USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -15:sc= -0.772 USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= -0.181 (180deg=-2.25!) USER MOD Single : A 21 ASN : amide:sc= -0.954 K(o=-0.95,f=-2!) USER MOD Single : A 22 GLN :FLIP amide:sc= -3.37! C(o=-7.8!,f=-3.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= -0.0426 (180deg=-0.097) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 163:sc= -0.762 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.2!) USER MOD Single : A 62 SER OG : rot 91:sc= 0.857 USER MOD Single : A 67 GLN : amide:sc= 0.768 K(o=0.77,f=-0.29) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 3.141 -1.095 -1.194 1.00 0.00 C ATOM 4 O LYS A 1 3.153 -1.995 -2.031 1.00 0.00 O ATOM 5 CB LYS A 1 2.635 1.394 -1.533 1.00 0.00 C ATOM 6 CG LYS A 1 1.756 2.143 -2.537 1.00 0.00 C ATOM 7 CD LYS A 1 1.999 3.651 -2.460 1.00 0.00 C ATOM 8 CE LYS A 1 2.182 4.249 -3.856 1.00 0.00 C ATOM 9 NZ LYS A 1 0.877 4.365 -4.545 1.00 0.00 N ATOM 0 H1 LYS A 1 0.598 0.743 -0.032 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.868 -0.925 0.131 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.972 0.182 0.794 1.00 0.00 H new ATOM 0 HA LYS A 1 1.416 -0.233 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.699 1.963 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.648 1.308 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 1 1.967 1.788 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.706 1.930 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.158 4.133 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 1 2.885 3.850 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.648 5.231 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.855 3.622 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.019 4.773 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.447 3.422 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 0.247 4.982 -3.993 1.00 0.00 H new ATOM 23 N SER A 2 4.012 -0.981 -0.202 1.00 0.00 N ATOM 24 CA SER A 2 5.082 -1.949 -0.030 1.00 0.00 C ATOM 25 C SER A 2 4.518 -3.257 0.528 1.00 0.00 C ATOM 26 O SER A 2 3.525 -3.249 1.255 1.00 0.00 O ATOM 27 CB SER A 2 6.175 -1.406 0.892 1.00 0.00 C ATOM 28 OG SER A 2 6.832 -0.273 0.330 1.00 0.00 O ATOM 0 H SER A 2 3.998 -0.233 0.491 1.00 0.00 H new ATOM 0 HA SER A 2 5.530 -2.140 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.737 -1.132 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.907 -2.190 1.088 1.00 0.00 H new ATOM 0 HG SER A 2 7.522 0.046 0.949 1.00 0.00 H new ATOM 34 N PRO A 3 5.193 -4.379 0.159 1.00 0.00 N ATOM 35 CA PRO A 3 4.770 -5.692 0.615 1.00 0.00 C ATOM 36 C PRO A 3 5.144 -5.909 2.083 1.00 0.00 C ATOM 37 O PRO A 3 4.395 -6.534 2.832 1.00 0.00 O ATOM 38 CB PRO A 3 5.452 -6.673 -0.323 1.00 0.00 C ATOM 39 CG PRO A 3 6.592 -5.905 -0.973 1.00 0.00 C ATOM 40 CD PRO A 3 6.372 -4.426 -0.701 1.00 0.00 C ATOM 0 HA PRO A 3 3.688 -5.820 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.826 -7.539 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.754 -7.045 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.551 -6.229 -0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.618 -6.096 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.238 -3.980 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.210 -3.873 -1.626 1.00 0.00 H new ATOM 48 N GLU A 4 6.302 -5.380 2.449 1.00 0.00 N ATOM 49 CA GLU A 4 6.784 -5.508 3.814 1.00 0.00 C ATOM 50 C GLU A 4 5.818 -4.826 4.785 1.00 0.00 C ATOM 51 O GLU A 4 5.670 -5.260 5.926 1.00 0.00 O ATOM 52 CB GLU A 4 8.196 -4.935 3.952 1.00 0.00 C ATOM 53 CG GLU A 4 9.199 -6.030 4.321 1.00 0.00 C ATOM 54 CD GLU A 4 9.583 -5.946 5.800 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.824 -6.511 6.617 1.00 0.00 O ATOM 56 OE2 GLU A 4 10.627 -5.318 6.080 1.00 0.00 O ATOM 0 H GLU A 4 6.920 -4.862 1.825 1.00 0.00 H new ATOM 0 HA GLU A 4 6.831 -6.568 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.494 -4.464 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.204 -4.158 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.769 -7.009 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.092 -5.933 3.704 1.00 0.00 H new ATOM 63 N GLU A 5 5.186 -3.770 4.296 1.00 0.00 N ATOM 64 CA GLU A 5 4.238 -3.024 5.106 1.00 0.00 C ATOM 65 C GLU A 5 3.051 -3.911 5.487 1.00 0.00 C ATOM 66 O GLU A 5 2.486 -3.766 6.570 1.00 0.00 O ATOM 67 CB GLU A 5 3.768 -1.763 4.378 1.00 0.00 C ATOM 68 CG GLU A 5 4.421 -0.512 4.970 1.00 0.00 C ATOM 69 CD GLU A 5 3.433 0.655 5.012 1.00 0.00 C ATOM 70 OE1 GLU A 5 2.722 0.760 6.035 1.00 0.00 O ATOM 71 OE2 GLU A 5 3.411 1.416 4.021 1.00 0.00 O ATOM 0 H GLU A 5 5.312 -3.413 3.349 1.00 0.00 H new ATOM 0 HA GLU A 5 4.740 -2.710 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.012 -1.838 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.684 -1.680 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.779 -0.726 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.291 -0.235 4.375 1.00 0.00 H new ATOM 78 N LEU A 6 2.709 -4.811 4.576 1.00 0.00 N ATOM 79 CA LEU A 6 1.600 -5.721 4.803 1.00 0.00 C ATOM 80 C LEU A 6 1.879 -6.554 6.056 1.00 0.00 C ATOM 81 O LEU A 6 0.984 -6.774 6.872 1.00 0.00 O ATOM 82 CB LEU A 6 1.333 -6.562 3.553 1.00 0.00 C ATOM 83 CG LEU A 6 0.862 -5.793 2.317 1.00 0.00 C ATOM 84 CD1 LEU A 6 0.972 -6.658 1.059 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.554 -5.249 2.515 1.00 0.00 C ATOM 0 H LEU A 6 3.181 -4.929 3.679 1.00 0.00 H new ATOM 0 HA LEU A 6 0.681 -5.164 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.247 -7.097 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.582 -7.313 3.798 1.00 0.00 H new ATOM 0 HG LEU A 6 1.520 -4.935 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.631 -6.088 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.010 -6.955 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.353 -7.548 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.864 -4.707 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.240 -6.077 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.568 -4.575 3.372 1.00 0.00 H new ATOM 97 N LYS A 7 3.123 -6.996 6.170 1.00 0.00 N ATOM 98 CA LYS A 7 3.530 -7.800 7.310 1.00 0.00 C ATOM 99 C LYS A 7 3.362 -6.982 8.592 1.00 0.00 C ATOM 100 O LYS A 7 2.705 -7.424 9.533 1.00 0.00 O ATOM 101 CB LYS A 7 4.947 -8.340 7.106 1.00 0.00 C ATOM 102 CG LYS A 7 5.097 -9.733 7.720 1.00 0.00 C ATOM 103 CD LYS A 7 5.266 -9.647 9.239 1.00 0.00 C ATOM 104 CE LYS A 7 6.591 -10.273 9.679 1.00 0.00 C ATOM 105 NZ LYS A 7 6.893 -9.912 11.082 1.00 0.00 N ATOM 0 H LYS A 7 3.862 -6.813 5.492 1.00 0.00 H new ATOM 0 HA LYS A 7 2.890 -8.677 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.174 -8.382 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.668 -7.660 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.221 -10.336 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.959 -10.236 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.230 -8.604 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.438 -10.157 9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.539 -11.357 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.396 -9.931 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.795 -10.345 11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.963 -8.878 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.133 -10.259 11.701 1.00 0.00 H new ATOM 119 N GLY A 8 3.967 -5.803 8.587 1.00 0.00 N ATOM 120 CA GLY A 8 3.893 -4.919 9.738 1.00 0.00 C ATOM 121 C GLY A 8 2.441 -4.564 10.064 1.00 0.00 C ATOM 122 O GLY A 8 1.994 -4.739 11.196 1.00 0.00 O ATOM 0 H GLY A 8 4.511 -5.439 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.356 -5.399 10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.458 -4.008 9.539 1.00 0.00 H new ATOM 126 N ILE A 9 1.744 -4.071 9.050 1.00 0.00 N ATOM 127 CA ILE A 9 0.352 -3.689 9.214 1.00 0.00 C ATOM 128 C ILE A 9 -0.433 -4.872 9.785 1.00 0.00 C ATOM 129 O ILE A 9 -1.187 -4.717 10.744 1.00 0.00 O ATOM 130 CB ILE A 9 -0.215 -3.152 7.899 1.00 0.00 C ATOM 131 CG1 ILE A 9 0.229 -1.707 7.659 1.00 0.00 C ATOM 132 CG2 ILE A 9 -1.737 -3.297 7.858 1.00 0.00 C ATOM 133 CD1 ILE A 9 -0.367 -1.158 6.362 1.00 0.00 C ATOM 0 H ILE A 9 2.118 -3.927 8.112 1.00 0.00 H new ATOM 0 HA ILE A 9 0.263 -2.872 9.930 1.00 0.00 H new ATOM 0 HB ILE A 9 0.188 -3.753 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.081 -1.084 8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.317 -1.660 7.612 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.114 -2.908 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.005 -4.350 7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.178 -2.737 8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.036 -0.130 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.036 -1.769 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.455 -1.183 6.422 1.00 0.00 H new ATOM 145 N PHE A 10 -0.228 -6.028 9.170 1.00 0.00 N ATOM 146 CA PHE A 10 -0.907 -7.237 9.604 1.00 0.00 C ATOM 147 C PHE A 10 -0.745 -7.445 11.111 1.00 0.00 C ATOM 148 O PHE A 10 -1.732 -7.589 11.832 1.00 0.00 O ATOM 149 CB PHE A 10 -0.254 -8.407 8.866 1.00 0.00 C ATOM 150 CG PHE A 10 -0.400 -9.752 9.580 