.44 C ATOM 452 O LYS A 29 -0.799 -4.828 -7.920 1.00 0.54 O ATOM 453 CB LYS A 29 1.658 -2.933 -7.403 1.00 0.54 C ATOM 454 CG LYS A 29 2.795 -2.318 -8.222 1.00 0.65 C ATOM 455 CD LYS A 29 4.112 -2.286 -7.445 1.00 1.08 C ATOM 456 CE LYS A 29 5.328 -1.945 -8.309 1.00 1.24 C ATOM 457 NZ LYS A 29 5.438 -2.906 -9.430 1.00 1.44 N ATOM 0 H LYS A 29 0.471 -0.771 -7.625 1.00 0.39 H new ATOM 0 HA LYS A 29 0.466 -3.081 -9.173 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.606 -2.458 -6.423 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.852 -3.992 -7.234 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.930 -2.890 -9.140 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.523 -1.304 -8.515 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.032 -1.554 -6.641 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.271 -3.257 -6.977 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.236 -0.930 -8.697 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.234 -1.974 -7.704 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.409 -2.895 -9.803 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.208 -3.862 -9.092 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.775 -2.637 -10.184 1.00 1.44 H new ATOM 471 N ILE A 30 -1.718 -3.117 -6.836 1.00 0.41 N ATOM 472 CA ILE A 30 -2.910 -3.768 -6.387 1.00 0.44 C ATOM 473 C ILE A 30 -3.899 -3.615 -7.490 1.00 0.45 C ATOM 474 O ILE A 30 -4.758 -4.482 -7.645 1.00 0.56 O ATOM 475 CB ILE A 30 -3.324 -3.244 -5.044 1.00 0.45 C ATOM 476 CG1 ILE A 30 -2.197 -3.561 -4.046 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.685 -3.824 -4.624 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.796 -5.029 -3.907 1.00 1.32 C ATOM 0 H ILE A 30 -1.673 -2.150 -6.516 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.784 -4.834 -6.200 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.467 -2.164 -5.075 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.314 -2.993 -4.339 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -2.499 -3.196 -3.064 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.963 -3.429 -3.647 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.442 -3.544 -5.357 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.616 -4.910 -4.570 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.994 -5.119 -3.175 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.656 -5.611 -3.576 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -1.452 -5.405 -4.871 1.00 1.32 H new ATOM 490 N GLN A 31 -3.895 -2.657 -8.435 1.00 0.41 N ATOM 491 CA GLN A 31 -4.837 -2.723 -9.508 1.00 0.48 C ATOM 492 C GLN A 31 -4.429 -3.734 -10.524 1.00 0.52 C ATOM 493 O GLN A 31 -5.256 -4.327 -11.214 1.00 0.66 O ATOM 494 CB GLN A 31 -4.849 -1.344 -10.188 1.00 0.52 C ATOM 495 CG GLN A 31 -5.758 -1.117 -11.396 1.00 0.70 C ATOM 496 CD GLN A 31 -5.358 0.239 -11.962 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.690 1.063 -11.337 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.904 0.606 -13.152 1.00 1.43 N ATOM 0 H GLN A 31 -3.260 -1.859 -8.458 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.814 -3.002 -9.114 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.119 -0.607 -9.431 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.828 -1.123 -10.499 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.628 -1.905 -12.138 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.808 -1.125 -11.103 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -6.461 -0.062 -13.685 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.757 1.549 -13.511 1.00 1.43 H new ATOM 507 N ASP A 32 -3.118 -4.035 -10.552 1.00 0.50 N ATOM 508 CA ASP A 32 -2.620 -5.161 -11.280 1.00 0.60 C ATOM 509 C ASP A 32 -2.889 -6.482 -10.645 1.00 0.65 C ATOM 510 O ASP A 32 -3.188 -7.476 -11.304 1.00 0.81 O ATOM 511 CB ASP A 32 -1.099 -5.008 -11.445 1.00 0.67 C ATOM 512 CG ASP A 32 -0.601 -5.854 -12.608 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.772 -5.452 -13.790 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.081 -6.882 -12.350 1.00 1.51 O ATOM 0 H ASP A 32 -2.400 -3.496 -10.068 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.150 -5.161 -12.233 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.849 -3.961 -11.616 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.595 -5.310 -10.526 1.00 0.67 H new ATOM 519 N LYS A 33 -2.743 -6.526 -9.308 1.00 0.62 N ATOM 520 CA LYS A 33 -2.998 -7.745 -8.606 1.00 0.73 C ATOM 521 C LYS A 33 -4.405 -7.988 -8.181 1.00 0.69 C ATOM 522 O LYS A 33 -4.998 -8.968 -8.630 1.00 0.83 O ATOM 523 CB LYS A 33 -2.025 -7.745 -7.414 1.00 0.85 C ATOM 524 CG LYS A 33 -1.581 -9.032 -6.718 1.00 1.31 C ATOM 525 CD LYS A 33 -2.554 -9.729 -5.765 1.00 1.71 C ATOM 526 CE LYS A 33 -2.441 -11.249 -5.622 1.00 2.26 C ATOM 527 NZ LYS A 33 -3.728 -11.795 -5.136 1.00 2.62 N ATOM 0 H LYS A 33 -2.456 -5.739 -8.726 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.837 -8.577 -9.292 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.118 -7.244 -7.751 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.472 -7.113 -6.646 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.308 -9.749 -7.493 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.674 -8.808 -6.157 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -2.429 -9.288 -4.776 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -3.568 -9.497 -6.091 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -2.183 -11.697 -6.581 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -1.641 -11.501 -4.926 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 -3.547 -12.510 -4.403 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -4.302 -11.026 -4.736 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -4.240 -12.233 -5.928 1.00 2.62 H new ATOM 541 N GLU A 34 -4.981 -7.202 -7.254 1.00 0.63 N ATOM 542 CA GLU A 34 -6.268 -7.580 -6.757 1.00 0.67 C ATOM 543 C GLU A 34 -7.324 -7.116 -7.699 1.00 0.69 C ATOM 544 O GLU A 34 -8.351 -7.756 -7.920 1.00 0.95 O ATOM 545 CB GLU A 34 -6.477 -7.070 -5.321 1.00 0.73 C ATOM 546 CG GLU A 34 -5.843 -7.929 -4.225 1.00 0.83 C ATOM 547 CD GLU A 34 -6.422 -9.322 -4.025 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.593 -9.397 -3.566 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.592 -10.269 -4.077 1.00 1.37 O ATOM 0 H GLU A 34 -4.582 -6.348 -6.864 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.334 -8.667 -6.701 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.072 -6.061 -5.249 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.548 -6.998 -5.130 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.780 -8.031 -4.445 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.923 -7.389 -3.281 1.00 0.83 H new ATOM 556 N GLY A 35 -7.151 -5.984 -8.406 1.00 0.63 N ATOM 557 CA GLY A 35 -8.107 -5.384 -9.283 1.00 0.68 C ATOM 558 C GLY A 35 -8.922 -4.307 -8.652 1.00 0.76 C ATOM 559 O GLY A 35 -10.111 -4.232 -8.955 1.00 1.12 O ATOM 0 H GLY A 35 -6.282 -5.452 -8.360 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.584 -4.971 -10.145 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.776 -6.159 -9.658 1.00 0.68 H new ATOM 563 N ILE A 36 -8.237 -3.451 -7.874 1.00 0.70 N ATOM 564 CA ILE A 36 -8.928 -2.447 -7.128 1.00 0.76 C ATOM 565 C ILE A 36 -8.295 -1.225 -7.700 1.00 0.71 C ATOM 566 O ILE A 36 -7.084 -1.177 -7.908 1.00 0.73 O ATOM 567 CB ILE A 36 -8.853 -2.630 -5.641 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.418 -4.017 -5.291 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.670 -1.520 -4.960 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.429 -4.204 -3.774 1.00 1.16 C ATOM 0 H ILE A 36 -7.223 -3.452 -7.762 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.014 -2.442 -7.225 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.822 -2.567 -5.293 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.429 -4.118 -5.686 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.813 -4.794 -5.758 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.622 -1.644 -3.878 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.260 -0.547 -5.232 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.708 -1.580 -5.286 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.830 -5.188 -3.532 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.412 -4.122 -3.390 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -10.053 -3.435 -3.317 1.00 1.16 H new ATOM 582 N PRO A 37 -8.967 -0.161 -8.026 1.00 0.75 N ATOM 583 CA PRO A 37 -8.327 1.027 -8.512 1.00 0.79 C ATOM 584 C PRO A 37 -7.496 1.725 -7.490 1.00 0.75 C ATOM 585 O PRO A 37 -7.785 1.678 -6.295 1.00 0.75 O ATOM 586 CB PRO A 37 -9.421 2.001 -8.941 1.00 0.95 C ATOM 587 CG PRO A 37 -10.631 1.103 -9.242 1.00 1.02 C ATOM 588 CD PRO A 37 -10.363 -0.179 -8.439 1.00 0.85 C ATOM 0 HA PRO A 37 -7.666 0.723 -9.324 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.645 2.720 -8.153 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.122 2.574 -9.819 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.564 1.577 -8.935 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.715 0.894 -10.308 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.018 -0.229 -7.569 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.571 -1.060 -9.046 1.00 0.85 H new ATOM 596 N PRO A 38 -6.490 2.439 -7.899 1.00 0.81 N ATOM 597 CA PRO A 38 -5.615 2.982 -6.903 1.00 0.85 C ATOM 598 C PRO A 38 -6.220 4.188 -6.271 1.00 0.89 C ATOM 599 O PRO A 38 -5.755 4.698 -5.254 1.00 0.99 O ATOM 600 CB PRO A 38 -4.409 3.402 -7.739 1.00 1.01 C ATOM 601 CG PRO A 38 -4.911 3.716 -9.157 1.00 1.25 C ATOM 602 CD PRO A 38 -6.165 2.833 -9.261 1.00 0.98 C ATOM 0 HA PRO A 38 -5.391 2.286 -6.095 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -3.926 4.276 -7.302 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.665 2.606 -7.764 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.146 4.773 -9.281 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.171 3.463 -9.916 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.991 3.379 -9.717 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.977 1.960 -9.886 1.00 0.98 H new ATOM 610 N ASP A 39 -7.296 4.745 -6.855 1.00 0.96 N ATOM 611 CA ASP A 39 -8.116 5.780 -6.309 1.00 1.11 C ATOM 612 C ASP A 39 -8.993 5.329 -5.192 1.00 1.00 C ATOM 613 O ASP A 39 -9.164 6.035 -4.199 1.00 1.14 O ATOM 614 CB ASP A 39 -8.907 6.372 -7.488 1.00 1.39 C ATOM 615 CG ASP A 39 -9.723 7.619 -7.183 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.342 8.472 -6.337 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.819 7.763 -7.787 1.00 2.25 O ATOM 0 H ASP A 39 -7.615 4.448 -7.777 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.491 6.539 -5.838 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -8.206 6.607 -8.289 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.581 5.605 -7.870 1.00 1.39 H new ATOM 622 N GLN A 40 -9.584 4.122 -5.226 1.00 