USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 448 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 34 LYS NZ :NH3+ -157:sc= 1.22 (180deg=-0.636) USER MOD Set 1.2: A 37 GLN : amide:sc= -1.64! C(o=-0.42!,f=-15!) USER MOD Single : A 0 SER N :NH3+ 154:sc= 2.24 (180deg=1.52) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.114 (180deg=-0.497) USER MOD Single : A 2 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc=-0.00586 F(o=-1.1,f=-0.0059) USER MOD Single : A 13 MET CE :methyl 152:sc= -0.775 (180deg=-2.28!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 160:sc= -0.0685 USER MOD Single : A 20 SER OG : rot 180:sc= 0.104 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 139:sc= -1.43 (180deg=-2.33) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.49) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.641 K(o=0.64,f=-2.9!) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0.769 (180deg=0.685) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -0.122 -10.947 -1.722 1.00 0.00 N ATOM 2 CA SER A 0 -1.376 -11.005 -0.983 1.00 0.00 C ATOM 3 C SER A 0 -2.472 -10.248 -1.752 1.00 0.00 C ATOM 4 O SER A 0 -3.466 -10.836 -2.201 1.00 0.00 O ATOM 5 CB SER A 0 -1.172 -10.398 0.421 1.00 0.00 C ATOM 6 OG SER A 0 -2.332 -10.500 1.237 1.00 0.00 O ATOM 0 H1 SER A 0 0.675 -11.045 -1.061 1.00 0.00 H new ATOM 0 H2 SER A 0 -0.093 -11.720 -2.417 1.00 0.00 H new ATOM 0 H3 SER A 0 -0.052 -10.034 -2.216 1.00 0.00 H new ATOM 0 HA SER A 0 -1.691 -12.043 -0.874 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.341 -10.903 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 0 -0.894 -9.349 0.322 1.00 0.00 H new ATOM 0 HG SER A 0 -2.151 -10.103 2.115 1.00 0.00 H new ATOM 14 N MET A 1 -2.256 -8.950 -1.937 1.00 0.00 N ATOM 15 CA MET A 1 -3.181 -8.051 -2.598 1.00 0.00 C ATOM 16 C MET A 1 -2.560 -6.689 -2.730 1.00 0.00 C ATOM 17 O MET A 1 -2.156 -6.069 -1.719 1.00 0.00 O ATOM 18 CB MET A 1 -4.545 -7.922 -1.884 1.00 0.00 C ATOM 19 CG MET A 1 -4.501 -7.767 -0.369 1.00 0.00 C ATOM 20 SD MET A 1 -6.156 -7.671 0.360 1.00 0.00 S ATOM 21 CE MET A 1 -6.785 -6.153 -0.368 1.00 0.00 C ATOM 0 H MET A 1 -1.405 -8.485 -1.620 1.00 0.00 H new ATOM 0 HA MET A 1 -3.380 -8.487 -3.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.070 -7.062 -2.301 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.140 -8.804 -2.121 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.964 -8.610 0.065 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.941 -6.867 -0.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.636 -5.797 0.212 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.001 -5.396 -0.364 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.099 -6.345 -1.394 1.00 0.00 H new ATOM 31 N ASN A 2 -2.448 -6.244 -3.950 1.00 0.00 N ATOM 32 CA ASN A 2 -1.912 -4.938 -4.249 1.00 0.00 C ATOM 33 C ASN A 2 -2.903 -3.836 -3.937 1.00 0.00 C ATOM 34 O ASN A 2 -4.125 -4.031 -3.977 1.00 0.00 O ATOM 35 CB ASN A 2 -1.453 -4.802 -5.713 1.00 0.00 C ATOM 36 CG ASN A 2 -0.228 -5.629 -6.058 1.00 0.00 C ATOM 37 OD1 ASN A 2 -0.341 -6.702 -6.645 1.00 0.00 O ATOM 38 ND2 ASN A 2 0.937 -5.155 -5.695 1.00 0.00 N ATOM 0 H ASN A 2 -2.727 -6.778 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.039 -4.831 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.273 -5.096 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.240 -3.753 -5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.787 -5.681 -5.898 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.995 -4.260 -5.209 1.00 0.00 H new ATOM 45 N ARG A 3 -2.362 -2.711 -3.596 1.00 0.00 N ATOM 46 CA ARG A 3 -3.074 -1.491 -3.343 1.00 0.00 C ATOM 47 C ARG A 3 -2.361 -0.406 -4.148 1.00 0.00 C ATOM 48 O ARG A 3 -1.175 -0.574 -4.485 1.00 0.00 O ATOM 49 CB ARG A 3 -3.007 -1.157 -1.846 1.00 0.00 C ATOM 50 CG ARG A 3 -4.108 -0.235 -1.351 1.00 0.00 C ATOM 51 CD ARG A 3 -5.403 -0.997 -1.200 1.00 0.00 C ATOM 52 NE ARG A 3 -6.526 -0.133 -0.835 1.00 0.00 N ATOM 53 CZ ARG A 3 -7.791 -0.309 -1.242 1.00 0.00 C ATOM 54 NH1 ARG A 3 -8.106 -1.280 -2.102 1.00 0.00 N ATOM 55 NH2 ARG A 