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.500 -10.120 10.530 1.00 0.00 C ATOM 152 CD2 PHE A 10 -1.431 -10.581 9.263 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.365 -11.369 11.192 1.00 0.00 C ATOM 154 CE2 PHE A 10 -1.567 -11.830 9.925 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.666 -12.197 10.876 1.00 0.00 C ATOM 0 H PHE A 10 0.399 -6.153 8.375 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.973 -7.164 9.387 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.692 -8.486 7.871 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.806 -8.192 8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.318 -9.462 10.782 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.146 -10.289 8.508 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.081 -11.661 11.946 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.385 -12.488 9.674 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.770 -13.146 11.380 1.00 0.00 H new ATOM 165 N GLU A 11 0.507 -7.455 11.544 1.00 0.00 N ATOM 166 CA GLU A 11 0.812 -7.644 12.952 1.00 0.00 C ATOM 167 C GLU A 11 0.209 -6.508 13.782 1.00 0.00 C ATOM 168 O GLU A 11 -0.222 -6.723 14.914 1.00 0.00 O ATOM 169 CB GLU A 11 2.322 -7.747 13.178 1.00 0.00 C ATOM 170 CG GLU A 11 2.721 -9.170 13.572 1.00 0.00 C ATOM 171 CD GLU A 11 3.940 -9.160 14.497 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.741 -8.868 15.696 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.044 -9.446 13.984 1.00 0.00 O ATOM 0 H GLU A 11 1.323 -7.335 10.944 1.00 0.00 H new ATOM 0 HA GLU A 11 0.365 -8.583 13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.850 -7.456 12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.625 -7.051 13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.885 -9.661 14.071 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.944 -9.750 12.677 1.00 0.00 H new ATOM 180 N LYS A 12 0.198 -5.325 13.187 1.00 0.00 N ATOM 181 CA LYS A 12 -0.344 -4.155 13.857 1.00 0.00 C ATOM 182 C LYS A 12 -1.804 -4.419 14.231 1.00 0.00 C ATOM 183 O LYS A 12 -2.298 -3.891 15.227 1.00 0.00 O ATOM 184 CB LYS A 12 -0.146 -2.905 12.997 1.00 0.00 C ATOM 185 CG LYS A 12 0.154 -1.683 13.868 1.00 0.00 C ATOM 186 CD LYS A 12 -0.909 -0.599 13.675 1.00 0.00 C ATOM 187 CE LYS A 12 -0.428 0.744 14.229 1.00 0.00 C ATOM 188 NZ LYS A 12 -1.245 1.852 13.683 1.00 0.00 N ATOM 0 H LYS A 12 0.556 -5.151 12.248 1.00 0.00 H new ATOM 0 HA LYS A 12 0.195 -3.963 14.785 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.673 -3.067 12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.042 -2.722 12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.191 -1.979 14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.136 -1.284 13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.142 -0.497 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.830 -0.895 14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.492 0.739 15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.620 0.896 13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.906 2.756 14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.163 1.865 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.241 1.714 13.950 1.00 0.00 H new ATOM 202 N TYR A 13 -2.453 -5.234 13.414 1.00 0.00 N ATOM 203 CA TYR A 13 -3.847 -5.574 13.647 1.00 0.00 C ATOM 204 C TYR A 13 -3.969 -6.894 14.412 1.00 0.00 C ATOM 205 O TYR A 13 -4.834 -7.037 15.274 1.00 0.00 O ATOM 206 CB TYR A 13 -4.477 -5.741 12.263 1.00 0.00 C ATOM 207 CG TYR A 13 -5.031 -4.443 11.671 1.00 0.00 C ATOM 208 CD1 TYR A 13 -4.172 -3.514 11.119 1.00 0.00 C ATOM 209 CD2 TYR A 13 -6.390 -4.201 11.690 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.693 -2.293 10.562 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.911 -2.979 11.133 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.037 -2.086 10.596 1.00 0.00 C ATOM 213 OH TYR A 13 -6.529 -0.932 10.070 1.00 0.00 O ATOM 0 H TYR A 13 -2.040 -5.669 12.589 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.337 -4.801 14.239 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.730 -6.149 11.582 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.283 -6.472 12.328 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.109 -3.703 11.105 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.062 -4.927 12.122 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.032 -1.558 10.127 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.972 -2.776 11.142 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.798 -0.292 9.945 1.00 0.00 H new ATOM 223 N ALA A 14 -3.090 -7.823 14.068 1.00 0.00 N ATOM 224 CA ALA A 14 -3.088 -9.126 14.712 1.00 0.00 C ATOM 225 C ALA A 14 -2.698 -8.963 16.182 1.00 0.00 C ATOM 226 O ALA A 14 -3.118 -9.749 17.030 1.00 0.00 O ATOM 227 CB ALA A 14 -2.144 -10.066 13.959 1.00 0.00 C ATOM 0 H ALA A 14 -2.374 -7.700 13.352 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.083 -9.570 14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.142 -11.043 14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.481 -10.171 12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.135 -9.654 13.970 1.00 0.00 H new ATOM 233 N ALA A 15 -1.900 -7.938 16.439 1.00 0.00 N ATOM 234 CA ALA A 15 -1.449 -7.662 17.793 1.00 0.00 C ATOM 235 C ALA A 15 -2.577 -6.985 18.574 1.00 0.00 C ATOM 236 O ALA A 15 -2.590 -7.014 19.804 1.00 0.00 O ATOM 237 CB ALA A 15 -0.180 -6.807 17.744 1.00 0.00 C ATOM 0 H ALA A 15 -1.554 -7.288 15.733 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.199 -8.588 18.310 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.159 -6.600 18.759 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.600 -7.344 17.204 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.394 -5.868 17.234 1.00 0.00 H new ATOM 243 N LYS A 16 -3.498 -6.393 17.828 1.00 0.00 N ATOM 244 CA LYS A 16 -4.628 -5.710 18.435 1.00 0.00 C ATOM 245 C LYS A 16 -5.351 -6.672 19.379 1.00 0.00 C ATOM 246 O LYS A 16 -5.369 -6.462 20.591 1.00 0.00 O ATOM 247 CB LYS A 16 -5.533 -5.109 17.358 1.00 0.00 C ATOM 248 CG LYS A 16 -5.843 -3.641 17.658 1.00 0.00 C ATOM 249 CD LYS A 16 -7.002 -3.138 16.796 1.00 0.00 C ATOM 250 CE LYS A 16 -7.773 -2.025 17.509 1.00 0.00 C ATOM 251 NZ LYS A 16 -9.231 -2.251 17.396 1.00 0.00 N ATOM 0 H LYS A 16 -3.485 -6.372 16.808 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.286 -4.868 19.037 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.049 -5.191 16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.462 -5.676 17.301 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.093 -3.527 18.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.957 -3.033 17.473 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.619 -2.768 15.845 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.676 -3.964 16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.485 -1.990 18.560 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.514 -1.059 17.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.663 -1.469 16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.406 -3.147 16.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.650 -2.296 18.347 1.00 0.00 H new ATOM 265 N GLU A 17 -5.931 -7.707 18.789 1.00 0.00 N ATOM 266 CA GLU A 17 -6.654 -8.702 19.562 1.00 0.00 C ATOM 267 C GLU A 17 -5.983 -10.070 19.427 1.00 0.00 C ATOM 268 O GLU A 17 -5.701 -10.521 18.317 1.00 0.00 O ATOM 269 CB GLU A 17 -8.122 -8.767 19.136 1.00 0.00 C ATOM 270 CG GLU A 17 -8.915 -7.596 19.720 1.00 0.00 C ATOM 271 CD GLU A 17 -10.210 -8.083 20.374 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.768 -9.075 19.857 1.00 0.00 O ATOM 273 OE2 GLU A 17 -10.611 -7.453 21.376 1.00 0.00 O ATOM 0 H GLU A 17 -5.915 -7.878 17.784 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.627 -8.408 20.611 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.190 -8.750 18.048 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.559 -9.709 19.468 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.306 -7.071 20.456 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.148 -6.881 18.931 1.00 0.00 H new ATOM 280 N GLY A 18 -5.746 -10.694 20.572 1.00 0.00 N ATOM 281 CA GLY A 18 -5.113 -12.001 20.595 1.00 0.00 C ATOM 282 C GLY A 18 -3.688 -11.931 20.042 1.00 0.00 C ATOM 283 O GLY A 18 -3.219 -10.860 19.658 1.00 0.00 O ATOM 0 H GLY A 18 -5.981 -10.318 21.491 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.092 -12.381 21.617 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.701 -12.704 20.006 1.00 0.00 H new ATOM 287 N ASP A 19 -3.039 -13.086 20.018 1.00 0.00 N ATOM 288 CA ASP A 19 -1.677 -13.168 19.519 1.00 0.00 C ATOM 289 C ASP A 19 -1.614 -12.554 18.119 1.00 0.00 C ATOM 290 O ASP A 19 -2.530 -12.730 17.318 1.00 0.00 O ATOM 291 CB ASP A 19 -1.215 -14.623 19.417 1.00 0.00 C ATOM 292 CG ASP A 19 0.294 -14.834 19.561 1.00 0.00 C ATOM 293 OD1 ASP A 19 0.982 -14.733 18.522 1.00 0.00 O ATOM 294 OD2 ASP A 19 0.724 -15.092 20.705 1.00 0.00 O ATOM 0 H ASP A 19 -3.431 -13.972 20.336 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.030 -12.631 20.213 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.723 -15.205 20.186 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.532 -15.023 18.454 1.00 0.00 