USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 465 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 1 THR OG1 : rot 57:sc= 1.43 USER MOD Set 1.2: A 3 TYR OH : rot 6:sc= -1.14! USER MOD Single : A 1 THR N :NH3+ -163:sc= 0.71 (180deg=0.501) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 4 LYS NZ :NH3+ 136:sc= -0.195 (180deg=-0.78) USER MOD Single : A 8 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.204 (180deg=-0.949) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.0246 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.023) USER MOD Single : A 37 LYS NZ :NH3+ 135:sc= -0.552 (180deg=-1.42) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 45 TYR OH : rot 15:sc= 0.636 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.753 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.526 -13.492 5.154 1.00 0.00 N ATOM 2 CA THR A 1 3.979 -13.425 3.740 1.00 0.00 C ATOM 3 C THR A 1 4.382 -12.005 3.358 1.00 0.00 C ATOM 4 O THR A 1 4.335 -11.091 4.183 1.00 0.00 O ATOM 5 CB THR A 1 2.840 -13.911 2.841 1.00 0.00 C ATOM 6 OG1 THR A 1 1.626 -13.264 3.175 1.00 0.00 O ATOM 7 CG2 THR A 1 2.605 -15.402 2.927 1.00 0.00 C ATOM 0 H1 THR A 1 3.534 -14.481 5.475 1.00 0.00 H new ATOM 0 H2 THR A 1 4.166 -12.930 5.751 1.00 0.00 H new ATOM 0 H3 THR A 1 2.561 -13.112 5.228 1.00 0.00 H new ATOM 0 HA THR A 1 4.856 -14.060 3.613 1.00 0.00 H new ATOM 0 HB THR A 1 3.150 -13.667 1.825 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.745 -12.293 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.785 -15.680 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.509 -15.931 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.352 -15.672 3.952 1.00 0.00 H new ATOM 17 N THR A 2 4.776 -11.824 2.101 1.00 0.00 N ATOM 18 CA THR A 2 5.186 -10.514 1.610 1.00 0.00 C ATOM 19 C THR A 2 4.023 -9.798 0.934 1.00 0.00 C ATOM 20 O THR A 2 3.343 -10.367 0.077 1.00 0.00 O ATOM 21 CB THR A 2 6.352 -10.655 0.629 1.00 0.00 C ATOM 22 OG1 THR A 2 7.066 -11.855 0.870 1.00 0.00 O ATOM 23 CG2 THR A 2 7.339 -9.512 0.704 1.00 0.00 C ATOM 0 H THR A 2 4.820 -12.568 1.405 1.00 0.00 H new ATOM 0 HA THR A 2 5.509 -9.919 2.464 1.00 0.00 H new ATOM 0 HB THR A 2 5.898 -10.656 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.806 -11.929 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.140 -9.675 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.830 -8.576 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.760 -9.460 1.708 1.00 0.00 H new ATOM 31 N TYR A 3 3.796 -8.548 1.323 1.00 0.00 N ATOM 32 CA TYR A 3 2.713 -7.754 0.754 1.00 0.00 C ATOM 33 C TYR A 3 3.255 -6.492 0.091 1.00 0.00 C ATOM 34 O TYR A 3 4.249 -5.921 0.538 1.00 0.00 O ATOM 35 CB TYR A 3 1.702 -7.382 1.841 1.00 0.00 C ATOM 36 CG TYR A 3 1.067 -8.581 2.508 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.791 -9.374 3.388 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.257 -8.919 2.255 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.215 -10.473 3.997 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.840 -10.016 2.862 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.101 -10.788 3.731 1.00 0.00 C ATOM 42 OH TYR A 3 -0.679 -11.881 4.335 1.00 0.00 O ATOM 0 H TYR A 3 4.348 -8.063 2.030 1.00 0.00 H new ATOM 0 HA TYR A 3 2.214 -8.355 -0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.200 -6.776 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.919 -6.763 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.821 -9.128 3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.839 -8.316 1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.792 -11.082 4.677 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.870 -10.266 2.656 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.055 -12.262 4.987 1.00 0.00 H new ATOM 52 N LYS A 4 2.599 -6.062 -0.983 1.00 0.00 N ATOM 53 CA LYS A 4 3.019 -4.869 -1.708 1.00 0.00 C ATOM 54 C LYS A 4 1.876 -3.873 -1.837 1.00 0.00 C ATOM 55 O LYS A 4 0.707 -4.255 -1.896 1.00 0.00 O ATOM 56 CB LYS A 4 3.545 -5.250 -3.093 1.00 0.00 C ATOM 57 CG LYS A 4 4.704 -6.231 -3.051 1.00 0.00 C ATOM 58 CD LYS A 4 4.561 -7.313 -4.109 1.00 0.00 C ATOM 59 CE LYS A 4 5.520 -8.466 -3.860 1.00 0.00 C ATOM 60 NZ LYS A 4 5.311 -9.085 -2.522 1.00 0.00 N ATOM 0 H LYS A 4 1.775 -6.522 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 4 3.819 -4.394 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.732 -5.685 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.862 -4.347 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.641 -5.695 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.756 -6.691 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.537 -7.685 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.750 -6.887 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.387 -9.222 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.546 -8.107 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.331 -10.121 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.066 -8.778 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.389 -8.789 -2.142 1.00 0.00 H new ATOM 74 N LEU A 5 2.225 -2.592 -1.868 1.00 0.00 N ATOM 75 CA LEU A 5 1.234 -1.533 -1.978 1.00 0.00 C ATOM 76 C LEU A 5 1.566 -0.584 -3.127 1.00 0.00 C ATOM 77 O LEU A 5 2.698 -0.115 -3.252 1.00 0.00 O ATOM 78 CB LEU A 5 1.151 -0.766 -0.653 1.00 0.00 C ATOM 79 CG LEU A 5 0.664 0.685 -0.757 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.619 0.762 -1.574 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.453 1.279 0.629 1.00 0.00 C ATOM 0 H LEU A 5 3.189 -2.263 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 5 0.265 -1.985 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.484 -1.307 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.138 -0.767 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 5 1.430 1.269 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.949 1.799 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.435 0.379 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.393 0.164 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.108 2.309 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.293 0.694 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.393 1.261 1.180 1.00 0.00 H new ATOM 93 N ILE A 6 0.569 -0.300 -3.960 1.00 0.00 N ATOM 94 CA ILE A 6 0.747 0.598 -5.095 1.00 0.00 C ATOM 95 C ILE A 6 -0.036 1.893 -4.887 1.00 0.00 C ATOM 96 O ILE A 6 -1.266 1.907 -4.964 1.00 0.00 O ATOM 97 CB ILE A 6 0.308 -0.070 -6.418 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.221 -1.254 -6.742 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.323 0.935 -7.563 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.955 -2.477 -5.892 1.00 0.00 C ATOM 0 H ILE A 6 -0.373 -0.680 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 6 1.810 0.830 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.712 -0.434 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.099 -1.519 -7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.259 -0.948 -6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.011 0.442 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.362 1.753 -7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.331 1.330 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.640 -3.275 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.105 -2.229 -4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.072 -2.809 -6.043 1.00 0.00 H new ATOM 112 N LEU A 7 0.684 2.978 -4.616 1.00 0.00 N ATOM 113 CA LEU A 7 0.058 4.275 -4.389 1.00 0.00 C ATOM 114 C LEU A 7 0.090 5.129 -5.652 1.00 0.00 C ATOM 115 O LEU A 7 1.156 5.388 -6.213 1.00 0.00 O ATOM 116 CB LEU A 7 0.763 5.011 -3.247 1.00 0.00 C ATOM 117 CG LEU A 7 1.083 4.152 -2.022 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.420 4.558 -1.420 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.025 4.267 -0.988 1.00 0.00 C ATOM 0 H LEU A 7 1.702 2.984 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.983 4.102 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.692 5.435 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.137 5.846 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 7 1.151 3.111 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.631 3.936 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.208 4.425 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.380 5.604 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.219 3.650 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.124 5.306 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.965 3.927 -1.423 1.00 0.00 H new ATOM 131 N ASN A 8 -1.084 5.570 -6.091 1.00 0.00 N ATOM 132 CA ASN A 8 -1.193 6.403 -7.285 1.00 0.00 C ATOM 133 C ASN A 8 -1.980 7.676 -6.986 1.00 0.00 C ATOM 134 O ASN A 8 -3.205 7.646 -6.872 1.00 0.00 O ATOM 135 CB ASN A 8 -1.864 5.626 -8.420 1.00 0.00 C ATOM 136 CG ASN A 8 -1.270 5.951 -9.777 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.992 7.220 -10.011 1.00 0.00 O flip ATOM 138 ND2 ASN A 8 -1.062 5.064 -10.603 1.00 0.00 N flip ATOM 0 H ASN A 8 -1.975 5.365 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.187 6.682 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.767 4.557 -8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.930 5.852 -8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.292 4.096 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.659 5.297 -11.511 1.00 0.00 H new ATOM 145 N LEU A 9 -1.270 8.788 -6.861 1.00 0.00 N ATOM 146 CA LEU A 9 -1.908 10.070 -6.576 1.00 0.00 C ATOM 147 C LEU A 9 -2.169 10.845 -7.862 1.00 0.00 C ATOM 148 O LEU A 9 -1.853 10.378 -8.955 1.00 0.00 O ATOM 149 CB LEU A 9 -1.047 10.901 -5.621 1.00 0.00 C ATOM 150 CG LEU A 9 0.394 11.143 -6.082 1.00 0.00 C ATOM 151 CD1 LEU A 9 0.770 12.606 -5.909 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.357 10.241 -5.312 1.00 0.00 C ATOM 0 H LEU A 9 -0.255 8.831 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.866 9.870 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.530 11.867 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.022 10.402 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 9 0.466 10.896 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.797 12.760 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.099 13.227 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.684 12.882 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.377 10.424 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.284 10.457 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.098 9.197 -5.489 1.00 0.00 H new ATOM 164 N LYS A 10 -2.760 12.027 -7.718 1.00 0.00 N ATOM 165 CA LYS A 10 -3.084 12.882 -8.865 1.00 0.00 C ATOM 166 C LYS A 10 -1.938 12.948 -9.878 1.00 0.00 C ATOM 167 O LYS A 10 -2.158 12.797 -11.081 1.00 0.00 O ATOM 168 CB LYS A 10 -3.433 14.294 -8.391 1.00 0.00 C ATOM 169 CG LYS A 10 -2.546 14.802 -7.264 1.00 0.00 C ATOM 170 CD LYS A 10 -3.347 15.081 -6.002 1.00 0.00 C ATOM 171 CE LYS A 10 -2.911 16.376 -5.335 1.00 0.00 C ATOM 172 NZ LYS A 10 -2.690 16.201 -3.872 1.00 0.00 N ATOM 0 H LYS A 10 -3.027 12.420 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.945 12.437 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.359 14.979 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.471 14.309 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.772 14.065 -7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.039 15.713 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.407 15.138 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.226 14.253 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.992 16.733 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.669 17.142 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.394 17.107 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.573 15.885 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.948 15.489 -3.716 1.00 0.00 H new ATOM 186 N GLN A 11 -0.721 13.172 -9.394 1.00 0.00 N ATOM 187 CA GLN A 11 0.437 13.258 -10.280 1.00 0.00 C ATOM 188 C GLN A 11 1.687 12.668 -9.632 1.00 0.00 C ATOM 189 O GLN A 11 2.648 13.381 -9.345 1.00 0.00 O ATOM 190 CB GLN A 11 0.692 14.710 -10.677 1.00 0.00 C ATOM 191 CG GLN A 11 1.822 14.874 -11.696 1.00 0.00 C ATOM 192 CD GLN A 11 2.102 16.325 -12.009 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.249 16.772 -11.994 1.00 0.00 O ATOM 194 NE2 GLN A 11 1.043 17.069 -12.292 1.00 0.00 N ATOM 0 H GLN A 11 -0.510 13.296 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 11 0.214 12.673 -11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.224 15.132 -11.091 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.933 15.286 -9.783 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.728 14.406 -11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.559 14.350 -12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.112 16.652 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.159 18.059 -12.510 1.00 0.00 H new ATOM 203 N ALA A 12 1.667 11.349 -9.408 1.00 0.00 N ATOM 204 CA ALA A 12 2.799 10.648 -8.801 1.00 0.00 C ATOM 205 C ALA A 12 2.407 9.228 -8.402 1.00 0.00 C ATOM 206 O ALA A 12 1.240 8.953 -8.128 1.00 0.00 O ATOM 207 CB ALA A 12 3.327 11.417 -7.594 1.00 0.00 C ATOM 0 H ALA A 12 0.877 10.747 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 12 3.595 10.587 -9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.168 10.878 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.655 12.408 -7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.536 11.516 -6.851 1.00 0.00 H new ATOM 213 N LYS A 13 3.390 8.340 -8.374 1.00 0.00 N ATOM 214 CA LYS A 13 3.143 6.950 -8.008 1.00 0.00 C ATOM 215 C LYS A 13 4.259 6.412 -7.116 1.00 0.00 C ATOM 216 O LYS A 13 5.435 6.454 -7.481 1.00 0.00 O ATOM 217 CB LYS A 13 3.013 6.085 -9.264 1.00 0.00 C ATOM 218 CG LYS A 13 4.303 5.957 -10.056 1.00 0.00 C ATOM 219 CD LYS A 13 4.077 6.226 -11.535 1.00 0.00 C ATOM 220 CE LYS A 13 3.359 5.076 -12.213 1.00 0.00 C ATOM 221 NZ LYS A 13 1.879 5.202 -12.109 1.00 0.00 N ATOM 0 H LYS A 13 4.362 8.554 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 13 2.208 6.909 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.675 5.090 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.243 6.509 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.042 6.658 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.714 4.956 -9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.494 7.139 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.036 6.395 -12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.646 5.038 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.675 4.135 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.429 4.645 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.565 4.847 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.608 6.201 -12.207 1.00 0.00 H new ATOM 235 N GLU A 14 3.880 5.905 -5.948 1.00 0.00 N ATOM 236 CA GLU A 14 4.843 5.353 -5.001 1.00 0.00 C ATOM 237 C GLU A 14 4.488 3.912 -4.652 1.00 0.00 C ATOM 238 O GLU A 14 3.326 3.592 -4.405 1.00 0.00 O ATOM 239 CB GLU A 14 4.892 6.206 -3.732 1.00 0.00 C ATOM 240 CG GLU A 14 6.196 6.969 -3.562 1.00 0.00 C ATOM 241 CD GLU A 14 6.877 6.675 -2.239 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.675 5.566 -1.700 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.613 7.554 -1.742 1.00 0.00 O ATOM 0 H GLU A 14 2.911 5.865 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 14 5.827 5.364 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.065 6.916 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.742 5.562 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.871 6.713 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.999 8.039 -3.635 1.00 0.00 H new ATOM 250 N GLU A 15 5.494 3.042 -4.636 1.00 0.00 N ATOM 251 CA GLU A 15 5.278 1.634 -4.319 1.00 0.00 C ATOM 252 C GLU A 15 5.913 1.264 -2.983 1.00 0.00 C ATOM 253 O GLU A 15 7.132 1.327 -2.825 1.00 0.00 O ATOM 254 CB GLU A 15 5.850 0.743 -5.423 1.00 0.00 C ATOM 255 CG GLU A 15 5.053 0.788 -6.716 1.00 0.00 C ATOM 256 CD GLU A 15 5.603 -0.151 -7.772 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.842 -0.260 -7.883 1.00 0.00 O ATOM 258 OE2 GLU A 15 4.794 -0.778 -8.489 1.00 0.00 O ATOM 0 H GLU A 15 6.463 3.286 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 15 4.202 1.474 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.876 1.047 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.888 -0.286 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.015 0.527 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.054 1.807 -7.104 1.00 0.00 H new ATOM 265 N ALA A 16 5.078 0.863 -2.033 1.00 0.00 N ATOM 266 CA ALA A 16 5.555 0.463 -0.717 1.00 0.00 C ATOM 267 C ALA A 16 5.400 -1.041 -0.536 1.00 0.00 C ATOM 268 O ALA A 16 4.336 -1.599 -0.798 1.00 0.00 O ATOM 269 CB ALA A 16 4.806 1.209 0.375 1.00 0.00 C ATOM 0 H ALA A 16 4.066 0.806 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 16 6.612 0.718 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.178 0.895 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.961 2.281 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.741 0.986 0.304 1.00 0.00 H new ATOM 275 N ILE A 17 6.466 -1.695 -0.097 1.00 0.00 N ATOM 276 CA ILE A 17 6.437 -3.137 0.101 1.00 0.00 C ATOM 277 C ILE A 17 7.162 -3.541 1.377 1.00 0.00 C ATOM 278 O ILE A 17 8.067 -2.847 1.840 1.00 0.00 O ATOM 279 CB ILE A 17 7.053 -3.881 -1.104 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.562 -3.623 -1.188 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.366 -3.454 -2.395 1.00 0.00 C ATOM 282 CD1 ILE A 17 8.919 -2.184 -1.493 1.00 0.00 C ATOM 0 H ILE A 17 7.357 -1.253 0.128 1.00 0.00 H new ATOM 0 HA ILE A 17 5.389 -3.422 0.192 1.00 0.00 H new ATOM 0 HB ILE A 17 6.898 -4.951 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.023 -3.910 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.989 -4.265 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.810 -3.986 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.303 -3.689 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.493 -2.381 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.003 -2.079 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.488 -1.898 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.523 -1.537 -0.710 1.00 0.00 H new ATOM 294 N LYS A 18 6.743 -4.665 1.947 1.00 0.00 N ATOM 295 CA LYS A 18 7.336 -5.163 3.179 1.00 0.00 C ATOM 296 C LYS A 18 6.867 -6.590 3.462 1.00 0.00 C ATOM 297 O LYS A 18 5.780 -6.990 3.044 1.00 0.00 O ATOM 298 CB LYS A 18 6.961 -4.230 4.335 1.00 0.00 C ATOM 299 CG LYS A 18 7.183 -4.823 5.718 1.00 0.00 C ATOM 300 CD LYS A 18 8.661 -5.008 6.014 1.00 0.00 C ATOM 301 CE LYS A 18 9.252 -3.772 6.673 1.00 0.00 C ATOM 302 NZ LYS A 18 9.173 -3.844 8.158 1.00 0.00 N ATOM 0 H LYS A 18 5.994 -5.248 1.574 1.00 0.00 H new ATOM 0 HA LYS A 18 8.421 -5.183 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.543 -3.312 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.912 -3.952 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.739 -4.171 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.674 -5.784 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.798 -5.871 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.196 -5.220 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.293 -3.661 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.722 -2.886 6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.586 -2.983 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.178 -3.924 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.700 -4.675 8.494 1.00 0.00 H new ATOM 316 N GLU A 19 7.692 -7.350 4.173 1.00 0.00 N ATOM 317 CA GLU A 19 7.362 -8.730 4.513 1.00 0.00 C ATOM 318 C GLU A 19 7.135 -8.880 6.014 1.00 0.00 C ATOM 319 O GLU A 19 7.878 -8.322 6.822 1.00 0.00 O ATOM 320 CB GLU A 19 8.478 -9.671 4.056 1.00 0.00 C ATOM 321 CG GLU A 19 7.989 -11.061 3.685 1.00 0.00 C ATOM 322 CD GLU A 19 7.964 -12.007 4.869 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.761 -11.803 5.809 1.00 0.00 O ATOM 324 OE2 GLU A 19 7.145 -12.951 4.858 1.00 0.00 O ATOM 0 H GLU A 19 8.595 -7.034 4.526 1.00 0.00 H new ATOM 0 HA GLU A 19 6.440 -8.995 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.983 -9.231 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.218 -9.756 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.987 -10.988 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.634 -11.474 2.909 1.00 0.00 H new ATOM 331 N ALA A 20 6.104 -9.634 6.383 1.00 0.00 N ATOM 332 CA ALA A 20 5.783 -9.852 7.789 1.00 0.00 C ATOM 333 C ALA A 20 5.364 -11.295 8.045 1.00 0.00 C ATOM 334 O ALA A 20 5.280 -12.103 7.120 1.00 0.00 O ATOM 335 CB ALA A 20 4.688 -8.897 8.232 1.00 0.00 C ATOM 0 H ALA A 20 5.478 -10.103 5.729 1.00 0.00 H new ATOM 