0.87 N ATOM 623 CA GLN A 40 -10.410 3.602 -4.181 1.00 0.84 C ATOM 624 C GLN A 40 -9.603 3.276 -2.972 1.00 0.67 C ATOM 625 O GLN A 40 -10.172 3.279 -1.881 1.00 0.80 O ATOM 626 CB GLN A 40 -11.232 2.376 -4.616 1.00 0.95 C ATOM 627 CG GLN A 40 -12.223 1.993 -3.516 1.00 1.32 C ATOM 628 CD GLN A 40 -13.064 0.786 -3.910 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.569 -0.236 -4.383 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.406 1.009 -3.878 1.00 2.02 N ATOM 0 H GLN A 40 -9.482 3.482 -6.014 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.120 4.392 -3.936 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.768 2.596 -5.539 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.567 1.538 -4.826 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.679 1.773 -2.597 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.877 2.839 -3.305 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.770 1.873 -3.475 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.048 0.313 -4.257 1.00 2.02 H new ATOM 639 N GLN A 41 -8.299 2.986 -3.126 1.00 0.56 N ATOM 640 CA GLN A 41 -7.377 2.494 -2.149 1.00 0.51 C ATOM 641 C GLN A 41 -6.650 3.529 -1.362 1.00 0.49 C ATOM 642 O GLN A 41 -6.226 4.573 -1.853 1.00 0.65 O ATOM 643 CB GLN A 41 -6.419 1.556 -2.902 1.00 0.67 C ATOM 644 CG GLN A 41 -6.971 0.309 -3.595 1.00 0.69 C ATOM 645 CD GLN A 41 -5.745 -0.287 -4.271 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.651 -0.433 -3.725 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.803 -0.473 -5.616 1.00 0.61 N ATOM 0 H GLN A 41 -7.845 3.110 -4.031 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.940 1.977 -1.372 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.909 2.151 -3.659 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.661 1.226 -2.192 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.414 -0.385 -2.881 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.747 0.561 -4.318 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.689 -0.362 -6.108 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.960 -0.724 -6.133 1.00 0.61 H new ATOM 656 N ARG A 42 -6.437 3.197 -0.075 1.00 0.47 N ATOM 657 CA ARG A 42 -5.519 3.998 0.675 1.00 0.55 C ATOM 658 C ARG A 42 -4.584 3.082 1.385 1.00 0.46 C ATOM 659 O ARG A 42 -5.057 2.002 1.733 1.00 0.52 O ATOM 660 CB ARG A 42 -6.102 4.986 1.699 1.00 0.73 C ATOM 661 CG ARG A 42 -7.100 5.985 1.110 1.00 1.04 C ATOM 662 CD ARG A 42 -6.855 7.374 1.703 1.00 1.28 C ATOM 663 NE ARG A 42 -5.683 7.947 0.983 1.00 1.69 N ATOM 664 CZ ARG A 42 -4.826 8.812 1.599 1.00 2.19 C ATOM 665 NH1 ARG A 42 -4.807 9.012 2.950 1.00 2.34 N ATOM 666 NH2 ARG A 42 -3.917 9.571 0.920 1.00 2.78 N ATOM 0 H ARG A 42 -6.872 2.421 0.424 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.046 4.639 -0.069 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.594 4.422 2.491 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.283 5.537 2.162 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.997 6.019 0.025 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.119 5.663 1.323 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.733 8.008 1.579 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.658 7.309 2.773 1.00 1.28 H new ATOM 0 HE ARG A 42 -5.518 7.688 0.010 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -5.455 8.502 3.550 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -4.145 9.671 3.359 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -3.856 9.506 -0.096 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -3.299 10.203 1.429 1.00 2.78 H new ATOM 680 N LEU A 43 -3.312 3.385 1.701 1.00 0.46 N ATOM 681 CA LEU A 43 -2.406 2.595 2.476 1.00 0.42 C ATOM 682 C LEU A 43 -2.232 3.197 3.827 1.00 0.43 C ATOM 683 O LEU A 43 -2.150 4.414 3.986 1.00 0.55 O ATOM 684 CB LEU A 43 -1.058 2.274 1.806 1.00 0.55 C ATOM 685 CG LEU A 43 -1.305 1.247 0.689 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.343 1.277 -0.512 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.469 -0.196 1.194 1.00 1.12 C ATOM 0 H LEU A 43 -2.883 4.256 1.387 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.876 1.616 2.568 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.613 3.181 1.396 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.355 1.876 2.538 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.261 1.600 0.302 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.628 0.504 -1.226 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.394 2.253 -0.995 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.675 1.096 -0.167 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.640 -0.861 0.347 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.564 -0.503 1.719 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.319 -0.249 1.874 1.00 1.12 H new ATOM 699 N ILE A 44 -2.198 2.331 4.857 1.00 0.42 N ATOM 700 CA ILE A 44 -1.887 2.654 6.214 1.00 0.46 C ATOM 701 C ILE A 44 -0.589 1.989 6.517 1.00 0.42 C ATOM 702 O ILE A 44 -0.259 0.873 6.122 1.00 0.53 O ATOM 703 CB ILE A 44 -3.002 2.124 7.066 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.290 2.956 6.941 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.589 1.878 8.527 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.334 2.438 7.928 1.00 1.27 C ATOM 0 H ILE A 44 -2.402 1.340 4.731 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.794 3.724 6.400 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.236 1.139 6.663 