H new ATOM 299 N PRO A 20 -0.494 -11.827 17.860 1.00 0.00 N ATOM 300 CA PRO A 20 -0.299 -11.185 16.571 1.00 0.00 C ATOM 301 C PRO A 20 0.078 -12.210 15.500 1.00 0.00 C ATOM 302 O PRO A 20 0.311 -11.851 14.347 1.00 0.00 O ATOM 303 CB PRO A 20 0.786 -10.147 16.808 1.00 0.00 C ATOM 304 CG PRO A 20 1.483 -10.559 18.095 1.00 0.00 C ATOM 305 CD PRO A 20 0.612 -11.597 18.785 1.00 0.00 C ATOM 0 HA PRO A 20 -1.207 -10.714 16.194 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.488 -10.119 15.975 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.358 -9.148 16.898 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.469 -10.970 17.880 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.632 -9.695 18.742 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.167 -12.516 18.975 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.253 -11.236 19.749 1.00 0.00 H new ATOM 313 N ASN A 21 0.126 -13.466 15.919 1.00 0.00 N ATOM 314 CA ASN A 21 0.471 -14.546 15.010 1.00 0.00 C ATOM 315 C ASN A 21 -0.803 -15.076 14.349 1.00 0.00 C ATOM 316 O ASN A 21 -0.851 -15.244 13.131 1.00 0.00 O ATOM 317 CB ASN A 21 1.133 -15.705 15.758 1.00 0.00 C ATOM 318 CG ASN A 21 2.549 -15.333 16.203 1.00 0.00 C ATOM 319 OD1 ASN A 21 3.191 -14.456 15.649 1.00 0.00 O ATOM 320 ND2 ASN A 21 2.998 -16.047 17.231 1.00 0.00 N ATOM 0 H ASN A 21 -0.068 -13.760 16.876 1.00 0.00 H new ATOM 0 HA ASN A 21 1.165 -14.153 14.267 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.533 -15.971 16.628 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.169 -16.584 15.115 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.932 -15.875 17.602 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.408 -16.767 17.648 1.00 0.00 H new ATOM 327 N GLN A 22 -1.804 -15.325 15.180 1.00 0.00 N ATOM 328 CA GLN A 22 -3.074 -15.833 14.691 1.00 0.00 C ATOM 329 C GLN A 22 -4.078 -14.689 14.533 1.00 0.00 C ATOM 330 O GLN A 22 -4.262 -13.889 15.449 1.00 0.00 O ATOM 331 CB GLN A 22 -3.624 -16.920 15.618 1.00 0.00 C ATOM 332 CG GLN A 22 -3.512 -16.498 17.084 1.00 0.00 C ATOM 333 CD GLN A 22 -2.318 -17.176 17.760 1.00 0.00 C ATOM 334 OE1 GLN A 22 -1.272 -17.355 16.958 1.00 0.00 O flip ATOM 335 NE2 GLN A 22 -2.345 -17.515 18.932 1.00 0.00 N flip ATOM 0 H GLN A 22 -1.761 -15.184 16.189 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.909 -16.285 13.713 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.667 -17.119 15.372 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.076 -17.849 15.460 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.404 -15.415 17.147 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.429 -16.758 17.612 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.181 -17.348 19.492 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.532 -17.965 19.351 1.00 0.00 H new ATOM 344 N LEU A 23 -4.700 -14.647 13.365 1.00 0.00 N ATOM 345 CA LEU A 23 -5.680 -13.615 13.075 1.00 0.00 C ATOM 346 C LEU A 23 -7.065 -14.094 13.514 1.00 0.00 C ATOM 347 O LEU A 23 -7.257 -15.277 13.792 1.00 0.00 O ATOM 348 CB LEU A 23 -5.609 -13.207 11.602 1.00 0.00 C ATOM 349 CG LEU A 23 -4.564 -12.146 11.249 1.00 0.00 C ATOM 350 CD1 LEU A 23 -5.133 -10.737 11.424 1.00 0.00 C ATOM 351 CD2 LEU A 23 -3.281 -12.351 12.058 1.00 0.00 C ATOM 0 H LEU A 23 -4.544 -15.312 12.607 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.460 -12.711 13.643 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.408 -14.098 11.008 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.589 -12.838 11.300 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.303 -12.259 10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.370 -10.002 11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.995 -10.609 10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.439 -10.594 12.460 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.555 -11.584 11.789 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.506 -12.279 13.122 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.867 -13.336 11.840 1.00 0.00 H new ATOM 363 N SER A 24 -7.995 -13.151 13.562 1.00 0.00 N ATOM 364 CA SER A 24 -9.357 -13.463 13.962 1.00 0.00 C ATOM 365 C SER A 24 -10.348 -12.687 13.093 1.00 0.00 C ATOM 366 O SER A 24 -9.980 -11.705 12.451 1.00 0.00 O ATOM 367 CB SER A 24 -9.583 -13.142 15.441 1.00 0.00 C ATOM 368 OG SER A 24 -8.529 -13.637 16.262 1.00 0.00 O ATOM 0 H SER A 24 -7.832 -12.171 13.331 1.00 0.00 H new ATOM 0 HA SER A 24 -9.519 -14.532 13.821 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.666 -12.063 15.569 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.529 -13.575 15.765 1.00 0.00 H new ATOM 0 HG SER A 24 -8.710 -13.411 17.198 1.00 0.00 H new ATOM 374 N LYS A 25 -11.587 -13.156 13.102 1.00 0.00 N ATOM 375 CA LYS A 25 -12.634 -12.519 12.322 1.00 0.00 C ATOM 376 C LYS A 25 -12.683 -11.028 12.664 1.00 0.00 C ATOM 377 O LYS A 25 -12.515 -10.181 11.788 1.00 0.00 O ATOM 378 CB LYS A 25 -13.968 -13.240 12.525 1.00 0.00 C ATOM 379 CG LYS A 25 -15.033 -12.704 11.566 1.00 0.00 C ATOM 380 CD LYS A 25 -16.440 -12.962 12.109 1.00 0.00 C ATOM 381 CE LYS A 25 -17.457 -13.066 10.971 1.00 0.00 C ATOM 382 NZ LYS A 25 -18.710 -12.364 11.329 1.00 0.00 N ATOM 0 H LYS A 25 -11.889 -13.970 13.637 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.415 -12.596 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.835 -14.310 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.302 -13.111 13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.888 -11.634 11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.923 -13.180 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.445 -13.883 12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.726 -12.156 12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.039 -12.635 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.668 -14.114 10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.336 -12.327 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.186 -12.875 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.489 -11.396 11.639 1.00 0.00 H new ATOM 396 N GLU A 26 -12.913 -10.753 13.939 1.00 0.00 N ATOM 397 CA GLU A 26 -12.986 -9.380 14.407 1.00 0.00 C ATOM 398 C GLU A 26 -11.687 -8.639 14.084 1.00 0.00 C ATOM 399 O GLU A 26 -11.715 -7.483 13.665 1.00 0.00 O ATOM 400 CB GLU A 26 -13.288 -9.327 15.906 1.00 0.00 C ATOM 401 CG GLU A 26 -14.587 -8.565 16.177 1.00 0.00 C ATOM 402 CD GLU A 26 -14.358 -7.053 16.123 1.00 0.00 C ATOM 403 OE1 GLU A 26 -13.543 -6.633 15.272 1.00 0.00 O ATOM 404 OE2 GLU A 26 -15.001 -6.352 16.933 1.00 0.00 O ATOM 0 H GLU A 26 -13.051 -11.458 14.663 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.805 -8.883 13.886 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.367 -10.340 16.301 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.463 -8.844 16.430 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.339 -8.849 15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.978 -8.842 17.156 1.00 0.00 H new ATOM 411 N GLU A 27 -10.579 -9.336 14.291 1.00 0.00 N ATOM 412 CA GLU A 27 -9.272 -8.759 14.027 1.00 0.00 C ATOM 413 C GLU A 27 -9.159 -8.350 12.556 1.00 0.00 C ATOM 414 O GLU A 27 -8.905 -7.187 12.249 1.00 0.00 O ATOM 415 CB GLU A 27 -8.155 -9.731 14.413 1.00 0.00 C ATOM 416 CG GLU A 27 -7.621 -9.424 15.814 1.00 0.00 C ATOM 417 CD GLU A 27 -6.129 -9.747 15.915 1.00 0.00 C ATOM 418 OE1 GLU A 27 -5.735 -10.791 15.353 1.00 0.00 O ATOM 419 OE2 GLU A 27 -5.416 -8.942 16.552 1.00 0.00 O ATOM 0 H GLU A 27 -10.560 -10.295 14.638 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.160 -7.866 14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.530 -10.754 14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.344 -9.665 13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.786 -8.372 16.047 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.173 -10.005 16.553 1.00 0.00 H new ATOM 426 N LEU A 28 -9.353 -9.331 11.687 1.00 0.00 N ATOM 427 CA LEU A 28 -9.277 -9.088 10.256 1.00 0.00 C ATOM 428 C LEU A 28 -10.302 -8.021 9.869 1.00 0.00 C ATOM 429 O LEU A 28 -10.002 -7.124 9.082 1.00 0.00 O ATOM 430 CB LEU A 28 -9.431 -10.399 9.482 1.00 0.00 C ATOM 431 CG LEU A 28 -8.662 -10.492 8.162 1.00 0.00 C ATOM 432 CD1 LEU A 28 -7.295 -9.815 8.275 1.00 0.00 C ATOM 433 CD2 LEU A 28 -8.545 -11.945 7.698 1.00 0.00 C ATOM 0 H LEU A 28 -9.563 -10.295 11.946 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.295 -8.699 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.110 -11.218 10.126 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.490 -10.553 9.275 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.225 -9.954 7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.769 -9.895 7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.430 -8.763 8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.711 -10.303 9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.994 -11.984 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.016 -12.526 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.542 -12.362 7.552 1.00 0.00 H new ATOM 445 N LYS A 29 -11.490 -8.152 10.440 1.00 0.00 N ATOM 446 CA LYS A 29 -12.561 -7.210 10.164 1.00 0.00 C ATOM 447 C LYS A 29 -11.986 -5.794 10.105 1.00 0.00 C ATOM 448 