0 HA ALA A 20 6.682 -9.657 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.458 -9.070 9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.026 -7.869 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.794 -9.066 7.632 1.00 0.00 H new ATOM 341 N VAL A 21 5.108 -11.612 9.311 1.00 0.00 N ATOM 342 CA VAL A 21 4.703 -12.958 9.698 1.00 0.00 C ATOM 343 C VAL A 21 3.356 -13.343 9.090 1.00 0.00 C ATOM 344 O VAL A 21 3.206 -14.434 8.542 1.00 0.00 O ATOM 345 CB VAL A 21 4.621 -13.101 11.230 1.00 0.00 C ATOM 346 CG1 VAL A 21 5.996 -12.930 11.856 1.00 0.00 C ATOM 347 CG2 VAL A 21 3.635 -12.099 11.811 1.00 0.00 C ATOM 0 H VAL A 21 5.174 -10.953 10.087 1.00 0.00 H new ATOM 0 HA VAL A 21 5.469 -13.632 9.313 1.00 0.00 H new ATOM 0 HB VAL A 21 4.262 -14.104 11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.919 -13.034 12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.671 -13.692 11.465 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.386 -11.941 11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.592 -12.217 12.894 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.959 -11.087 11.569 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.646 -12.274 11.388 1.00 0.00 H new ATOM 357 N ASP A 22 2.375 -12.448 9.189 1.00 0.00 N ATOM 358 CA ASP A 22 1.045 -12.717 8.645 1.00 0.00 C ATOM 359 C ASP A 22 0.642 -11.663 7.615 1.00 0.00 C ATOM 360 O ASP A 22 0.657 -11.928 6.413 1.00 0.00 O ATOM 361 CB ASP A 22 0.004 -12.781 9.769 1.00 0.00 C ATOM 362 CG ASP A 22 0.505 -13.540 10.984 1.00 0.00 C ATOM 363 OD1 ASP A 22 1.451 -14.343 10.833 1.00 0.00 O ATOM 364 OD2 ASP A 22 -0.047 -13.331 12.084 1.00 0.00 O ATOM 0 H ASP A 22 2.474 -11.537 9.637 1.00 0.00 H new ATOM 0 HA ASP A 22 1.083 -13.684 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.269 -11.768 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.901 -13.259 9.394 1.00 0.00 H new ATOM 369 N ALA A 23 0.280 -10.472 8.087 1.00 0.00 N ATOM 370 CA ALA A 23 -0.127 -9.392 7.192 1.00 0.00 C ATOM 371 C ALA A 23 -0.458 -8.118 7.962 1.00 0.00 C ATOM 372 O ALA A 23 -0.227 -7.013 7.470 1.00 0.00 O ATOM 373 CB ALA A 23 -1.322 -9.817 6.354 1.00 0.00 C ATOM 0 H ALA A 23 0.260 -10.231 9.078 1.00 0.00 H new ATOM 0 HA ALA A 23 0.715 -9.179 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.612 -9.000 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.056 -10.690 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.156 -10.066 7.010 1.00 0.00 H new ATOM 379 N GLY A 24 -1.005 -8.271 9.166 1.00 0.00 N ATOM 380 CA GLY A 24 -1.360 -7.116 9.975 1.00 0.00 C ATOM 381 C GLY A 24 -0.258 -6.073 10.012 1.00 0.00 C ATOM 382 O GLY A 24 -0.526 -4.878 10.144 1.00 0.00 O ATOM 0 H GLY A 24 -1.209 -9.173 9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.270 -6.665 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.582 -7.442 10.991 1.00 0.00 H new ATOM 386 N THR A 25 0.984 -6.531 9.885 1.00 0.00 N ATOM 387 CA THR A 25 2.134 -5.638 9.897 1.00 0.00 C ATOM 388 C THR A 25 2.207 -4.834 8.605 1.00 0.00 C ATOM 389 O THR A 25 2.653 -3.689 8.601 1.00 0.00 O ATOM 390 CB THR A 25 3.424 -6.437 10.089 1.00 0.00 C ATOM 391 OG1 THR A 25 3.182 -7.605 10.853 1.00 0.00 O ATOM 392 CG2 THR A 25 4.516 -5.652 10.784 1.00 0.00 C ATOM 0 H THR A 25 1.218 -7.517 9.773 1.00 0.00 H new ATOM 0 HA THR A 25 2.018 -4.945 10.730 1.00 0.00 H new ATOM 0 HB THR A 25 3.762 -6.686 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.026 -7.928 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.403 -6.277 10.889 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.762 -4.769 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.171 -5.344 11.771 1.00 0.00 H new ATOM 400 N ALA A 26 1.761 -5.441 7.508 1.00 0.00 N ATOM 401 CA ALA A 26 1.770 -4.777 6.212 1.00 0.00 C ATOM 402 C ALA A 26 0.666 -3.732 6.135 1.00 0.00 C ATOM 403 O ALA A 26 0.844 -2.663 5.552 1.00 0.00 O ATOM 404 CB ALA A 26 1.618 -5.796 5.093 1.00 0.00 C ATOM 0 H ALA A 26 1.390 -6.391 7.493 1.00 0.00 H new ATOM 0 HA ALA A 26 2.728 -4.271 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.627 -5.284 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.444 -6.506 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.675 -6.329 5.212 1.00 0.00 H new ATOM 410 N GLU A 27 -0.475 -4.049 6.736 1.00 0.00 N ATOM 411 CA GLU A 27 -1.614 -3.139 6.748 1.00 0.00 C ATOM 412 C GLU A 27 -1.275 -1.873 7.530 1.00 0.00 C ATOM 413 O GLU A 27 -1.044 -0.814 6.950 1.00 0.00 O ATOM 414 CB GLU A 27 -2.838 -3.839 7.358 1.00 0.00 C ATOM 415 CG GLU A 27 -3.836 -2.894 8.013 1.00 0.00 C ATOM 416 CD GLU A 27 -5.213 -3.512 8.163 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.623 -4.273 7.262 1.00 0.00 O ATOM 418 OE2 GLU A 27 -5.879 -3.233 9.181 1.00 0.00 O ATOM 0 H GLU A 27 -0.636 -4.931 7.222 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.849 -2.854 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.347 -4.402 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.497 -4.561 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.464 -2.602 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.913 -1.984 7.418 1.00 0.00 H new ATOM 425 N LYS A 28 -1.254 -1.994 8.855 1.00 0.00 N ATOM 426 CA LYS A 28 -0.951 -0.858 9.727 1.00 0.00 C ATOM 427 C LYS A 28 0.290 -0.102 9.251 1.00 0.00 C ATOM 428 O LYS A 28 0.400 1.110 9.445 1.00 0.00 O ATOM 429 CB LYS A 28 -0.766 -1.328 11.176 1.00 0.00 C ATOM 430 CG LYS A 28 0.531 -2.087 11.429 1.00 0.00 C ATOM 431 CD LYS A 28 1.314 -1.485 12.584 1.00 0.00 C ATOM 432 CE LYS A 28 0.631 -1.747 13.916 1.00 0.00 C ATOM 433 NZ LYS A 28 1.168 -2.963 14.587 1.00 0.00 N ATOM 0 H LYS A 28 -1.443 -2.866 9.350 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.797 -0.172 9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.799 -0.460 11.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.606 -1.967 11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.306 -3.131 11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.143 -2.074 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.320 -1.905 12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.419 -0.411 12.433 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.765 -0.884 14.568 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.441 -1.864 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.676 -3.106 15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.018 -3.791 13.