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.077 4.006 7.140 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.676 2.896 5.923 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.442 1.495 9.087 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.778 1.150 8.558 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.253 2.814 8.973 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.245 3.029 7.837 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.556 1.394 7.708 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.947 2.521 8.944 1.00 1.27 H new ATOM 718 N PHE A 45 0.238 2.630 7.362 1.00 0.42 N ATOM 719 CA PHE A 45 1.473 2.102 7.856 1.00 0.46 C ATOM 720 C PHE A 45 1.840 2.978 9.004 1.00 0.68 C ATOM 721 O PHE A 45 1.676 4.191 9.107 1.00 1.50 O ATOM 722 CB PHE A 45 2.538 1.866 6.773 1.00 0.56 C ATOM 723 CG PHE A 45 3.821 1.355 7.334 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.934 0.073 7.819 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.905 2.169 7.565 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.053 -0.409 8.454 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.100 1.736 8.090 1.00 1.33 C ATOM 728 CZ PHE A 45 6.150 0.419 8.483 1.00 1.02 C ATOM 0 H PHE A 45 0.035 3.564 7.719 1.00 0.42 H new ATOM 0 HA PHE A 45 1.376 1.077 8.212 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.156 1.154 6.042 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.724 2.799 6.242 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.094 -0.594 7.693 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.812 3.216 7.318 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.070 -1.389 8.908 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.951 2.393 8.188 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.091 0.018 8.829 1.00 1.02 H new ATOM 738 N ALA A 46 2.302 2.349 10.100 1.00 0.81 N ATOM 739 CA ALA A 46 2.653 2.961 11.345 1.00 0.96 C ATOM 740 C ALA A 46 1.498 3.571 12.061 1.00 0.97 C ATOM 741 O ALA A 46 1.690 4.392 12.957 1.00 1.21 O ATOM 742 CB ALA A 46 3.855 3.918 11.285 1.00 1.20 C ATOM 0 H ALA A 46 2.440 1.338 10.116 1.00 0.81 H new ATOM 0 HA ALA A 46 2.988 2.115 11.945 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.042 4.330 12.277 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.737 3.374 10.946 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.640 4.729 10.589 1.00 1.20 H new ATOM 748 N GLY A 47 0.238 3.204 11.767 1.00 0.99 N ATOM 749 CA GLY A 47 -0.897 3.836 12.367 1.00 1.10 C ATOM 750 C GLY A 47 -1.448 4.966 11.569 1.00 1.03 C ATOM 751 O GLY A 47 -2.568 5.430 11.781 1.00 1.30 O ATOM 0 H GLY A 47 0.003 2.462 11.107 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.680 3.092 12.514 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.617 4.203 13.354 1.00 1.10 H new ATOM 755 N LYS A 48 -0.643 5.584 10.687 1.00 0.98 N ATOM 756 CA LYS A 48 -1.005 6.633 9.785 1.00 1.05 C ATOM 757 C LYS A 48 -1.443 6.345 8.390 1.00 0.84 C ATOM 758 O LYS A 48 -1.133 5.263 7.894 1.00 0.81 O ATOM 759 CB LYS A 48 0.197 7.569 9.568 1.00 1.42 C ATOM 760 CG LYS A 48 0.954 8.121 10.777 1.00 1.61 C ATOM 761 CD LYS A 48 0.154 9.037 11.706 1.00 1.87 C ATOM 762 CE LYS A 48 1.069 9.870 12.607 1.00 2.22 C ATOM 763 NZ LYS A 48 0.269 10.935 13.251 1.00 2.55 N ATOM 0 H LYS A 48 0.340 5.328 10.599 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.881 7.010 10.313 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.918 7.036 8.948 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.154 8.421 8.987 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.328 7.281 11.361 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.823 8.671 10.417 1.00 1.61 H new ATOM 0 HD2 LYS A 48 -0.473 9.701 11.111 1.00 1.87 H new ATOM 0 HD3 LYS A 48 -0.514 8.436 12.323 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.531 9.236 13.364 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.877 10.308 12.021 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 0.883 11.507 13.866 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 -0.152 11.543 12.520 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 -0.487 10.505 13.821 1.00 2.55 H new ATOM 777 N GLN A 49 -2.187 7.271 7.759 1.00 0.84 N ATOM 778 CA GLN A 49 -2.489 7.032 6.381 1.00 0.80 C ATOM 779 C GLN A 49 -1.505 7.709 5.491 1.00 0.72 C ATOM 780 O GLN A 49 -1.126 8.858 5.709 1.00 0.83 O ATOM 781 CB GLN A 49 -3.893 7.599 6.113 1.00 1.03 C ATOM 782 CG GLN A 49 -5.059 6.650 6.392 1.00 1.67 C ATOM 783 CD GLN A 49 -6.366 7.363 6.072 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.354 8.413 5.431 1.00 2.24 O ATOM 785 NE2 GLN A 49 -7.486 6.883 6.677 1.00 2.48 N ATOM 0 H GLN A 49 -2.558 8.129 8.167 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.444 5.963 6.174 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.025 8.494 6.721 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.945 7.911 5.070 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.964 5.749 5.787 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -5.047 6.336 7.436 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -7.448 6.007 7.198 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -8.363 7.399 6.609 1.00 2.48 H new ATOM 794 N LEU A 50 -0.994 7.001 4.468 1.00 0.69 N ATOM 795 CA LEU A 50 0.061 7.442 3.608 1.00 0.66 C ATOM 796 C LEU A 50 -0.409 8.354 2.528 1.00 0.72 C ATOM 797 O LEU A 50 -1.421 8.072 1.889 1.00 0.90 O ATOM 798 CB LEU A 50 0.880 6.241 3.105 