O LYS A 29 -12.168 -5.087 9.114 1.00 0.00 O ATOM 449 CB LYS A 29 -13.693 -7.372 11.181 1.00 0.00 C ATOM 450 CG LYS A 29 -14.944 -6.613 10.735 1.00 0.00 C ATOM 451 CD LYS A 29 -15.960 -6.512 11.875 1.00 0.00 C ATOM 452 CE LYS A 29 -16.522 -5.093 11.984 1.00 0.00 C ATOM 453 NZ LYS A 29 -17.702 -5.070 12.877 1.00 0.00 N ATOM 0 H LYS A 29 -11.735 -8.897 11.093 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.007 -7.415 9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.929 -8.429 11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.368 -7.004 12.154 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.667 -5.613 10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.397 -7.120 9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.774 -7.217 11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.486 -6.793 12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.755 -4.420 12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.800 -4.729 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -18.071 -4.100 12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -18.439 -5.697 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.427 -5.398 13.825 1.00 0.00 H new ATOM 467 N LEU A 30 -11.304 -5.421 11.177 1.00 0.00 N ATOM 468 CA LEU A 30 -10.701 -4.102 11.260 1.00 0.00 C ATOM 469 C LEU A 30 -9.805 -3.878 10.040 1.00 0.00 C ATOM 470 O LEU A 30 -10.024 -2.947 9.266 1.00 0.00 O ATOM 471 CB LEU A 30 -9.976 -3.927 12.596 1.00 0.00 C ATOM 472 CG LEU A 30 -10.777 -4.294 13.847 1.00 0.00 C ATOM 473 CD1 LEU A 30 -10.038 -5.341 14.683 1.00 0.00 C ATOM 474 CD2 LEU A 30 -11.121 -3.047 14.663 1.00 0.00 C ATOM 0 H LEU A 30 -11.155 -6.010 11.997 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.470 -3.330 11.238 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.071 -4.534 12.578 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.661 -2.887 12.682 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.719 -4.741 13.531 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.629 -5.584 15.566 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.887 -6.242 14.088 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.071 -4.944 14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.690 -3.336 15.546 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.202 -2.548 14.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.716 -2.367 14.054 1.00 0.00 H new ATOM 486 N LEU A 31 -8.814 -4.747 9.906 1.00 0.00 N ATOM 487 CA LEU A 31 -7.883 -4.656 8.794 1.00 0.00 C ATOM 488 C LEU A 31 -8.668 -4.476 7.492 1.00 0.00 C ATOM 489 O LEU A 31 -8.570 -3.435 6.844 1.00 0.00 O ATOM 490 CB LEU A 31 -6.942 -5.863 8.782 1.00 0.00 C ATOM 491 CG LEU A 31 -5.602 -5.661 8.072 1.00 0.00 C ATOM 492 CD1 LEU A 31 -4.433 -5.983 9.006 1.00 0.00 C ATOM 493 CD2 LEU A 31 -5.541 -6.471 6.776 1.00 0.00 C ATOM 0 H LEU A 31 -8.635 -5.518 10.549 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.241 -3.782 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.744 -6.155 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.459 -6.697 8.309 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.515 -4.610 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.492 -5.831 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.470 -5.326 9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.503 -7.021 9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.578 -6.310 6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.660 -7.530 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.341 -6.151 6.109 1.00 0.00 H new ATOM 505 N LEU A 32 -9.427 -5.506 7.149 1.00 0.00 N ATOM 506 CA LEU A 32 -10.228 -5.474 5.937 1.00 0.00 C ATOM 507 C LEU A 32 -10.994 -4.151 5.871 1.00 0.00 C ATOM 508 O LEU A 32 -11.375 -3.703 4.791 1.00 0.00 O ATOM 509 CB LEU A 32 -11.127 -6.710 5.856 1.00 0.00 C ATOM 510 CG LEU A 32 -10.418 -8.062 5.951 1.00 0.00 C ATOM 511 CD1 LEU A 32 -11.418 -9.188 6.221 1.00 0.00 C ATOM 512 CD2 LEU A 32 -9.578 -8.330 4.700 1.00 0.00 C ATOM 0 H LEU A 32 -9.504 -6.368 7.689 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.587 -5.516 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.864 -6.652 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.675 -6.675 4.915 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.733 -8.029 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.888 -10.138 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.935 -8.998 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.145 -9.231 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.085 -9.297 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.224 -8.335 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.826 -7.548 4.592 1.00 0.00 H new ATOM 524 N GLN A 33 -11.196 -3.563 7.041 1.00 0.00 N ATOM 525 CA GLN A 33 -11.910 -2.300 7.130 1.00 0.00 C ATOM 526 C GLN A 33 -11.067 -1.171 6.535 1.00 0.00 C ATOM 527 O GLN A 33 -11.449 -0.567 5.533 1.00 0.00 O ATOM 528 CB GLN A 33 -12.298 -1.990 8.577 1.00 0.00 C ATOM 529 CG GLN A 33 -13.735 -1.472 8.660 1.00 0.00 C ATOM 530 CD GLN A 33 -14.029 -0.889 10.044 1.00 0.00 C ATOM 531 OE1 GLN A 33 -14.201 0.306 10.219 1.00 0.00 O ATOM 532 NE2 GLN A 33 -14.076 -1.798 11.015 1.00 0.00 N ATOM 0 H GLN A 33 -10.878 -3.937 7.935 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.830 -2.384 6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.196 -2.889 9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.615 -1.247 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.895 -0.709 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -14.431 -2.284 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.923 -2.783 10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.265 -1.510 11.975 1.00 0.00 H new ATOM 541 N THR A 34 -9.935 -0.919 7.176 1.00 0.00 N ATOM 542 CA THR A 34 -9.034 0.127 6.722 1.00 0.00 C ATOM 543 C THR A 34 -8.195 -0.367 5.542 1.00 0.00 C ATOM 544 O THR A 34 -8.100 0.308 4.518 1.00 0.00 O ATOM 545 CB THR A 34 -8.194 0.578 7.918 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.783 1.816 8.309 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.765 0.955 7.521 1.00 0.00 C ATOM 0 H THR A 34 -9.621 -1.421 8.006 1.00 0.00 H new ATOM 0 HA THR A 34 -9.585 0.990 6.349 1.00 0.00 H new ATOM 0 HB THR A 34 -8.166 -0.218 8.662 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.300 2.179 9.081 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.212 1.268 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.273 0.093 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.791 1.774 6.802 1.00 0.00 H new ATOM 555 N GLU A 35 -7.607 -1.540 5.724 1.00 0.00 N ATOM 556 CA GLU A 35 -6.779 -2.132 4.687 1.00 0.00 C ATOM 557 C GLU A 35 -7.492 -2.063 3.335 1.00 0.00 C ATOM 558 O GLU A 35 -6.974 -1.480 2.385 1.00 0.00 O ATOM 559 CB GLU A 35 -6.407 -3.573 5.039 1.00 0.00 C ATOM 560 CG GLU A 35 -5.660 -4.244 3.884 1.00 0.00 C ATOM 561 CD GLU A 35 -4.208 -3.766 3.819 1.00 0.00 C ATOM 562 OE1 GLU A 35 -3.378 -4.376 4.526 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.962 -2.802 3.062 1.00 0.00 O ATOM 0 H GLU A 35 -7.688 -2.097 6.575 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.854 -1.560 4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.785 -3.584 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.309 -4.139 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.685 -5.326 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.163 -4.021 2.943 1.00 0.00 H new ATOM 570 N PHE A 36 -8.670 -2.669 3.292 1.00 0.00 N ATOM 571 CA PHE A 36 -9.459 -2.684 2.073 1.00 0.00 C ATOM 572 C PHE A 36 -10.954 -2.777 2.388 1.00 0.00 C ATOM 573 O PHE A 36 -11.508 -3.873 2.467 1.00 0.00 O ATOM 574 CB PHE A 36 -9.038 -3.925 1.283 1.00 0.00 C ATOM 575 CG PHE A 36 -7.709 -3.769 0.542 1.00 0.00 C ATOM 576 CD1 PHE A 36 -7.531 -2.738 -0.327 1.00 0.00 C ATOM 577 CD2 PHE A 36 -6.704 -4.662 0.752 1.00 0.00 C ATOM 578 CE1 PHE A 36 -6.297 -2.594 -1.015 1.00 0.00 C ATOM 579 CE2 PHE A 36 -5.470 -4.517 0.065 1.00 0.00 C ATOM 580 CZ PHE A 36 -5.293 -3.487 -0.804 1.00 0.00 C ATOM 0 H PHE A 36 -9.096 -3.153 4.082 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.290 -1.766 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.964 -4.771 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.819 -4.166 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.328 -2.029 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.845 -5.481 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.156 -1.776 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.672 -5.225 0.233 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.355 -3.378 -1.327 1.00 0.00 H new ATOM 590 N PRO A 37 -11.580 -1.583 2.564 1.00 0.00 N ATOM 591 CA PRO A 37 -12.999 -1.520 2.868 1.00 0.00 C ATOM 592 C PRO A 37 -13.840 -1.817 1.626 1.00 0.00 C ATOM 593 O PRO A 37 -15.069 -1.813 1.688 1.00 0.00 O ATOM 594 CB PRO A 37 -13.222 -0.119 3.415 1.00 0.00 C ATOM 595 CG PRO A 37 -12.023 0.700 2.965 1.00 0.00 C ATOM 596 CD PRO A 37 -10.955 -0.266 2.477 1.00 0.00 C ATOM 0 HA PRO A 37 -13.307 -2.271 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.151 0.306 3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.300 -0.132 