3 -8.720 0.503 -0.807 1.00 0.00 N ATOM 0 H ARG A 3 -1.354 -2.609 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.123 -1.572 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.048 -2.087 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.043 -0.696 -1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.822 0.203 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.243 0.589 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.631 -1.507 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.280 -1.768 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.332 0.662 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.380 -1.901 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.073 -1.401 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.478 1.259 -0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.687 0.380 -1.109 1.00 0.00 H new ATOM 69 N LEU A 4 -3.045 0.667 -4.468 1.00 0.00 N ATOM 70 CA LEU A 4 -2.442 1.735 -5.248 1.00 0.00 C ATOM 71 C LEU A 4 -2.200 2.954 -4.403 1.00 0.00 C ATOM 72 O LEU A 4 -3.058 3.352 -3.593 1.00 0.00 O ATOM 73 CB LEU A 4 -3.330 2.140 -6.421 1.00 0.00 C ATOM 74 CG LEU A 4 -3.583 1.096 -7.490 1.00 0.00 C ATOM 75 CD1 LEU A 4 -4.461 1.687 -8.575 1.00 0.00 C ATOM 76 CD2 LEU A 4 -2.268 0.594 -8.073 1.00 0.00 C ATOM 0 H LEU A 4 -4.017 0.829 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.494 1.348 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.294 2.456 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.882 3.011 -6.899 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.096 0.244 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.643 0.937 -9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.411 2.002 -8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.961 2.548 -9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.472 -0.155 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.725 1.428 -8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.665 0.149 -7.281 1.00 0.00 H new ATOM 88 N GLY A 5 -1.054 3.540 -4.583 1.00 0.00 N ATOM 89 CA GLY A 5 -0.739 4.760 -3.928 1.00 0.00 C ATOM 90 C GLY A 5 0.337 5.476 -4.656 1.00 0.00 C ATOM 91 O GLY A 5 1.115 4.858 -5.383 1.00 0.00 O ATOM 0 H GLY A 5 -0.316 3.181 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.628 5.389 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.423 4.559 -2.904 1.00 0.00 H new ATOM 95 N ILE A 6 0.383 6.751 -4.477 1.00 0.00 N ATOM 96 CA ILE A 6 1.361 7.583 -5.110 1.00 0.00 C ATOM 97 C ILE A 6 2.445 7.852 -4.121 1.00 0.00 C ATOM 98 O ILE A 6 2.155 8.242 -2.988 1.00 0.00 O ATOM 99 CB ILE A 6 0.734 8.929 -5.564 1.00 0.00 C ATOM 100 CG1 ILE A 6 -0.486 8.670 -6.450 1.00 0.00 C ATOM 101 CG2 ILE A 6 1.761 9.788 -6.304 1.00 0.00 C ATOM 102 CD1 ILE A 6 -1.364 9.879 -6.652 1.00 0.00 C ATOM 0 H ILE A 6 -0.267 7.259 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 6 1.752 7.077 -5.993 1.00 0.00 H new ATOM 0 HB ILE A 6 0.414 9.476 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.147 8.313 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.081 7.871 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.297 10.725 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.602 9.999 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.116 9.253 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.207 9.614 -7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.735 10.225 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.786 10.673 -7.124 1.00 0.00 H new ATOM 114 N ILE A 7 3.672 7.599 -4.509 1.00 0.00 N ATOM 115 CA ILE A 7 4.787 7.860 -3.639 1.00 0.00 C ATOM 116 C ILE A 7 4.878 9.346 -3.395 1.00 0.00 C ATOM 117 O ILE A 7 5.157 10.136 -4.306 1.00 0.00 O ATOM 118 CB ILE A 7 6.117 7.331 -4.199 1.00 0.00 C ATOM 119 CG1 ILE A 7 5.995 5.845 -4.556 1.00 0.00 C ATOM 120 CG2 ILE A 7 7.247 7.546 -3.184 1.00 0.00 C ATOM 121 CD1 ILE A 7 5.731 4.952 -3.373 1.00 0.00 C ATOM 0 H ILE A 7 3.921 7.213 -5.420 1.00 0.00 H new ATOM 0 HA ILE A 7 4.613 7.328 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 7 6.355 7.886 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.189 