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.186 -2.842 14.762 1.00 0.00 H new ATOM 447 N TYR A 29 1.217 -0.815 8.617 1.00 0.00 N ATOM 448 CA TYR A 29 2.436 -0.193 8.109 1.00 0.00 C ATOM 449 C TYR A 29 2.143 0.548 6.809 1.00 0.00 C ATOM 450 O TYR A 29 2.535 1.702 6.635 1.00 0.00 O ATOM 451 CB TYR A 29 3.532 -1.240 7.887 1.00 0.00 C ATOM 452 CG TYR A 29 4.801 -0.677 7.288 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.876 -0.366 5.936 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.925 -0.455 8.076 1.00 0.00 C ATOM 455 CE1 TYR A 29 6.034 0.148 5.386 1.00 0.00 C ATOM 456 CE2 TYR A 29 7.086 0.059 7.532 1.00 0.00 C ATOM 457 CZ TYR A 29 7.135 0.359 6.187 1.00 0.00 C ATOM 458 OH TYR A 29 8.291 0.871 5.642 1.00 0.00 O ATOM 0 H TYR A 29 1.148 -1.818 8.444 1.00 0.00 H new ATOM 0 HA TYR A 29 2.793 0.520 8.852 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.769 -1.712 8.841 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.148 -2.022 7.232 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.015 -0.529 5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.890 -0.688 9.130 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.076 0.383 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.951 0.225 8.157 1.00 0.00 H new ATOM 0 HH TYR A 29 8.971 0.960 6.342 1.00 0.00 H new ATOM 468 N PHE A 30 1.427 -0.118 5.907 1.00 0.00 N ATOM 469 CA PHE A 30 1.061 0.485 4.635 1.00 0.00 C ATOM 470 C PHE A 30 0.176 1.698 4.886 1.00 0.00 C ATOM 471 O PHE A 30 0.326 2.739 4.248 1.00 0.00 O ATOM 472 CB PHE A 30 0.333 -0.530 3.741 1.00 0.00 C ATOM 473 CG PHE A 30 1.246 -1.444 2.956 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.626 -1.290 2.986 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.709 -2.463 2.183 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.448 -2.134 2.261 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.529 -3.309 1.456 1.00 0.00 C ATOM 478 CZ PHE A 30 2.899 -3.143 1.497 1.00 0.00 C ATOM 0 H PHE A 30 1.091 -1.072 6.035 1.00 0.00 H new ATOM 0 HA PHE A 30 1.968 0.799 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.322 -1.139 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.305 0.012 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.062 -0.502 3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.362 -2.598 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.520 -2.003 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.098 -4.098 0.858 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.540 -3.803 0.931 1.00 0.00 H new ATOM 488 N LYS A 31 -0.739 1.557 5.839 1.00 0.00 N ATOM 489 CA LYS A 31 -1.638 2.644 6.197 1.00 0.00 C ATOM 490 C LYS A 31 -0.854 3.862 6.690 1.00 0.00 C ATOM 491 O LYS A 31 -1.229 5.001 6.414 1.00 0.00 O ATOM 492 CB LYS A 31 -2.624 2.184 7.274 1.00 0.00 C ATOM 493 CG LYS A 31 -3.992 2.836 7.164 1.00 0.00 C ATOM 494 CD LYS A 31 -4.531 3.239 8.528 1.00 0.00 C ATOM 495 CE LYS A 31 -6.044 3.107 8.590 1.00 0.00 C ATOM 496 NZ LYS A 31 -6.603 3.716 9.829 1.00 0.00 N ATOM 0 H LYS A 31 -0.876 0.701 6.376 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.194 2.932 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.740 1.102 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.205 2.402 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.926 3.716 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.687 2.146 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.078 2.615 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.245 4.269 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.487 3.587 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.319 2.053 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.637 3.606 9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.200 3.241 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.363 4.727 9.858 1.00 0.00 H new ATOM 510 N LEU A 32 0.234 3.617 7.422 1.00 0.00 N ATOM 511 CA LEU A 32 1.060 4.695 7.947 1.00 0.00 C ATOM 512 C LEU A 32 1.712 5.493 6.820 1.00 0.00 C ATOM 513 O LEU A 32 1.803 6.720 6.893 1.00 0.00 O ATOM 514 CB LEU A 32 2.131 4.129 8.885 1.00 0.00 C ATOM 515 CG LEU A 32 1.627 3.611 10.242 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.322 4.344 11.374 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.114 3.754 10.374 1.00 0.00 C ATOM 0 H LEU A 32 0.560 2.681 7.662 1.00 0.00 H new ATOM 0 HA LEU A 32 0.416 5.372 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.641 3.313 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.874 4.905 9.067 1.00 0.00 H new ATOM 0 HG LEU A 32 1.866 2.549 10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.956 3.968 12.330 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.398 4.180 11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.112 5.411 11.300 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.204 3.377 11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.161 4.805 10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.376 3.182 9.586 1.00 0.00 H new ATOM 529 N ILE A 33 2.157 4.799 5.774 1.00 0.00 N ATOM 530 CA ILE A 33 2.788 5.466 4.642 1.00 0.00 C ATOM 531 C ILE A 33 1.738 6.135 3.762 1.00 0.00 C ATOM 532 O ILE A 33 1.975 7.202 3.194 1.00 0.00 O ATOM 533 CB ILE A 33 3.629 4.487 3.795 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.364 5.240 2.680 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.757 3.386 3.214 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.847 5.395 2.933 1.00 0.00 C ATOM 0 H ILE A 33 2.092 3.785 5.689 1.00 0.00 H new ATOM 0 HA ILE A 33 3.458 6.224 5.048 1.00 0.00 H new ATOM 0 HB ILE A 33 4.370 4.022 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.217 4.712 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.918 6.228 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.372 2.709 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.284 2.831 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.989 3.827 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.303 5.937 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.002 5.950 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.306 4.410 3.019 1.00 0.00 H new ATOM 548 N ALA A 34 0.570 5.508 3.664 1.00 0.00 N ATOM 549 CA ALA A 34 -0.520 6.050 2.866 1.00 0.00 C ATOM 550 C ALA A 34 -0.975 7.388 3.430 1.00 0.00 C ATOM 551 O ALA A 34 -0.926 8.412 2.749 1.00 0.00 O ATOM 552 CB ALA A 34 -1.681 5.067 2.818 1.00 0.00 C ATOM 0 H ALA A 34 0.356 4.625 4.127 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.161 6.209 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.488 5.486 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.346 4.130 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.041 4.879 3.830 1.00 0.00 H new ATOM 558 N ASN A 35 -1.412 7.373 4.687 1.00 0.00 N ATOM 559 CA ASN A 35 -1.871 8.588 5.353 1.00 0.00 C ATOM 560 C ASN A 35 -0.791 9.668 5.318 1.00 0.00 C ATOM 561 O ASN A 35 -1.093 10.857 5.229 1.00 0.00 O ATOM 562 CB ASN A 35 -2.262 8.283 6.802 1.00 0.00 C ATOM 563 CG ASN A 35 -3.766 8.176 6.988 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.302 8.585 8.019 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.456 7.624 5.994 1.00 0.00 N ATOM 0 H ASN A 35 -1.458 6.533 5.264 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.746 8.959 4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.793 7.349 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.873 9.067 7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.469 7.526 6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.973 