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.308 1.388 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.643 1.305 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.652 -0.038 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.059 -0.211 3.095 1.00 0.00 H new ATOM 604 N SER A 38 -13.145 -2.068 0.526 1.00 0.00 N ATOM 605 CA SER A 38 -13.813 -2.366 -0.730 1.00 0.00 C ATOM 606 C SER A 38 -14.040 -3.874 -0.856 1.00 0.00 C ATOM 607 O SER A 38 -15.053 -4.310 -1.401 1.00 0.00 O ATOM 608 CB SER A 38 -13.003 -1.850 -1.921 1.00 0.00 C ATOM 609 OG SER A 38 -13.749 -0.933 -2.716 1.00 0.00 O ATOM 0 H SER A 38 -12.126 -2.071 0.478 1.00 0.00 H new ATOM 0 HA SER A 38 -14.777 -1.858 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.097 -1.363 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.688 -2.692 -2.538 1.00 0.00 H new ATOM 0 HG SER A 38 -13.197 -0.625 -3.465 1.00 0.00 H new ATOM 615 N LEU A 39 -13.081 -4.630 -0.342 1.00 0.00 N ATOM 616 CA LEU A 39 -13.163 -6.080 -0.390 1.00 0.00 C ATOM 617 C LEU A 39 -14.293 -6.553 0.528 1.00 0.00 C ATOM 618 O LEU A 39 -14.814 -7.654 0.359 1.00 0.00 O ATOM 619 CB LEU A 39 -11.805 -6.705 -0.066 1.00 0.00 C ATOM 620 CG LEU A 39 -11.133 -7.476 -1.204 1.00 0.00 C ATOM 621 CD1 LEU A 39 -11.743 -8.870 -1.357 1.00 0.00 C ATOM 622 CD2 LEU A 39 -11.184 -6.681 -2.510 1.00 0.00 C ATOM 0 H LEU A 39 -12.243 -4.265 0.110 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.409 -6.414 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.130 -5.912 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.931 -7.381 0.780 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.082 -7.611 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.247 -9.397 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.610 -9.429 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.807 -8.780 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.700 -7.252 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.223 -6.493 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.666 -5.731 -2.378 1.00 0.00 H new ATOM 634 N LEU A 40 -14.637 -5.697 1.478 1.00 0.00 N ATOM 635 CA LEU A 40 -15.695 -6.013 2.423 1.00 0.00 C ATOM 636 C LEU A 40 -17.051 -5.888 1.724 1.00 0.00 C ATOM 637 O LEU A 40 -18.011 -6.557 2.101 1.00 0.00 O ATOM 638 CB LEU A 40 -15.568 -5.149 3.679 1.00 0.00 C ATOM 639 CG LEU A 40 -14.345 -5.419 4.558 1.00 0.00 C ATOM 640 CD1 LEU A 40 -14.205 -4.351 5.644 1.00 0.00 C ATOM 641 CD2 LEU A 40 -14.393 -6.831 5.145 1.00 0.00 C ATOM 0 H LEU A 40 -14.202 -4.784 1.614 1.00 0.00 H new ATOM 0 HA LEU A 40 -15.606 -7.044 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.549 -4.102 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -16.464 -5.289 4.284 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.454 -5.361 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.328 -4.566 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.092 -3.372 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.095 -4.353 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.512 -6.997 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.291 -6.942 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -14.410 -7.561 4.336 1.00 0.00 H new ATOM 653 N LYS A 41 -17.085 -5.025 0.719 1.00 0.00 N ATOM 654 CA LYS A 41 -18.307 -4.803 -0.035 1.00 0.00 C ATOM 655 C LYS A 41 -18.609 -6.039 -0.884 1.00 0.00 C ATOM 656 O LYS A 41 -19.768 -6.325 -1.180 1.00 0.00 O ATOM 657 CB LYS A 41 -18.209 -3.509 -0.846 1.00 0.00 C ATOM 658 CG LYS A 41 -17.585 -3.769 -2.219 1.00 0.00 C ATOM 659 CD LYS A 41 -18.656 -3.789 -3.312 1.00 0.00 C ATOM 660 CE LYS A 41 -18.050 -3.461 -4.678 1.00 0.00 C ATOM 661 NZ LYS A 41 -18.301 -4.562 -5.634 1.00 0.00 N ATOM 0 H LYS A 41 -16.286 -4.471 0.410 1.00 0.00 H new ATOM 0 HA LYS A 41 -19.151 -4.665 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.202 -3.077 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.609 -2.779 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.849 -2.996 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.054 -4.721 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.128 -4.771 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.437 -3.067 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.479 -2.535 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.977 -3.297 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.883 -4.323 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.871 -5.438 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.326 -4.700 -5.744 1.00 0.00 H new ATOM 675 N GLY A 42 -17.546 -6.739 -1.251 1.00 0.00 N ATOM 676 CA GLY A 42 -17.682 -7.939 -2.060 1.00 0.00 C ATOM 677 C GLY A 42 -18.834 -8.811 -1.557 1.00 0.00 C ATOM 678 O GLY A 42 -19.379 -8.566 -0.482 1.00 0.00 O ATOM 0 H GLY A 42 -16.586 -6.498 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -17.857 -7.663 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.752 -8.507 -2.033 1.00 0.00 H new ATOM 682 N MET A 43 -19.170 -9.812 -2.359 1.00 0.00 N ATOM 683 CA MET A 43 -20.247 -10.722 -2.008 1.00 0.00 C ATOM 684 C MET A 43 -19.814 -11.682 -0.899 1.00 0.00 C ATOM 685 O MET A 43 -20.615 -12.481 -0.416 1.00 0.00 O ATOM 686 CB MET A 43 -20.661 -11.523 -3.244 1.00 0.00 C ATOM 687 CG MET A 43 -21.142 -10.596 -4.362 1.00 0.00 C ATOM 688 SD MET A 43 -20.201 -10.895 -5.850 1.00 0.00 S ATOM 689 CE MET A 43 -20.611 -9.425 -6.776 1.00 0.00 C ATOM 0 H MET A 43 -18.715 -10.012 -3.250 1.00 0.00 H new ATOM 0 HA MET A 43 -21.090 -10.135 -1.645 1.00 0.00 H new ATOM 0 HB2 MET A 43 -19.817 -12.117 -3.596 1.00 0.00 H new ATOM 0 HB3 MET A 43 -21.454 -12.222 -2.980 1.00 0.00 H new ATOM 0 HG2 MET A 43 -22.202 -10.762 -4.553 1.00 0.00 H new ATOM 0 HG3 MET A 43 -21.033 -9.556 -4.055 1.00 0.00 H new ATOM 0 HE1 MET A 43 -20.103 -9.449 -7.740 1.00 0.00 H new ATOM 0 HE2 MET A 43 -21.689 -9.383 -6.934 1.00 0.00 H new ATOM 0 HE3 MET A 43 -20.292 -8.544 -6.220 1.00 0.00 H new ATOM 699 N SER A 44 -18.547 -11.572 -0.526 1.00 0.00 N ATOM 700 CA SER A 44 -17.998 -12.421 0.518 1.00 0.00 C ATOM 701 C SER A 44 -18.125 -11.729 1.876 1.00 0.00 C ATOM 702 O SER A 44 -17.302 -10.884 2.226 1.00 0.00 O ATOM 703 CB SER A 44 -16.535 -12.767 0.234 1.00 0.00 C ATOM 704 OG SER A 44 -16.041 -13.768 1.119 1.00 0.00 O ATOM 0 H SER A 44 -17.885 -10.908 -0.928 1.00 0.00 H new ATOM 0 HA SER A 44 -18.566 -13.351 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.438 -13.113 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.925 -11.868 0.327 1.00 0.00 H new ATOM 0 HG SER A 44 -15.220 -14.155 0.749 1.00 0.00 H new ATOM 710 N THR A 45 -19.163 -12.112 2.605 1.00 0.00 N ATOM 711 CA THR A 45 -19.408 -11.539 3.918 1.00 0.00 C ATOM 712 C THR A 45 -18.267 -11.889 4.875 1.00 0.00 C ATOM 713 O THR A 45 -17.412 -12.712 4.552 1.00 0.00 O ATOM 714 CB THR A 45 -20.776 -12.028 4.399 1.00 0.00 C ATOM 715 OG1 THR A 45 -20.660 -13.448 4.389 1.00 0.00 O ATOM 716 CG2 THR A 45 -21.889 -11.738 3.390 1.00 0.00 C ATOM 0 H THR A 45 -19.844 -12.812 2.311 1.00 0.00 H new ATOM 0 HA THR A 45 -19.432 -10.450 3.876 1.00 0.00 H new ATOM 0 HB THR A 45 -21.017 -11.555 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 45 -21.503 -13.847 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 45 -22.838 -12.105 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 45 -21.957 -10.663 3.222 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.666 -12.239 2.448 1.00 0.00 H new ATOM 724 N LEU A 46 -18.291 -11.247 6.033 1.00 0.00 N ATOM 725 CA LEU A 46 -17.269 -11.480 7.039 1.00 0.00 C ATOM 726 C LEU A 46 -17.136 -12.984 7.286 1.00 0.00 C ATOM 727 O LEU A 46 -16.096 -13.575 6.998 1.00 0.00 O ATOM 728 CB LEU A 46 -17.569 -10.673 8.304 1.00 0.00 C ATOM 729 CG LEU A 46 -16.351 -10.190 9.095 1.00 0.00 C ATOM 730 CD1 LEU A 46 -15.285 -9.613 8.162 1.00 0.00 C ATOM 731 CD2 LEU A 46 -16.763 -9.192 10.180 1.00 0.00 C ATOM 0 H LEU A 46 -19.002 -10.565 6.297 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.300 -11.128 6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.164 -9.804 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -18.187 -11.283 8.963 1.00 0.00 H new ATOM 0 HG LEU A 46 -15.908 -11.049 9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.430 -9.277 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -14.963 -10.381 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -15.701 -8.769 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.879 -8.864 10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -17.244 -8.330 9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.460 -9.670 10.869 1.00 0.00 H new ATOM 743 N ASP A 47 -18.204 -13.561 7.817 1.00 0.00 N ATOM 744 CA ASP A 47 -18.220 -14.985 8.106 1.00 0.00 C ATOM 745 C ASP A 47 -17.632 -15.748 6.918 1.00 0.00 C ATOM 746 O ASP A 47 -16.732 -16.569 7.087 1.00 0.00 O ATOM 747 CB ASP A 47 -19.648 -15.485 8.330 1.00 0.00 C ATOM 748 CG ASP A 47 -19.828 -16.411 9.535 1.00 0.00 C ATOM 749 OD1 ASP A 47 -19.721 -15.895 10.668 1.00 0.00 O ATOM 750 OD2 ASP A 47 -20.067 -17.614 9.295 1.00 0.00 O ATOM 0 H ASP A 47 -19.065 -13.068 8.055 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.634 -15.153 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -20.304 -14.623 