5.720 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.915 5.522 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.182 7.166 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.349 8.611 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.014 7.014 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.658 3.917 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.548 5.045 -2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.796 5.246 -2.896 1.00 0.00 H new ATOM 133 N TYR A 8 4.591 9.706 -2.196 1.00 0.00 N ATOM 134 CA TYR A 8 4.546 11.065 -1.776 1.00 0.00 C ATOM 135 C TYR A 8 5.892 11.490 -1.230 1.00 0.00 C ATOM 136 O TYR A 8 6.303 12.636 -1.395 1.00 0.00 O ATOM 137 CB TYR A 8 3.470 11.202 -0.693 1.00 0.00 C ATOM 138 CG TYR A 8 3.090 12.620 -0.347 1.00 0.00 C ATOM 139 CD1 TYR A 8 3.652 13.262 0.747 1.00 0.00 C ATOM 140 CD2 TYR A 8 2.160 13.310 -1.109 1.00 0.00 C ATOM 141 CE1 TYR A 8 3.300 14.552 1.073 1.00 0.00 C ATOM 142 CE2 TYR A 8 1.802 14.608 -0.791 1.00 0.00 C ATOM 143 CZ TYR A 8 2.376 15.223 0.303 1.00 0.00 C ATOM 144 OH TYR A 8 2.022 16.516 0.635 1.00 0.00 O ATOM 0 H TYR A 8 4.373 9.042 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 8 4.306 11.707 -2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.576 10.672 -1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.821 10.705 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.378 12.741 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.708 12.827 -1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.746 15.036 1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.079 15.136 -1.395 1.00 0.00 H new ATOM 0 HH TYR A 8 1.361 16.849 -0.007 1.00 0.00 H new ATOM 154 N GLU A 9 6.593 10.560 -0.614 1.00 0.00 N ATOM 155 CA GLU A 9 7.832 10.879 0.058 1.00 0.00 C ATOM 156 C GLU A 9 8.630 9.592 0.299 1.00 0.00 C ATOM 157 O GLU A 9 8.042 8.548 0.594 1.00 0.00 O ATOM 158 CB GLU A 9 7.465 11.560 1.394 1.00 0.00 C ATOM 159 CG GLU A 9 8.594 12.179 2.185 1.00 0.00 C ATOM 160 CD GLU A 9 8.064 13.181 3.184 1.00 0.00 C ATOM 161 OE1 GLU A 9 7.578 12.773 4.256 1.00 0.00 O ATOM 162 OE2 GLU A 9 8.088 14.395 2.897 1.00 0.00 O ATOM 0 H GLU A 9 6.324 9.577 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 9 8.451 11.546 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.731 12.339 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.974 10.820 2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.149 11.399 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.293 12.669 1.507 1.00 0.00 H new ATOM 169 N ILE A 10 9.934 9.660 0.139 1.00 0.00 N ATOM 170 CA ILE A 10 10.820 8.522 0.381 1.00 0.00 C ATOM 171 C ILE A 10 11.653 8.798 1.629 1.00 0.00 C ATOM 172 O ILE A 10 12.214 9.892 1.783 1.00 0.00 O ATOM 173 CB ILE A 10 11.760 8.239 -0.849 1.00 0.00 C ATOM 174 CG1 ILE A 10 10.977 7.601 -2.011 1.00 0.00 C ATOM 175 CG2 ILE A 10 12.970 7.372 -0.475 1.00 0.00 C ATOM 176 CD1 ILE A 10 10.493 6.189 -1.755 1.00 0.00 C ATOM 0 H ILE A 10 10.419 10.505 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 10 10.207 7.633 0.528 1.00 0.00 H new ATOM 0 HB ILE A 10 12.144 9.205 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.116 8.229 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.611 7.597 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.586 7.206 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.559 7.880 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.625 6.413 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.953 5.825 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.348 5.541 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.829 6.183 -0.890 1.00 0.00 H new ATOM 188 N GLN A 11 11.705 7.832 2.521 1.00 0.00 N ATOM 189 CA GLN A 11 12.456 7.953 3.750 1.00 0.00 C ATOM 190 C GLN A 11 13.243 6.698 4.015 1.00 0.00 C ATOM 191 O GLN A 11 12.743 5.756 4.626 1.00 0.00 O ATOM 192 CB GLN A 11 11.538 8.271 4.911 1.00 0.00 C ATOM 193 CG GLN A 11 11.274 9.742 5.048 1.00 0.00 C ATOM 194 CD GLN A 11 9.972 10.037 5.712 1.00 0.00 C ATOM 195 OE1 GLN A 11 8.945 10.172 4.924 1.00 0.00 O