1.00 0.65 C ATOM 799 CG LEU A 50 1.283 5.257 4.216 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.221 4.154 3.698 1.00 0.77 C ATOM 801 CD2 LEU A 50 1.991 5.816 5.462 1.00 0.74 C ATOM 0 H LEU A 50 -1.336 6.070 4.228 1.00 0.69 H new ATOM 0 HA LEU A 50 0.738 8.062 4.195 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.300 5.707 2.352 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.781 6.608 2.613 1.00 0.65 H new ATOM 0 HG LEU A 50 0.296 4.908 4.520 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.480 3.482 4.517 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.720 3.591 2.911 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.129 4.606 3.299 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.210 5.001 6.152 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.921 6.300 5.165 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.344 6.543 5.953 1.00 0.74 H new ATOM 813 N GLU A 51 0.306 9.475 2.326 1.00 0.70 N ATOM 814 CA GLU A 51 0.054 10.296 1.182 1.00 0.76 C ATOM 815 C GLU A 51 0.446 9.567 -0.056 1.00 0.77 C ATOM 816 O GLU A 51 1.351 8.734 -0.069 1.00 1.23 O ATOM 817 CB GLU A 51 0.773 11.655 1.214 1.00 0.88 C ATOM 818 CG GLU A 51 0.352 12.569 2.367 1.00 1.35 C ATOM 819 CD GLU A 51 -1.131 12.900 2.438 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.828 13.285 1.461 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.659 12.842 3.581 1.00 1.94 O ATOM 0 H GLU A 51 1.046 9.809 2.943 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.015 10.508 1.195 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.847 11.482 1.278 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.589 12.171 0.272 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.646 12.099 3.305 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.910 13.502 2.290 1.00 1.35 H new ATOM 828 N ASP A 52 -0.365 9.785 -1.106 1.00 0.66 N ATOM 829 CA ASP A 52 -0.319 9.016 -2.310 1.00 0.65 C ATOM 830 C ASP A 52 0.840 9.434 -3.149 1.00 0.60 C ATOM 831 O ASP A 52 1.667 8.641 -3.597 1.00 0.62 O ATOM 832 CB ASP A 52 -1.604 9.143 -3.146 1.00 0.81 C ATOM 833 CG ASP A 52 -2.902 9.019 -2.360 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.055 8.096 -1.517 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.814 9.850 -2.615 1.00 1.44 O ATOM 0 H ASP A 52 -1.074 10.518 -1.118 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.215 7.975 -2.005 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.595 10.108 -3.653 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.592 8.376 -3.921 1.00 0.81 H new ATOM 840 N GLY A 53 0.978 10.715 -3.531 1.00 0.68 N ATOM 841 CA GLY A 53 2.183 11.137 -4.174 1.00 0.73 C ATOM 842 C GLY A 53 3.391 11.359 -3.330 1.00 0.72 C ATOM 843 O GLY A 53 4.159 12.310 -3.460 1.00 0.97 O ATOM 0 H GLY A 53 0.275 11.443 -3.400 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.436 10.392 -4.928 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.971 12.066 -4.702 1.00 0.73 H new ATOM 847 N ARG A 54 3.644 10.484 -2.341 1.00 0.64 N ATOM 848 CA ARG A 54 4.912 10.499 -1.680 1.00 0.63 C ATOM 849 C ARG A 54 5.543 9.175 -1.942 1.00 0.59 C ATOM 850 O ARG A 54 4.879 8.195 -2.277 1.00 0.62 O ATOM 851 CB ARG A 54 4.766 10.617 -0.153 1.00 0.69 C ATOM 852 CG ARG A 54 4.326 12.040 0.194 1.00 0.82 C ATOM 853 CD ARG A 54 5.281 13.151 -0.243 1.00 1.18 C ATOM 854 NE ARG A 54 4.886 14.485 0.293 1.00 1.50 N ATOM 855 CZ ARG A 54 5.540 15.196 1.257 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.520 14.610 2.004 1.00 2.49 N ATOM 857 NH2 ARG A 54 5.184 16.466 1.607 1.00 2.48 N ATOM 0 H ARG A 54 2.987 9.780 -2.004 1.00 0.64 H new ATOM 0 HA ARG A 54 5.488 11.349 -2.046 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.034 9.897 0.213 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.713 10.386 0.335 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.353 12.222 -0.262 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.190 12.106 1.273 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.290 12.912 0.093 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.310 13.194 -1.332 1.00 1.18 H new ATOM 0 HE ARG A 54 4.045 14.908 -0.099 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.768 13.634 1.844 1.00 2.49 H new ATOM 0 HH12 ARG A 54 7.004 15.148 2.723 1.00 2.49 H new ATOM 0 HH21 ARG A 54 4.399 16.922 1.142 1.00 2.48 H new ATOM 0 HH22 ARG A 54 5.703 16.959 2.334 1.00 2.48 H new ATOM 871 N THR A 55 6.872 9.062 -1.769 1.00 0.63 N ATOM 872 CA THR A 55 7.544 7.809 -1.919 1.00 0.61 C ATOM 873 C THR A 55 7.560 6.972 -0.686 1.00 0.59 C ATOM 874 O THR A 55 7.116 7.394 0.381 1.00 0.64 O ATOM 875 CB THR A 55 8.957 7.922 -2.406 1.00 0.68 C ATOM 876 OG1 THR A 55 9.881 8.260 -1.381 1.00 0.75 O ATOM 877 CG2 THR A 55 9.119 8.978 -3.513 1.00 0.76 C ATOM 0 H THR A 55 7.483 9.841 -1.524 1.00 0.63 H new ATOM 0 HA THR A 55 6.937 7.319 -2.681 1.00 0.61 H new ATOM 0 HB THR A 55 9.177 6.926 -2.790 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.783 8.317 -1.760 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.162 9.018 -3.828 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.492 8.712 -4.364 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.818 9.954 -3.132 1.00 0.76 H new ATOM 885 N LEU A 56 8.118 5.749 -0.738 1.00 0.58 N ATOM 886 CA LEU A 56 8.280 4.864 0.373 1.00 0.59 C ATOM 887 C LEU A 56 9.319 5.386 1.306 1.00 0.64 C ATOM 888 O LEU A 56 9.114 5.432 2.518 1.00 0.70 O ATOM 889 CB LEU A 56 8.628 3.426 -0.049 1.00 0.60 C ATOM 890 CG LEU A 56 7.360 2.718 -0.557 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.805 1.635 -1.554 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.400 2.158 0.507 1.00 1.03 C ATOM 0 H LEU A 56 8.477 5.356 -1.608 1.00 0.58 H new ATOM 0 HA LEU A 56 7.316 4.823 0.880 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.388 3.439 -0.831 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.049 2.880 0.795 1.00 0.60 H new ATOM 0 HG LEU A 56 6.743 3.484 -1.027 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.929 1.110 -1.936 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.339 2.100 -2.382 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.462 0.925 -1.051 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.549 1.685 0.017 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.923 1.421 1.117 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.047 2.970 1.142 1.00 1.03 H new ATOM 904 N SER A 57 10.455 5.850 0.757 1.00 0.68 N ATOM 905 CA SER A 57 11.552 6.359 1.521 1.00 0.75 C ATOM 906 C SER A 57 11.255 7.578 2.325 1.00 0.76 C ATOM 907 O SER A 57 11.873 7.743 3.376 1.00 0.84 O ATOM 908 CB SER A 57 12.786 6.599 0.636 1.00 0.84 C ATOM 909 OG SER A 57 13.908 6.953 1.431 1.00 1.19 O ATOM 0 H SER A 57 10.616 5.872 -0.250 1.00 0.68 H new ATOM 0 HA SER A 57 11.760 5.572 2.246 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.009 5.700 0.062 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.577 7.392 -0.082 1.00 0.84 H new ATOM 0 HG SER A 57 14.685 7.101 0.853 1.00 1.19 H new ATOM 915 N ASP A 58 10.327 8.427 1.846 1.00 0.75 N ATOM 916 CA ASP A 58 9.840 9.627 2.453 1.00 0.78 C ATOM 917 C ASP A 58 9.300 9.258 3.791 1.00 0.77 C ATOM 918 O ASP A 58 9.566 9.878 4.820 1.00 0.86 O ATOM 919 CB ASP A 58 8.792 10.197 1.484 1.00 0.83 C ATOM 920 CG ASP A 58 8.644 11.675 1.818 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.685 12.381 1.892 1.00 1.90 O ATOM 922 OD2 ASP A 58 7.470 12.100 1.991 1.00 1.86 O ATOM 0 H ASP A 58 9.876 8.254 0.947 1.00 0.75 H new ATOM 0 HA ASP A 58 10.595 10.395 2.621 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.109 10.064 0.450 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.840 9.678 1.595 1.00 0.83 H new ATOM 927 N TYR A 59 8.489 8.191 3.908 1.00 0.72 N ATOM 928 CA TYR A 59 8.001 7.771 5.185 1.00 0.73 C ATOM 929 C TYR A 59 8.868 6.835 5.953 1.00 0.76 C ATOM 930 O TYR A 59 8.596 6.594 7.128 1.00 0.89 O ATOM 931 CB TYR A 59 6.743 6.951 4.851 1.00 0.73 C ATOM 932 CG TYR A 59 5.517 7.776 4.664 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.985 8.376 5.780 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.905 7.951 3.444 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.946 9.268 5.653 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.891 8.873 3.335 1.00 0.70 C ATOM 937 CZ TYR A 59 3.422 9.576 4.419 1.00 0.74 C ATOM 938 OH TYR A 59 2.288 10.415 4.427 1.00 0.86 O ATOM 0 H TYR A 59 8.173 7.622 3.123 1.00 0.72 H new ATOM 0 HA TYR A 59 7.892 8.666 5.798 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.926 6.378 3.942 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.567 6.232 5.651 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.383 8.147 6.757 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.216 7.373 2.586 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.535 9.734 6.536 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.449 9.051 2.366 1.00 0.70 H new ATOM 0 HH TYR A 59 2.529 11.295 4.069 1.00 0.86 H new ATOM 948 N ASN A 60 10.017 6.422 5.388 1.00 0.74 N ATOM 949 CA ASN A 60 11.088 5.580 5.822 1.00 0.79 C ATOM 950 C ASN A 60 10.575 4.181 5.831 1.00 0.75 C ATOM 951 O ASN A 60 10.639 3.445 6.814 1.00 0.86 O ATOM 952 CB ASN A 60 11.613 5.949 7.220 1.00 0.95 C ATOM 953 CG ASN A 60 12.139 7.376 7.272 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.082 7.743 6.572 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.475 8.202 8.124 1.00 1.83 N ATOM 0 H ASN A 60 10.223 6.749 4.444 1.00 0.74 H new ATOM 0 HA ASN A 60 11.928 5.703 5.139 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.813 5.830 7.951 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.408 5.259 7.503 1.00 0.95 H new ATOM 0 HD21 ASN A 60 11.753 9.180 8.206 1.00 1.83 H new ATOM 0 HD22 ASN A 60 10.699 7.844 8.681 1.00 1.83 H new ATOM 962 N ILE A 61 9.998 3.722 4.706 1.00 0.67 N ATOM 963 CA ILE A 61 9.461 2.401 4.605 1.00 0.65 C ATOM 964 C ILE A 61 10.495 1.538 3.969 1.00 0.66 C ATOM 965 O ILE A 61 11.065 1.836 2.920 1.00 0.75 O ATOM 966 CB ILE A 61 8.161 2.271 3.867 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.100 3.087 4.625 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.773 0.791 3.711 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.927 3.600 3.791 1.00 0.82 C ATOM 0 H ILE A 61 9.903 4.276 3.855 1.00 0.67 H new ATOM 0 HA ILE A 61 9.217 2.092 5.621 1.00 0.65 H new ATOM 0 HB ILE A 61 8.248 2.667 2.855 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.704 2.470 5.432 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.591 3.942 5.089 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.828 0.717 3.173 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.550 0.268 3.153 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.666 0.337 4.696 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.244 4.160 4.430 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.300 4.250 3.000 