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -19.977 -16.011 7.434 1.00 0.00 H new ATOM 755 N GLU A 48 -18.165 -15.451 5.742 1.00 0.00 N ATOM 756 CA GLU A 48 -17.705 -16.099 4.526 1.00 0.00 C ATOM 757 C GLU A 48 -16.192 -15.931 4.375 1.00 0.00 C ATOM 758 O GLU A 48 -15.483 -16.891 4.079 1.00 0.00 O ATOM 759 CB GLU A 48 -18.442 -15.554 3.301 1.00 0.00 C ATOM 760 CG GLU A 48 -19.375 -16.612 2.707 1.00 0.00 C ATOM 761 CD GLU A 48 -19.544 -16.409 1.200 1.00 0.00 C ATOM 762 OE1 GLU A 48 -20.370 -15.546 0.833 1.00 0.00 O ATOM 763 OE2 GLU A 48 -18.845 -17.123 0.449 1.00 0.00 O ATOM 0 H GLU A 48 -18.912 -14.770 5.606 1.00 0.00 H new ATOM 0 HA GLU A 48 -17.928 -17.164 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.018 -14.672 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.720 -15.237 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.973 -17.607 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.348 -16.560 3.196 1.00 0.00 H new ATOM 770 N LEU A 49 -15.741 -14.702 4.585 1.00 0.00 N ATOM 771 CA LEU A 49 -14.325 -14.396 4.477 1.00 0.00 C ATOM 772 C LEU A 49 -13.551 -15.206 5.518 1.00 0.00 C ATOM 773 O LEU A 49 -12.540 -15.830 5.197 1.00 0.00 O ATOM 774 CB LEU A 49 -14.095 -12.886 4.577 1.00 0.00 C ATOM 775 CG LEU A 49 -13.044 -12.304 3.628 1.00 0.00 C ATOM 776 CD1 LEU A 49 -13.681 -11.865 2.308 1.00 0.00 C ATOM 777 CD2 LEU A 49 -12.272 -11.166 4.298 1.00 0.00 C ATOM 0 H LEU A 49 -16.332 -13.907 4.829 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.945 -14.690 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.043 -12.381 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.803 -12.650 5.600 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.324 -13.088 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.913 -11.455 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.149 -12.724 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.435 -11.103 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.532 -10.770 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.965 -10.373 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.769 -11.543 5.188 1.00 0.00 H new ATOM 789 N PHE A 50 -14.054 -15.172 6.743 1.00 0.00 N ATOM 790 CA PHE A 50 -13.422 -15.895 7.832 1.00 0.00 C ATOM 791 C PHE A 50 -13.298 -17.384 7.503 1.00 0.00 C ATOM 792 O PHE A 50 -12.211 -17.954 7.590 1.00 0.00 O ATOM 793 CB PHE A 50 -14.321 -15.730 9.059 1.00 0.00 C ATOM 794 CG PHE A 50 -13.698 -16.240 10.361 1.00 0.00 C ATOM 795 CD1 PHE A 50 -12.433 -15.872 10.698 1.00 0.00 C ATOM 796 CD2 PHE A 50 -14.409 -17.060 11.180 1.00 0.00 C ATOM 797 CE1 PHE A 50 -11.854 -16.344 11.906 1.00 0.00 C ATOM 798 CE2 PHE A 50 -13.830 -17.533 12.387 1.00 0.00 C ATOM 799 CZ PHE A 50 -12.565 -17.165 12.725 1.00 0.00 C ATOM 0 H PHE A 50 -14.893 -14.654 7.005 1.00 0.00 H new ATOM 0 HA PHE A 50 -12.420 -15.504 8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -14.569 -14.675 9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -15.257 -16.260 8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.869 -15.221 10.047 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -15.414 -17.351 10.912 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.850 -16.051 12.174 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.394 -18.185 13.037 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.125 -17.525 13.643 1.00 0.00 H new ATOM 809 N GLU A 51 -14.426 -17.971 7.131 1.00 0.00 N ATOM 810 CA GLU A 51 -14.456 -19.383 6.787 1.00 0.00 C ATOM 811 C GLU A 51 -13.569 -19.653 5.570 1.00 0.00 C ATOM 812 O GLU A 51 -12.816 -20.625 5.550 1.00 0.00 O ATOM 813 CB GLU A 51 -15.890 -19.855 6.536 1.00 0.00 C ATOM 814 CG GLU A 51 -16.425 -20.643 7.733 1.00 0.00 C ATOM 815 CD GLU A 51 -17.246 -19.743 8.659 1.00 0.00 C ATOM 816 OE1 GLU A 51 -16.621 -19.114 9.540 1.00 0.00 O ATOM 817 OE2 GLU A 51 -18.480 -19.703 8.464 1.00 0.00 O ATOM 0 H GLU A 51 -15.325 -17.495 7.060 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.063 -19.951 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.532 -18.995 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.920 -20.479 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.043 -21.470 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.594 -21.079 8.287 1.00 0.00 H new ATOM 824 N GLU A 52 -13.687 -18.774 4.585 1.00 0.00 N ATOM 825 CA GLU A 52 -12.905 -18.905 3.368 1.00 0.00 C ATOM 826 C GLU A 52 -11.410 -18.846 3.688 1.00 0.00 C ATOM 827 O GLU A 52 -10.658 -19.748 3.325 1.00 0.00 O ATOM 828 CB GLU A 52 -13.291 -17.831 2.350 1.00 0.00 C ATOM 829 CG GLU A 52 -12.727 -18.158 0.966 1.00 0.00 C ATOM 830 CD GLU A 52 -13.309 -17.226 -0.098 1.00 0.00 C ATOM 831 OE1 GLU A 52 -14.362 -17.595 -0.662 1.00 0.00 O ATOM 832 OE2 GLU A 52 -12.689 -16.165 -0.324 1.00 0.00 O ATOM 0 H GLU A 52 -14.313 -17.969 4.606 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.123 -19.876 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.377 -17.751 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.917 -16.862 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.641 -18.065 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.955 -19.193 0.712 1.00 0.00 H new ATOM 839 N LEU A 53 -11.025 -17.774 4.365 1.00 0.00 N ATOM 840 CA LEU A 53 -9.634 -17.584 4.738 1.00 0.00 C ATOM 841 C LEU A 53 -9.138 -18.823 5.486 1.00 0.00 C ATOM 842 O LEU A 53 -8.153 -19.442 5.085 1.00 0.00 O ATOM 843 CB LEU A 53 -9.462 -16.282 5.523 1.00 0.00 C ATOM 844 CG LEU A 53 -9.916 -15.006 4.812 1.00 0.00 C ATOM 845 CD1 LEU A 53 -10.470 -13.988 5.811 1.00 0.00 C ATOM 846 CD2 LEU A 53 -8.785 -14.419 3.964 1.00 0.00 C ATOM 0 H LEU A 53 -11.653 -17.028 4.665 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.012 -17.477 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.014 -16.369 6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.409 -16.174 5.783 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.728 -15.265 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.785 -13.091 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.324 -14.419 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.696 -13.728 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.134 -13.513 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.937 -14.179 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.478 -15.147 3.213 1.00 0.00 H new ATOM 858 N ASP A 54 -9.843 -19.149 6.559 1.00 0.00 N ATOM 859 CA ASP A 54 -9.486 -20.303 7.367 1.00 0.00 C ATOM 860 C ASP A 54 -9.823 -21.582 6.598 1.00 0.00 C ATOM 861 O ASP A 54 -10.979 -21.999 6.556 1.00 0.00 O ATOM 862 CB ASP A 54 -10.272 -20.320 8.680 1.00 0.00 C ATOM 863 CG ASP A 54 -9.911 -21.460 9.635 1.00 0.00 C ATOM 864 OD1 ASP A 54 -8.862 -21.330 10.302 1.00 0.00 O ATOM 865 OD2 ASP A 54 -10.692 -22.435 9.676 1.00 0.00 O ATOM 0 H ASP A 54 -10.660 -18.634 6.888 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.420 -20.245 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.113 -19.372 9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.335 -20.383 8.449 1.00 0.00 H new ATOM 870 N LYS A 55 -8.791 -22.168 6.008 1.00 0.00 N ATOM 871 CA LYS A 55 -8.963 -23.391 5.243 1.00 0.00 C ATOM 872 C LYS A 55 -8.274 -24.546 5.973 1.00 0.00 C ATOM 873 O LYS A 55 -8.562 -25.712 5.708 1.00 0.00 O ATOM 874 CB LYS A 55 -8.477 -23.196 3.805 1.00 0.00 C ATOM 875 CG LYS A 55 -9.646 -22.886 2.868 1.00 0.00 C ATOM 876 CD LYS A 55 -9.163 -22.170 1.605 1.00 0.00 C ATOM 877 CE LYS A 55 -8.483 -23.150 0.646 1.00 0.00 C ATOM 878 NZ LYS A 55 -7.911 -22.428 -0.512 1.00 0.00 N ATOM 0 H LYS A 55 -7.833 -21.818 6.044 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.020 -23.647 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.752 -22.383 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.963 -24.096 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.152 -23.812 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.376 -22.264 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.008 -21.695 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.465 -21.377 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.696 -23.693 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.205 -23.890 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.453 -23.107 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.670 -21.930 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.207 -21.739 -0.178 1.00 0.00 H new ATOM 892 N ASN A 56 -7.378 -24.181 6.878 1.00 0.00 N ATOM 893 CA ASN A 56 -6.646 -25.172 7.648 1.00 0.00 C ATOM 894 C ASN A 56 -7.591 -25.826 8.658 1.00 0.00 C ATOM 895 O ASN A 56 -7.563 -27.042 8.843 1.00 0.00 O ATOM 896 CB ASN A 56 -5.497 -24.527 8.425 1.00 0.00 C ATOM 897 CG ASN A 56 -4.653 -23.633 7.514 1.00 0.00 C ATOM 898 OD1 ASN A 56 -4.654 -22.417 7.620 1.00 0.00 O ATOM 899 ND2 ASN A 56 -3.934 -24.300 6.617 1.00 0.00 N ATOM 0 H ASN A 56 -7.142 -23.213 7.095 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.243 -25.909 6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.897 -23.937 9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.869 -25.303 8.863 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.337 -23.793 5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.979 -25.318 6.582 1.00 0.00 H new