7.298 5.157 1.00 0.00 H new ATOM 572 N ALA A 36 0.469 9.248 5.386 1.00 0.00 N ATOM 573 CA ALA A 36 1.586 10.184 5.358 1.00 0.00 C ATOM 574 C ALA A 36 2.092 10.407 3.933 1.00 0.00 C ATOM 575 O ALA A 36 3.105 11.073 3.725 1.00 0.00 O ATOM 576 CB ALA A 36 2.714 9.683 6.247 1.00 0.00 C ATOM 0 H ALA A 36 0.741 8.268 5.461 1.00 0.00 H new ATOM 0 HA ALA A 36 1.231 11.141 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.542 10.391 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.355 9.587 7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.054 8.711 5.890 1.00 0.00 H new ATOM 582 N LYS A 37 1.387 9.842 2.953 1.00 0.00 N ATOM 583 CA LYS A 37 1.779 9.983 1.555 1.00 0.00 C ATOM 584 C LYS A 37 0.924 11.027 0.847 1.00 0.00 C ATOM 585 O LYS A 37 1.424 11.776 0.005 1.00 0.00 O ATOM 586 CB LYS A 37 1.664 8.638 0.834 1.00 0.00 C ATOM 587 CG LYS A 37 2.984 7.888 0.732 1.00 0.00 C ATOM 588 CD LYS A 37 3.518 7.886 -0.693 1.00 0.00 C ATOM 589 CE LYS A 37 3.987 9.271 -1.116 1.00 0.00 C ATOM 590 NZ LYS A 37 4.940 9.861 -0.135 1.00 0.00 N ATOM 0 H LYS A 37 0.546 9.285 3.102 1.00 0.00 H new ATOM 0 HA LYS A 37 2.817 10.316 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.941 8.014 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.272 8.805 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.717 8.348 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.847 6.861 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.346 7.181 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.740 7.541 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.465 9.209 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.124 9.929 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.744 10.283 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.456 10.596 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.286 9.117 0.503 1.00 0.00 H new ATOM 604 N THR A 38 -0.363 11.083 1.181 1.00 0.00 N ATOM 605 CA THR A 38 -1.270 12.043 0.564 1.00 0.00 C ATOM 606 C THR A 38 -2.666 11.964 1.185 1.00 0.00 C ATOM 607 O THR A 38 -3.322 12.989 1.376 1.00 0.00 O ATOM 608 CB THR A 38 -1.358 11.795 -0.943 1.00 0.00 C ATOM 609 OG1 THR A 38 -0.999 10.455 -1.252 1.00 0.00 O ATOM 610 CG2 THR A 38 -0.464 12.712 -1.752 1.00 0.00 C ATOM 0 H THR A 38 -0.799 10.475 1.874 1.00 0.00 H new ATOM 0 HA THR A 38 -0.872 13.042 0.743 1.00 0.00 H new ATOM 0 HB THR A 38 -2.395 11.997 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.063 10.314 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.574 12.484 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.748 13.749 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.574 12.564 -1.454 1.00 0.00 H new ATOM 618 N VAL A 39 -3.112 10.756 1.487 1.00 0.00 N ATOM 619 CA VAL A 39 -4.432 10.546 2.079 1.00 0.00 C ATOM 620 C VAL A 39 -5.535 10.728 1.040 1.00 0.00 C ATOM 621 O VAL A 39 -6.370 11.628 1.157 1.00 0.00 O ATOM 622 CB VAL A 39 -4.693 11.504 3.261 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.944 11.087 4.020 1.00 0.00 C ATOM 624 CG2 VAL A 39 -3.493 11.555 4.193 1.00 0.00 C ATOM 0 H VAL A 39 -2.580 9.899 1.333 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.445 9.521 2.450 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.851 12.505 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.112 11.774 4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.802 11.112 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.815 10.076 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.701 12.237 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.296 10.558 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.620 11.907 3.643 1.00 0.00 H new ATOM 634 N GLU A 40 -5.536 9.870 0.025 1.00 0.00 N ATOM 635 CA GLU A 40 -6.540 9.938 -1.032 1.00 0.00 C ATOM 636 C GLU A 40 -6.316 8.842 -2.071 1.00 0.00 C ATOM 637 O GLU A 40 -5.276 8.800 -2.727 1.00 0.00 O ATOM 638 CB GLU A 40 -6.512 11.311 -1.708 1.00 0.00 C ATOM 639 CG GLU A 40 -7.715 12.172 -1.366 1.00 0.00 C ATOM 640 CD GLU A 40 -8.914 11.882 -2.248 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.374 10.723 -2.252 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.390 12.807 -2.931 1.00 0.00 O ATOM 0 H GLU A 40 -4.854 9.120 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.518 9.786 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.603 11.835 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.466 11.176 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.988 12.009 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.443 13.223 -1.464 1.00 0.00 H new ATOM 649 N GLY A 41 -7.300 7.959 -2.216 1.00 0.00 N ATOM 650 CA GLY A 41 -7.186 6.877 -3.177 1.00 0.00 C ATOM 651 C GLY A 41 -8.207 5.780 -2.944 1.00 0.00 C ATOM 652 O GLY A 41 -8.961 5.820 -1.973 1.00 0.00 O ATOM 0 H GLY A 41 -8.172 7.973 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.310 7.276 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.183 6.453 -3.123 1.00 0.00 H new ATOM 656 N VAL A 42 -8.222 4.794 -3.836 1.00 0.00 N ATOM 657 CA VAL A 42 -9.147 3.675 -3.723 1.00 0.00 C ATOM 658 C VAL A 42 -8.411 2.416 -3.293 1.00 0.00 C ATOM 659 O VAL A 42 -7.609 1.859 -4.043 1.00 0.00 O ATOM 660 CB VAL A 42 -9.891 3.406 -5.048 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.783 4.584 -5.405 1.00 0.00 C ATOM 662 CG2 VAL A 42 -8.911 3.112 -6.174 1.00 0.00 C ATOM 0 H VAL A 42 -7.603 4.749 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.884 3.946 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.519 2.526 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.300 4.378 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.515 4.739 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.174 5.481 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.462 2.926 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.249 3.967 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.319 2.232 -5.921 1.00 0.00 H new ATOM 672 N TRP A 43 -8.691 1.988 -2.071 1.00 0.00 N ATOM 673 CA TRP A 43 -8.081 0.818 -1.489 1.00 0.00 C ATOM 674 C TRP A 43 -8.515 -0.452 -2.220 1.00 0.00 C ATOM 675 O TRP A 43 -9.681 -0.840 -2.172 1.00 0.00 O ATOM 676 CB TRP A 43 -8.504 0.753 -0.026 1.00 0.00 C ATOM 677 CG TRP A 43 -7.577 1.486 0.906 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.489 2.843 1.047 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.618 0.927 1.829 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.547 3.165 1.986 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.998 2.013 2.482 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.219 -0.377 2.172 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -5.013 1.849 3.448 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.221 -0.536 3.151 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.640 0.575 3.768 1.00 0.00 C ATOM 0 H TRP A 43 -9.357 2.454 -1.454 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.997 0.887 -1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.507 1.169 0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.561 -0.292 0.280 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.079 3.560 0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.294 4.111 2.271 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.668 -1.236 1.