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.399 2.756 3.348 1.00 0.82 H new ATOM 981 N GLN A 62 10.821 0.423 4.645 1.00 0.67 N ATOM 982 CA GLN A 62 11.911 -0.428 4.276 1.00 0.70 C ATOM 983 C GLN A 62 11.415 -1.572 3.461 1.00 0.62 C ATOM 984 O GLN A 62 10.253 -1.590 3.058 1.00 0.64 O ATOM 985 CB GLN A 62 12.920 -0.652 5.416 1.00 0.85 C ATOM 986 CG GLN A 62 13.383 0.671 6.029 1.00 1.27 C ATOM 987 CD GLN A 62 14.554 0.355 6.949 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.689 0.642 6.570 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.268 -0.157 8.176 1.00 2.16 N ATOM 0 H GLN A 62 10.314 0.104 5.470 1.00 0.67 H new ATOM 0 HA GLN A 62 12.589 0.065 3.579 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.465 -1.272 6.189 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.783 -1.199 5.036 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.684 1.372 5.250 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.573 1.142 6.585 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.303 -0.373 8.426 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.018 -0.325 8.846 1.00 2.16 H new ATOM 998 N LYS A 63 12.300 -2.568 3.282 1.00 0.64 N ATOM 999 CA LYS A 63 12.002 -3.865 2.759 1.00 0.62 C ATOM 1000 C LYS A 63 11.296 -4.735 3.741 1.00 0.59 C ATOM 1001 O LYS A 63 11.421 -4.510 4.944 1.00 0.66 O ATOM 1002 CB LYS A 63 13.243 -4.589 2.208 1.00 0.74 C ATOM 1003 CG LYS A 63 14.384 -4.799 3.205 1.00 0.89 C ATOM 1004 CD LYS A 63 15.334 -5.914 2.762 1.00 1.11 C ATOM 1005 CE LYS A 63 16.436 -6.096 3.808 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.429 -7.087 3.339 1.00 2.12 N ATOM 0 H LYS A 63 13.286 -2.460 3.518 1.00 0.64 H new ATOM 0 HA LYS A 63 11.325 -3.681 1.925 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.934 -5.562 1.827 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.626 -4.021 1.360 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.943 -3.870 3.317 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.970 -5.043 4.184 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.783 -6.846 2.634 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.773 -5.668 1.795 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.927 -5.142 3.999 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.001 -6.425 4.751 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.172 -7.201 4.058 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.959 -8.001 3.179 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.856 -6.757 2.450 1.00 2.12 H new ATOM 1020 N GLU A 64 10.460 -5.691 3.298 1.00 0.57 N ATOM 1021 CA GLU A 64 9.808 -6.705 4.068 1.00 0.58 C ATOM 1022 C GLU A 64 8.795 -6.182 5.027 1.00 0.56 C ATOM 1023 O GLU A 64 8.685 -6.602 6.178 1.00 0.70 O ATOM 1024 CB GLU A 64 10.707 -7.762 4.730 1.00 0.72 C ATOM 1025 CG GLU A 64 11.939 -8.080 3.880 1.00 0.96 C ATOM 1026 CD GLU A 64 12.865 -9.148 4.446 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.275 -9.009 5.629 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.226 -10.145 3.766 1.00 1.69 O ATOM 0 H GLU A 64 10.220 -5.759 2.309 1.00 0.57 H new ATOM 0 HA GLU A 64 9.281 -7.249 3.284 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.025 -7.405 5.710 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.134 -8.675 4.893 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.606 -8.399 2.892 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.511 -7.163 3.743 1.00 0.96 H new ATOM 1035 N SER A 65 8.184 -5.019 4.736 1.00 0.51 N ATOM 1036 CA SER A 65 7.301 -4.313 5.610 1.00 0.51 C ATOM 1037 C SER A 65 5.897 -4.395 5.117 1.00 0.43 C ATOM 1038 O SER A 65 5.622 -4.199 3.934 1.00 0.50 O ATOM 1039 CB SER A 65 7.755 -2.884 5.949 1.00 0.65 C ATOM 1040 OG SER A 65 7.089 -2.407 7.110 1.00 1.04 O ATOM 0 H SER A 65 8.314 -4.547 3.841 1.00 0.51 H new ATOM 0 HA SER A 65 7.339 -4.821 6.574 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.833 -2.868 6.110 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.549 -2.222 5.108 1.00 0.65 H new ATOM 0 HG SER A 65 6.899 -1.451 7.008 1.00 1.04 H new ATOM 1046 N THR A 66 4.997 -4.677 6.076 1.00 0.45 N ATOM 1047 CA THR A 66 3.586 -4.855 5.926 1.00 0.45 C ATOM 1048 C THR A 66 2.786 -3.599 5.886 1.00 0.43 C ATOM 1049 O THR A 66 2.516 -2.894 6.857 1.00 0.58 O ATOM 1050 CB THR A 66 2.905 -5.684 6.974 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.416 -7.009 7.009 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.408 -5.855 6.665 1.00 0.78 C ATOM 0 H THR A 66 5.287 -4.791 7.047 1.00 0.45 H new ATOM 0 HA THR A 66 3.591 -5.368 4.965 1.00 0.45 H new ATOM 0 HB THR A 66 3.076 -5.157 7.913 1.00 0.61 H new ATOM 0 HG1 THR A 66 2.951 -7.521 7.704 1.00 0.79 H new ATOM 0 HG21 THR A 66 0.943 -6.460 7.443 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.929 -4.876 6.632 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.290 -6.350 5.701 1.00 0.78 H new ATOM 1060 N LEU A 67 2.336 -3.215 4.679 1.00 0.38 N ATOM 1061 CA LEU A 67 1.520 -2.056 4.488 1.00 0.38 C ATOM 1062 C LEU A 67 0.086 -2.456 4.567 1.00 0.37 C ATOM 1063 O LEU A 67 -0.403 -3.388 3.931 1.00 0.50 O ATOM 1064 CB LEU A 67 1.732 -1.508 3.067 1.00 0.46 C ATOM 1065 CG LEU A 67 3.159 -0.973 2.861 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.463 -0.474 1.438 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.471 0.121 3.896 1.00 1.31 C ATOM 0 H LEU A 67 2.543 -3.720 3.817 1.00 0.38 H new ATOM 0 HA LEU A 67 1.780 -1.315 5.244 