ATOM 906 N GLY A 57 -8.405 -24.990 9.286 1.00 0.00 N ATOM 907 CA GLY A 57 -9.357 -25.472 10.272 1.00 0.00 C ATOM 908 C GLY A 57 -8.801 -25.323 11.690 1.00 0.00 C ATOM 909 O GLY A 57 -8.623 -26.313 12.398 1.00 0.00 O ATOM 0 H GLY A 57 -8.425 -23.982 9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.291 -24.916 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.589 -26.519 10.077 1.00 0.00 H new ATOM 913 N ASP A 58 -8.540 -24.078 12.061 1.00 0.00 N ATOM 914 CA ASP A 58 -8.007 -23.787 13.381 1.00 0.00 C ATOM 915 C ASP A 58 -8.732 -22.571 13.962 1.00 0.00 C ATOM 916 O ASP A 58 -9.228 -22.618 15.087 1.00 0.00 O ATOM 917 CB ASP A 58 -6.515 -23.460 13.312 1.00 0.00 C ATOM 918 CG ASP A 58 -5.699 -24.354 12.377 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.564 -25.551 12.711 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.228 -23.821 11.349 1.00 0.00 O ATOM 0 H ASP A 58 -8.688 -23.259 11.471 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.154 -24.668 14.006 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.400 -22.424 12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.096 -23.532 14.316 1.00 0.00 H new ATOM 925 N GLY A 59 -8.771 -21.511 13.169 1.00 0.00 N ATOM 926 CA GLY A 59 -9.426 -20.284 13.590 1.00 0.00 C ATOM 927 C GLY A 59 -8.474 -19.091 13.492 1.00 0.00 C ATOM 928 O GLY A 59 -8.840 -17.970 13.839 1.00 0.00 O ATOM 0 H GLY A 59 -8.359 -21.476 12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.304 -20.105 12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.778 -20.389 14.616 1.00 0.00 H new ATOM 932 N GLU A 60 -7.270 -19.374 13.016 1.00 0.00 N ATOM 933 CA GLU A 60 -6.261 -18.338 12.868 1.00 0.00 C ATOM 934 C GLU A 60 -6.016 -18.045 11.386 1.00 0.00 C ATOM 935 O GLU A 60 -5.695 -18.948 10.616 1.00 0.00 O ATOM 936 CB GLU A 60 -4.961 -18.734 13.571 1.00 0.00 C ATOM 937 CG GLU A 60 -4.343 -19.974 12.922 1.00 0.00 C ATOM 938 CD GLU A 60 -3.145 -20.476 13.731 1.00 0.00 C ATOM 939 OE1 GLU A 60 -2.177 -19.694 13.857 1.00 0.00 O ATOM 940 OE2 GLU A 60 -3.224 -21.630 14.206 1.00 0.00 O ATOM 0 H GLU A 60 -6.970 -20.305 12.728 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.629 -17.428 13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.253 -17.906 13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.158 -18.931 14.625 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.092 -20.762 12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.027 -19.738 11.906 1.00 0.00 H new ATOM 947 N VAL A 61 -6.177 -16.778 11.033 1.00 0.00 N ATOM 948 CA VAL A 61 -5.977 -16.354 9.657 1.00 0.00 C ATOM 949 C VAL A 61 -4.573 -15.766 9.508 1.00 0.00 C ATOM 950 O VAL A 61 -4.418 -14.616 9.099 1.00 0.00 O ATOM 951 CB VAL A 61 -7.081 -15.378 9.245 1.00 0.00 C ATOM 952 CG1 VAL A 61 -6.742 -14.696 7.918 1.00 0.00 C ATOM 953 CG2 VAL A 61 -8.436 -16.084 9.168 1.00 0.00 C ATOM 0 H VAL A 61 -6.443 -16.032 11.675 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.046 -17.206 8.981 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.149 -14.606 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.543 -14.008 7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.808 -14.144 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.634 -15.450 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.203 -15.368 8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.387 -16.887 8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.685 -16.501 10.144 1.00 0.00 H new ATOM 963 N SER A 62 -3.585 -16.581 9.848 1.00 0.00 N ATOM 964 CA SER A 62 -2.199 -16.155 9.758 1.00 0.00 C ATOM 965 C SER A 62 -1.922 -15.566 8.373 1.00 0.00 C ATOM 966 O SER A 62 -2.714 -15.742 7.450 1.00 0.00 O ATOM 967 CB SER A 62 -1.246 -17.319 10.039 1.00 0.00 C ATOM 968 OG SER A 62 -1.943 -18.495 10.442 1.00 0.00 O ATOM 0 H SER A 62 -3.717 -17.534 10.186 1.00 0.00 H new ATOM 0 HA SER A 62 -2.027 -15.389 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.661 -17.533 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.541 -17.030 10.819 1.00 0.00 H new ATOM 0 HG SER A 62 -2.150 -19.039 9.654 1.00 0.00 H new ATOM 974 N PHE A 63 -0.794 -14.877 8.274 1.00 0.00 N ATOM 975 CA PHE A 63 -0.403 -14.260 7.018 1.00 0.00 C ATOM 976 C PHE A 63 -0.505 -15.257 5.862 1.00 0.00 C ATOM 977 O PHE A 63 -0.791 -14.872 4.729 1.00 0.00 O ATOM 978 CB PHE A 63 1.055 -13.821 7.170 1.00 0.00 C ATOM 979 CG PHE A 63 1.555 -12.920 6.039 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.834 -11.826 5.673 1.00 0.00 C ATOM 981 CD2 PHE A 63 2.719 -13.213 5.400 1.00 0.00 C ATOM 982 CE1 PHE A 63 1.298 -10.989 4.623 1.00 0.00 C ATOM 983 CE2 PHE A 63 3.183 -12.376 4.351 1.00 0.00 C ATOM 984 CZ PHE A 63 2.463 -11.282 3.984 1.00 0.00 C ATOM 0 H PHE A 63 -0.139 -14.733 9.043 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.060 -13.419 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.168 -13.294 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.687 -14.707 7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.091 -11.594 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.290 -14.082 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.726 -10.120 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.108 -12.608 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.816 -10.646 3.186 1.00 0.00 H new ATOM 994 N GLU A 64 -0.265 -16.518 6.188 1.00 0.00 N ATOM 995 CA GLU A 64 -0.327 -17.574 5.191 1.00 0.00 C ATOM 996 C GLU A 64 -1.652 -17.508 4.429 1.00 0.00 C ATOM 997 O GLU A 64 -1.664 -17.454 3.200 1.00 0.00 O ATOM 998 CB GLU A 64 -0.132 -18.948 5.834 1.00 0.00 C ATOM 999 CG GLU A 64 -0.803 -19.010 7.208 1.00 0.00 C ATOM 1000 CD GLU A 64 -1.714 -20.235 7.318 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -1.491 -21.180 6.531 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -2.611 -20.198 8.187 1.00 0.00 O ATOM 0 H GLU A 64 -0.027 -16.833 7.129 1.00 0.00 H new ATOM 0 HA GLU A 64 0.486 -17.424 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.549 -19.719 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.933 -19.158 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.042 -19.047 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.385 -18.103 7.374 1.00 0.00 H new ATOM 1009 N GLU A 65 -2.736 -17.514 5.190 1.00 0.00 N ATOM 1010 CA GLU A 65 -4.064 -17.456 4.602 1.00 0.00 C ATOM 1011 C GLU A 65 -4.313 -16.076 3.989 1.00 0.00 C ATOM 1012 O GLU A 65 -5.048 -15.951 3.012 1.00 0.00 O ATOM 1013 CB GLU A 65 -5.137 -17.798 5.637 1.00 0.00 C ATOM 1014 CG GLU A 65 -4.930 -19.206 6.197 1.00 0.00 C ATOM 1015 CD GLU A 65 -6.138 -19.650 7.025 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -6.778 -18.756 7.620 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -6.394 -20.874 7.045 1.00 0.00 O ATOM 0 H GLU A 65 -2.722 -17.558 6.209 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.122 -18.201 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.108 -17.072 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.124 -17.726 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.769 -19.907 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.033 -19.227 6.816 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.685 -15.075 4.590 1.00 0.00 N ATOM 1025 CA PHE A 66 -3.830 -13.710 4.115 1.00 0.00 C ATOM 1026 C PHE A 66 -3.385 -13.586 2.656 1.00 0.00 C ATOM 1027 O PHE A 66 -3.990 -12.849 1.879 1.00 0.00 O ATOM 1028 CB PHE A 66 -2.926 -12.835 4.987 1.00 0.00 C ATOM 1029 CG PHE A 66 -3.241 -11.340 4.906 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -2.896 -10.631 3.799 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -3.867 -10.721 5.943 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -3.189 -9.244 3.724 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -4.160 -9.333 5.868 1.00 0.00 C ATOM 1034 CZ PHE A 66 -3.815 -8.624 4.761 1.00 0.00 C ATOM 0 H PHE A 66 -3.075 -15.183 5.401 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.875 -13.404 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.015 -13.159 6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.889 -12.994 4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.399 -11.123 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.141 -11.284 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.915 -8.681 2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.657 -8.841 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.038 -7.569 4.704 1.00 0.00 H new ATOM 1044 N GLN A 67 -2.332 -14.320 2.328 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.800 -14.302 0.976 1.00 0.00 C ATOM 1046 C GLN A 67 -2.861 -14.776 -0.019 1.00 0.00 C ATOM 1047 O GLN A 67 -2.718 -14.581 -1.225 1.00 0.00 O ATOM 1048 CB GLN A 67 -0.534 -15.156 0.874 1.00 0.00 C ATOM 1049 CG GLN A 67 0.525 -14.688 1.874 1.00 0.00 C ATOM 1050 CD GLN A 67 1.935 -14.984 1.360 1.00 0.00 C ATOM 1051 OE1 GLN A 67 2.173 -15.942 0.643 1.00 0.00 O ATOM 1052 NE2 GLN A 67 2.853 -14.111 1.764 1.00 0.00 N ATOM 0 H GLN A 67 -1.833 -14.931 2.975 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.529 -13.276 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.780 -16.201 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.134 -15.100 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.416 -13.618 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.371 -15.186 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.586 -13.331 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.825 -14.222 1.474 1.00 0.00 H new ATOM 1061 N VAL A 68 -3.904 -15.388 0.523 1.00 0.00 N ATOM 1062 CA VAL A 68 -4.989 -15.891 -0.302 1.00 0.00 C ATOM 1063 C VAL A 68 -5.864 -14.720 -0.754 1.00 0.00 C ATOM 1064 O VAL A 68 -6.339 -14.697 -1.889 1.00 0.00 O ATOM 1065 CB VAL A 68 -5.771 -16.963 0.459 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -6.824 -17.615 -0.440 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.829 -18.013 1.051 1.00 0.00 C ATOM 0 H VAL A 68 -4.020 -15.547 1.524 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.597 -16.370 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.290 -16.476 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.366 -18.373 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.523 -16.856 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.334 -18.081 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.411 -18.763 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.269 -18.493 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.135 -17.532 1.740 1.00 0.00 H new ATOM 1077 N LEU A 69 -6.051 -13.776 0.157 1.00 0.00 N ATOM 1078 CA LEU A 69 -6.861 -12.605 -0.134 1.00 0.00 C ATOM 1079 C LEU A 69 -6.094 -11.684 -1.086 1.00 0.00 C ATOM 1080 O LEU A 69 -6.696 -11.003 -1.915 1.00 0.00 O ATOM 1081 CB LEU A 69 -7.300 -11.922 1.162 1.00 0.00 C ATOM 1082 CG LEU A 69 -8.642 -11.189 1.113 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -9.730 -12.078 0.509 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -9.032 -10.665 2.496 1.00 0.00 C ATOM 0 H LEU A 69 -5.656 -13.798 1.097 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.781 -12.894 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.349 -12.676 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.529 -11.208 1.452 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.534 -10.323 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.674 -11.533 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.448 -12.359 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.844 -12.976 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.990 -10.148 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.116 -11.500 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.269 -9.972 2.851 1.00 0.00 H new ATOM 1096 N VAL A 70 -4.778 -11.693 -0.935 1.00 0.00 N ATOM 1097 CA VAL A 70 -3.923 -10.867 -1.770 1.00 0.00 C ATOM 1098 C VAL A 70 -4.218 -11.162 -3.242 1.00 0.00 C ATOM 1099 O VAL A 70 -3.953 -10.332 -4.110 1.00 0.00 O ATOM 1100 CB VAL A 70 -2.456 -11.088 -1.398 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -1.538 -10.785 -2.584 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -2.068 -10.253 -0.176 1.00 0.00 C ATOM 0 H VAL A 70 -4.283 -12.260 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.130 -9.810 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.331 -12.139 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.501 -10.950 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.790 -11.442 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.668 -9.747 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.020 -10.429 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.217 -9.196 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.690 -10.539 0.672 1.00 0.00 H new ATOM 1112 N LYS A 71 -4.762 -12.347 -3.478 1.00 0.00 N ATOM 1113 CA LYS A 71 -5.095 -12.761 -4.830 1.00 0.00 C ATOM 1114 C LYS A 71 -6.282 -11.937 -5.334 1.00 0.00 C ATOM 1115 O LYS A 71 -6.243 -11.398 -6.439 1.00 0.00 O ATOM 1116 CB LYS A 71 -5.328 -14.272 -4.885 1.00 0.00 C ATOM 1117 CG LYS A 71 -4.722 -14.875 -6.154 1.00 0.00 C ATOM 1118 CD LYS A 71 -5.776 -15.647 -6.952 1.00 0.00 C ATOM 1119 CE LYS A 71 -5.608 -17.156 -6.764 1.00 0.00 C ATOM 1120 NZ LYS A 71 -6.549 -17.894 -7.636 1.00 0.00 N ATOM 0 H LYS A 71 -4.980 -13.033 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.261 -12.565 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.886 -14.744 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.398 -14.480 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.301 -14.082 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.902 -15.542 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.773 -15.346 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.692 -15.397 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.583 -17.446 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.785 -17.421 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.422 -18.917 -7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.526 -17.630 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.361 -17.654 -8.630 1.00 0.00 H new ATOM 1134 N LYS A 72 -7.308 -11.866 -4.499 1.00 0.00 N ATOM 1135 CA LYS A 72 -8.504 -11.116 -4.846 1.00 0.00 C ATOM 1136 C LYS A 72 -8.182 -9.621 -4.843 1.00 0.00 C ATOM 1137 O LYS A 72 -8.740 -8.861 -5.633 1.00 0.00 O ATOM 1138 CB LYS A 72 -9.662 -11.498 -3.922 1.00 0.00 C ATOM 1139 CG LYS A 72 -10.015 -12.980 -4.068 1.00 0.00 C ATOM 1140 CD LYS A 72 -9.127 -13.846 -3.172 1.00 0.00 C ATOM 1141 CE LYS A 72 -9.847 -15.134 -2.768 1.00 0.00 C ATOM 1142 NZ LYS A 72 -9.288 -16.292 -3.501 1.00 0.00 N ATOM 0 H LYS A 72 -7.336 -12.315 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.834 -11.369 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.392 -11.285 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.535 -10.888 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.062 -13.135 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.896 -13.285 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.203 -14.091 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.848 -13.286 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.746 -15.293 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.913 -15.043 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.788 -17.158 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.407 -16.146 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.276 -16.387 -3.280 1.00 0.00 H new ATOM 1156 N ILE A 73 -7.284 -9.243 -3.945 1.00 0.00 N ATOM 1157 CA ILE A 73 -6.881 -7.852 -3.829 1.00 0.00 C ATOM 1158 C ILE A 73 -5.961 -7.492 -4.997 1.00 0.00 C ATOM 1159 O ILE A 73 -5.635 -6.323 -5.199 1.00 0.00 O ATOM 1160 CB ILE A 73 -6.263 -7.586 -2.455 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -7.340 -7.535 -1.370 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -5.409 -6.316 -2.474 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -6.730 -7.738 0.019 1.00 0.00 C ATOM 0 H ILE A 73 -6.824 -9.876 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.750 -7.197 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.600 -8.417 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.854 -6.575 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.088 -8.305 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.982 -6.150 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.606 -6.428 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.031 -5.464 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.517 -7.697 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.237 -8.709 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.000 -6.952 0.214 1.00 0.00 H new ATOM 1175 N SER A 74 -5.567 -8.519 -5.736 1.00 0.00 N ATOM 1176 CA SER A 74 -4.690 -8.326 -6.879 1.00 0.00 C ATOM 1177 C SER A 74 -5.521 -8.085 -8.141 1.00 0.00 C ATOM 1178 O SER A 74 -5.228 -7.177 -8.917 1.00 0.00 O ATOM 1179 CB SER A 74 -3.767 -9.530 -7.074 1.00 0.00 C ATOM 1180 OG SER A 74 -2.859 -9.337 -8.156 1.00 0.00 O ATOM 0 H SER A 74 -5.839 -9.487 -5.566 1.00 0.00 H new ATOM 0 HA SER A 74 -4.067 -7.452 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.206 -9.709 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.367 -10.421 -7.259 1.00 0.00 H new ATOM 0 HG SER A 74 -2.286 -10.127 -8.247 1.00 0.00 H new ATOM 1186 N GLN A 75 -6.542 -8.914 -8.307 1.00 0.00 N ATOM 1187 CA GLN A 75 -7.417 -8.802 -9.461 1.00 0.00 C ATOM 1188 C GLN A 75 -8.270 -7.535 -9.360 1.00 0.00 C ATOM 1189 O GLN A 75 -8.320 -6.740 -10.296 1.00 0.00 O ATOM 1190 CB GLN A 75 -8.296 -10.045 -9.605 1.00 0.00 C ATOM 1191 CG GLN A 75 -8.287 -10.560 -11.045 1.00 0.00 C ATOM 1192 CD GLN A 75 -8.479 -12.078 -11.087 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -9.416 -12.595 -11.671 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -7.540 -12.759 -10.435 1.00 0.00 N ATOM 0 H GLN A 75 -6.782 -9.666 -7.661 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.799 -8.729 -10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.940 -10.826 -8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.317 -9.809 -9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.080 -10.074 -11.614 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.344 -10.296 -11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.782 -12.262 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.578 -13.778 -10.403 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -5.684 -21.128 9.768 1.00 0.00 LA