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.557 2.701 3.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.900 -1.529 3.429 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.877 0.422 4.517 1.00 0.00 H new ATOM 696 N THR A 44 -7.566 -1.097 -2.887 1.00 0.00 N ATOM 697 CA THR A 44 -7.845 -2.325 -3.622 1.00 0.00 C ATOM 698 C THR A 44 -6.778 -3.372 -3.327 1.00 0.00 C ATOM 699 O THR A 44 -5.714 -3.050 -2.803 1.00 0.00 O ATOM 700 CB THR A 44 -7.904 -2.047 -5.124 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.974 -1.041 -5.485 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.271 -1.600 -5.597 1.00 0.00 C ATOM 0 H THR A 44 -6.595 -0.790 -2.934 1.00 0.00 H new ATOM 0 HA THR A 44 -8.813 -2.707 -3.299 1.00 0.00 H new ATOM 0 HB THR A 44 -7.664 -2.996 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.026 -0.878 -6.450 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.243 -1.420 -6.672 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.004 -2.377 -5.378 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.552 -0.681 -5.082 1.00 0.00 H new ATOM 710 N TYR A 45 -7.060 -4.625 -3.665 1.00 0.00 N ATOM 711 CA TYR A 45 -6.103 -5.704 -3.430 1.00 0.00 C ATOM 712 C TYR A 45 -6.141 -6.729 -4.562 1.00 0.00 C ATOM 713 O TYR A 45 -7.185 -6.966 -5.168 1.00 0.00 O ATOM 714 CB TYR A 45 -6.355 -6.371 -2.065 1.00 0.00 C ATOM 715 CG TYR A 45 -6.236 -7.881 -2.068 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.301 -8.681 -2.461 1.00 0.00 C ATOM 717 CD2 TYR A 45 -5.058 -8.503 -1.674 1.00 0.00 C ATOM 718 CE1 TYR A 45 -7.196 -10.059 -2.464 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.945 -9.880 -1.674 1.00 0.00 C ATOM 720 CZ TYR A 45 -6.016 -10.654 -2.069 1.00 0.00 C ATOM 721 OH TYR A 45 -5.909 -12.026 -2.068 1.00 0.00 O ATOM 0 H TYR A 45 -7.935 -4.919 -4.099 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.103 -5.270 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.648 -5.966 -1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.353 -6.099 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.227 -8.218 -2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.217 -7.901 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.033 -10.667 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.022 -10.348 -1.366 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.642 -12.412 -2.591 1.00 0.00 H new ATOM 731 N LYS A 46 -4.988 -7.336 -4.829 1.00 0.00 N ATOM 732 CA LYS A 46 -4.877 -8.340 -5.878 1.00 0.00 C ATOM 733 C LYS A 46 -4.530 -9.701 -5.285 1.00 0.00 C ATOM 734 O LYS A 46 -3.613 -9.818 -4.464 1.00 0.00 O ATOM 735 CB LYS A 46 -3.815 -7.931 -6.901 1.00 0.00 C ATOM 736 CG LYS A 46 -3.958 -8.636 -8.235 1.00 0.00 C ATOM 737 CD LYS A 46 -2.626 -9.183 -8.727 1.00 0.00 C ATOM 738 CE LYS A 46 -1.683 -8.062 -9.135 1.00 0.00 C ATOM 739 NZ LYS A 46 -0.570 -8.563 -9.993 1.00 0.00 N ATOM 0 H LYS A 46 -4.117 -7.148 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.841 -8.413 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.871 -6.854 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.827 -8.142 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.674 -9.452 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.361 -7.942 -8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.164 -9.781 -7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.794 -9.846 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.240 -7.295 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.271 -7.590 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.052 -7.771 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.023 -9.277 -9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.962 -8.991 -10.856 1.00 0.00 H new ATOM 753 N ASP A 47 -5.275 -10.723 -5.703 1.00 0.00 N ATOM 754 CA ASP A 47 -5.064 -12.082 -5.219 1.00 0.00 C ATOM 755 C ASP A 47 -4.045 -12.818 -6.078 1.00 0.00 C ATOM 756 O ASP A 47 -4.236 -12.974 -7.288 1.00 0.00 O ATOM 757 CB ASP A 47 -6.385 -12.852 -5.203 1.00 0.00 C ATOM 758 CG ASP A 47 -6.292 -14.144 -4.419 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.843 -15.158 -4.995 1.00 0.00 O ATOM 760 OD2 ASP A 47 -6.666 -14.145 -3.226 1.00 0.00 O ATOM 0 H ASP A 47 -6.033 -10.632 -6.379 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.675 -12.019 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.163 -12.223 -4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.686 -13.073 -6.227 1.00 0.00 H new ATOM 765 N GLU A 48 -2.971 -13.275 -5.440 1.00 0.00 N ATOM 766 CA GLU A 48 -1.886 -14.011 -6.104 1.00 0.00 C ATOM 767 C GLU A 48 -0.585 -13.870 -5.309 1.00 0.00 C ATOM 768 O GLU A 48 0.044 -14.869 -4.961 1.00 0.00 O ATOM 769 CB GLU A 48 -1.672 -13.534 -7.563 1.00 0.00 C ATOM 770 CG GLU A 48 -2.226 -14.482 -8.612 1.00 0.00 C ATOM 771 CD GLU A 48 -1.828 -15.928 -8.375 1.00 0.00 C ATOM 772 OE1 GLU A 48 -0.756 -16.337 -8.860 1.00 0.00 O ATOM 773 OE2 GLU A 48 -2.590 -16.649 -7.697 1.00 0.00 O ATOM 0 H GLU A 48 -2.823 -13.147 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.177 -15.061 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.140 -12.558 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.604 -13.400 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.313 -14.407 -8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.875 -14.171 -9.596 1.00 0.00 H new ATOM 780 N ILE A 49 -0.195 -12.632 -5.012 1.00 0.00 N ATOM 781 CA ILE A 49 1.013 -12.374 -4.242 1.00 0.00 C ATOM 782 C ILE A 49 0.716 -11.409 -3.094 1.00 0.00 C ATOM 783 O ILE A 49 1.627 -10.821 -2.512 1.00 0.00 O ATOM 784 CB ILE A 49 2.132 -11.783 -5.120 1.00 0.00 C ATOM 785 CG1 ILE A 49 2.299 -12.602 -6.397 1.00 0.00 C ATOM 786 CG2 ILE A 49 3.440 -11.726 -4.344 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.047 -11.807 -7.658 1.00 0.00 C ATOM 0 H ILE A 49 -0.701 -11.793 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 49 1.353 -13.330 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 49 1.853 -10.767 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.310 -13.009 -6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.615 -13.450 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.221 -11.306 -4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.313 -11.099 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.724 -12.732 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.183 -12.451 -8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.027 -11.422 -7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.749 -10.974 -7.710 1.00 0.00 H new ATOM 799 N LYS A 50 -0.570 -11.252 -2.778 1.00 0.00 N ATOM 800 CA LYS A 50 -0.996 -10.360 -1.706 1.00 0.00 C ATOM 801 C LYS A 50 -0.497 -8.941 -1.955 1.00 0.00 C ATOM 802 O LYS A 50 0.567 -8.553 -1.470 1.00 0.00 O ATOM 803 CB LYS A 50 -0.486 -10.865 -0.357 1.00 0.00 C ATOM 804 CG LYS A 50 -0.646 -12.367 -0.167 1.00 0.00 C ATOM 805 CD LYS A 50 0.676 -13.032 0.173 1.00 0.00 C ATOM 806 CE LYS A 50 1.395 -13.514 -1.075 1.00 0.00 C ATOM 807 NZ LYS A 50 2.056 -14.832 -0.864 1.00 0.00 N ATOM 0 H LYS A 50 -1.334 -11.733 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.086 -10.347 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.568 -10.605 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.020 -10.348 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.366 -12.559 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.052 -12.808 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.311 -12.328 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.499 -13.875 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.683 -13.593 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.142 -12.777 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.535 -15.124 -1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.755 -14.751 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.341 -15.542 -0.607 1.00 0.00 H new ATOM 821 N THR A 51 -1.266 -8.165 -2.716 1.00 0.00 N ATOM 822 CA THR A 51 -0.875 -6.793 -3.018 1.00 0.00 C ATOM 823 C THR A 51 -2.069 -5.845 -2.982 1.00 0.00 C ATOM 824 O THR A 51 -3.092 -6.092 -3.615 1.00 0.00 O ATOM 825 CB THR A 51 -0.197 -6.723 -4.387 1.00 0.00 C ATOM 826 OG1 THR A 51 -1.075 -7.169 -5.405 1.00 0.00 O ATOM 827 CG2 THR A 51 1.066 -7.554 -4.471 1.00 0.00 C ATOM 0 H THR A 51 -2.151 -8.459 -3.129 1.00 0.00 H new ATOM 0 HA THR A 51 -0.171 -6.476 -2.248 1.00 0.00 H new ATOM 0 HB THR A 51 0.067 -5.675 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.556 -7.419 -6.198 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.497 -7.461 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.784 -7.201 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.827 -8.599 -4.276 1.00 0.00 H new ATOM 835 N PHE A 52 -1.916 -4.751 -2.242 1.00 0.00 N ATOM 836 CA PHE A 52 -2.971 -3.748 -2.128 1.00 0.00 C ATOM 837 C PHE A 52 -2.607 -2.503 -2.930 1.00 0.00 C ATOM 838 O PHE A 52 -1.438 -2.275 -3.231 1.00 0.00 O ATOM 839 CB PHE A 52 -3.207 -3.376 -0.661 1.00 0.00 C ATOM 840 CG PHE A 52 -3.150 -4.549 0.277 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.940 -4.978 0.797 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.308 -5.218 0.641 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.884 -6.056 1.659 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.258 -6.295 1.504 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.045 -6.716 2.014 1.00 0.00 C ATOM 0 H PHE A 52 -1.072 -4.536 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.891 -4.172 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.460 -2.642 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.181 -2.896 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.030 -4.464 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.259 -4.894 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.934 -6.383 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.167 -6.808 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.004 -7.559 2.688 1.00 0.00 H new ATOM 855 N THR A 53 -3.605 -1.703 -3.282 1.00 0.00 N ATOM 856 CA THR A 53 -3.358 -0.491 -4.052 1.00 0.00 C ATOM 857 C THR A 53 -4.335 0.618 -3.672 1.00 0.00 C ATOM 858 O THR A 53 -5.467 0.354 -3.267 1.00 0.00 O ATOM 859 CB THR A 53 -3.453 -0.794 -5.556 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.466 -1.737 -5.943 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.297 0.424 -6.453 1.00 0.00 C ATOM 0 H THR A 53 -4.584 -1.869 -3.049 1.00 0.00 H new ATOM 0 HA THR A 53 -2.352 -0.142 -3.820 1.00 0.00 H new ATOM 0 HB THR A 53 -4.461 -1.185 -5.692 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.544 -1.917 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.377 0.120 -7.497 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.080 1.147 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.322 0.879 -6.282 1.00 0.00 H new ATOM 869 N VAL A 54 -3.890 1.860 -3.823 1.00 0.00 N ATOM 870 CA VAL A 54 -4.722 3.020 -3.519 1.00 0.00 C ATOM 871 C VAL A 54 -4.628 4.047 -4.651 1.00 0.00 C ATOM 872 O VAL A 54 -3.642 4.772 -4.775 1.00 0.00 O ATOM 873 CB VAL A 54 -4.345 3.657 -2.148 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.309 4.771 -2.279 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.594 4.172 -1.450 1.00 0.00 C ATOM 0 H VAL A 54 -2.954 2.091 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.756 2.683 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.887 2.873 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.085 5.177 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.397 4.370 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.704 5.562 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.319 4.615 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.075 4.925 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.284 3.345 -1.282 1.00 0.00 H new ATOM 885 N THR A 55 -5.650 4.076 -5.500 1.00 0.00 N ATOM 886 CA THR A 55 -5.666 4.992 -6.638 1.00 0.00 C ATOM 887 C THR A 55 -6.582 6.187 -6.386 1.00 0.00 C ATOM 888 O THR A 55 -7.741 6.029 -6.009 1.00 0.00 O ATOM 889 CB THR A 55 -6.111 4.256 -7.903 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.542 2.961 -7.955 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.731 4.975 -9.179 1.00 0.00 C ATOM 0 H THR A 55 -6.474 3.480 -5.424 1.00 0.00 H new ATOM 0 HA THR A 55 -4.652 5.367 -6.773 1.00 0.00 H new ATOM 0 HB THR A 55 -7.198 4.208 -7.842 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.840 2.505 -8.770 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.076 4.399 -10.038 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.195 5.961 -9.193 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.647 5.083 -9.227 1.00 0.00 H new ATOM 899 N GLU A 56 -6.050 7.387 -6.607 1.00 0.00 N ATOM 900 CA GLU A 56 -6.816 8.613 -6.412 1.00 0.00 C ATOM 901 C GLU A 56 -7.386 9.107 -7.735 1.00 0.00 C ATOM 902 O GLU A 56 -8.597 8.915 -7.968 1.00 0.00 O ATOM 903 CB GLU A 56 -5.937 9.686 -5.778 1.00 0.00 C ATOM 904 CG GLU A 56 -6.699 10.945 -5.387 1.00 0.00 C ATOM 905 CD GLU A 56 -5.781 12.083 -4.998 1.00 0.00 C ATOM 906 OE1 GLU A 56 -4.671 11.812 -4.498 1.00 0.00 O ATOM 907 OE2 GLU A 56 -6.171 13.260 -5.201 1.00 0.00 O ATOM 908 OXT GLU A 56 -6.616 9.687 -8.526 1.00 0.00 O ATOM 0 H GLU A 56 -5.091 7.535 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.648 8.399 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.456 9.273 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.144 9.953 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.327 11.259 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.364 10.719 -4.554 1.00 0.00 H new