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.532 -2.296 2.341 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.015 -0.710 2.876 1.00 0.46 H new ATOM 0 HG LEU A 67 3.816 -1.830 3.008 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.492 -0.116 1.390 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.329 -1.291 0.729 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.784 0.340 1.185 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.484 0.492 3.740 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.763 0.942 3.783 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.388 -0.294 4.900 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.714 -1.755 5.389 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.068 -2.130 5.656 1.00 0.37 C ATOM 1081 C HIS A 68 -2.957 -1.428 4.688 1.00 0.35 C ATOM 1082 O HIS A 68 -3.077 -0.207 4.602 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.411 -1.684 7.089 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.786 -2.592 8.106 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.638 -2.217 8.775 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.177 -3.774 8.652 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.412 -3.196 9.690 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.331 -4.143 9.678 1.00 1.51 N ATOM 0 H HIS A 68 -0.415 -0.911 5.878 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.202 -3.207 5.557 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.064 -0.663 7.247 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.493 -1.677 7.221 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.033 -4.346 8.327 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.435 -3.199 10.360 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.400 -4.959 10.286 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.617 -2.238 3.841 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.494 -1.648 2.878 1.00 0.38 C ATOM 1098 C LEU A 69 -5.886 -1.392 3.342 1.00 0.41 C ATOM 1099 O LEU A 69 -6.361 -2.314 4.005 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.586 -2.627 1.696 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.453 -2.312 0.465 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.174 -0.979 -0.249 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.210 -3.415 -0.579 1.00 1.14 C ATOM 0 H LEU A 69 -3.550 -3.256 3.819 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.070 -0.673 2.638 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.570 -2.788 1.336 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.937 -3.578 2.097 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.470 -2.250 0.851 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.848 -0.873 -1.099 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.333 -0.154 0.445 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.142 -0.963 -0.600 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.814 -3.217 -1.465 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.155 -3.430 -0.854 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.489 -4.381 -0.159 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.445 -0.200 3.065 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.827 0.099 3.277 1.00 0.56 C ATOM 1117 C VAL A 70 -8.371 0.747 2.051 1.00 0.55 C ATOM 1118 O VAL A 70 -7.673 0.834 1.042 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.085 0.922 4.504 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.574 0.178 5.749 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.448 2.310 4.320 1.00 0.97 C ATOM 0 H VAL A 70 -5.916 0.583 2.680 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.348 -0.840 3.463 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.154 1.074 4.653 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.764 0.781 6.637 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.092 -0.777 5.841 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.503 0.001 5.653 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.631 2.915 5.208 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.374 2.200 4.171 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.887 2.800 3.451 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.620 1.242 2.108 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.294 1.962 1.072 1.00 0.84 C ATOM 1133 C LEU A 71 -10.557 3.363 1.504 1.00 0.85 C ATOM 1134 O LEU A 71 -10.185 3.683 2.632 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.598 1.191 0.809 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.475 -0.287 0.403 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.828 -0.868 -0.042 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.451 -0.537 -0.716 1.00 2.78 C ATOM 0 H LEU A 71 -10.200 1.130 2.939 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.697 2.031 0.163 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.208 1.243 1.711 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.145 1.712 0.023 1.00 1.26 H new ATOM 0 HG LEU A 71 -11.124 -0.790 1.304 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.701 -1.914 -0.321 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.542 -0.796 0.778 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.201 -0.307 -0.899 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.419 -1.601 -0.949 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.741 0.021 -1.606 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.465 -0.208 -0.387 1.00 2.78 H new