flip ATOM 196 NE2 GLN A 11 9.891 10.137 6.935 1.00 0.00 N flip ATOM 0 H GLN A 11 11.226 6.938 2.413 1.00 0.00 H new ATOM 0 HA GLN A 11 13.159 8.779 3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.592 7.746 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.982 7.897 5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.081 10.199 5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.285 10.202 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.724 10.023 7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.991 10.334 7.372 1.00 0.00 H new ATOM 205 N GLY A 12 14.447 6.675 3.507 1.00 0.00 N ATOM 206 CA GLY A 12 15.324 5.557 3.690 1.00 0.00 C ATOM 207 C GLY A 12 14.830 4.352 2.951 1.00 0.00 C ATOM 208 O GLY A 12 14.875 4.298 1.718 1.00 0.00 O ATOM 0 H GLY A 12 14.845 7.434 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.324 5.815 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.406 5.327 4.752 1.00 0.00 H new ATOM 212 N MET A 13 14.325 3.409 3.685 1.00 0.00 N ATOM 213 CA MET A 13 13.793 2.202 3.113 1.00 0.00 C ATOM 214 C MET A 13 12.280 2.197 3.231 1.00 0.00 C ATOM 215 O MET A 13 11.627 1.183 3.001 1.00 0.00 O ATOM 216 CB MET A 13 14.408 0.956 3.767 1.00 0.00 C ATOM 217 CG MET A 13 15.930 0.840 3.610 1.00 0.00 C ATOM 218 SD MET A 13 16.469 -0.092 2.140 1.00 0.00 S ATOM 219 CE MET A 13 15.975 0.981 0.788 1.00 0.00 C ATOM 0 H MET A 13 14.268 3.451 4.703 1.00 0.00 H new ATOM 0 HA MET A 13 14.058 2.173 2.056 1.00 0.00 H new ATOM 0 HB2 MET A 13 14.164 0.961 4.829 1.00 0.00 H new ATOM 0 HB3 MET A 13 13.943 0.069 3.338 1.00 0.00 H new ATOM 0 HG2 MET A 13 16.355 1.843 3.565 1.00 0.00 H new ATOM 0 HG3 MET A 13 16.339 0.360 4.499 1.00 0.00 H new ATOM 0 HE1 MET A 13 16.635 0.820 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.949 0.754 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 13 16.041 2.021 1.107 1.00 0.00 H new ATOM 229 N LYS A 14 11.722 3.340 3.580 1.00 0.00 N ATOM 230 CA LYS A 14 10.291 3.481 3.678 1.00 0.00 C ATOM 231 C LYS A 14 9.811 4.442 2.626 1.00 0.00 C ATOM 232 O LYS A 14 10.570 5.309 2.161 1.00 0.00 O ATOM 233 CB LYS A 14 9.871 4.030 5.031 1.00 0.00 C ATOM 234 CG LYS A 14 10.354 3.249 6.224 1.00 0.00 C ATOM 235 CD LYS A 14 9.795 3.851 7.486 1.00 0.00 C ATOM 236 CE LYS A 14 10.228 3.085 8.714 1.00 0.00 C ATOM 237 NZ LYS A 14 9.770 3.742 9.953 1.00 0.00 N ATOM 0 H LYS A 14 12.246 4.187 3.801 1.00 0.00 H new ATOM 0 HA LYS A 14 9.855 2.491 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.235 5.054 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.782 4.074 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.044 2.207 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.443 3.256 6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.122 4.887 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.706 3.864 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.830 2.071 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.315 3.000 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.085 3.189 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.170 4.700 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.732 3.800 9.952 1.00 0.00 H new ATOM 251 N ALA A 15 8.584 4.303 2.265 1.00 0.00 N ATOM 252 CA ALA A 15 7.957 5.171 1.334 1.00 0.00 C ATOM 253 C ALA A 15 6.597 5.543 1.845 1.00 0.00 C ATOM 254 O ALA A 15 5.906 4.728 2.450 1.00 0.00 O ATOM 255 CB ALA A 15 7.836 4.513 -0.019 1.00 0.00 C ATOM 0 H ALA A 15 7.975 3.565 2.618 1.00 0.00 H new ATOM 0 HA ALA A 15 8.568 6.067 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.352 5.198 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.829 4.260 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.239 3.605 0.070 1.00 0.00 H new ATOM 261 N VAL A 16 6.246 6.764 1.653 1.00 0.00 N ATOM 262 CA VAL A 16 4.941 7.251 2.014 1.00 0.00 C ATOM 263 C VAL A 16 4.080 7.233 0.775 1.00 0.00 C ATOM 264 O VAL A 16 4.423 7.873 -0.225 1.00 0.00 O ATOM 265 CB VAL A 16 4.993 8.705 2.557 1.00 0.00 C ATOM 266 CG1 VAL A 16 3.615 9.175 3.013 1.00 0.00 C ATOM 267 CG2 VAL A 16 5.986 8.826 3.689 1.00 0.00 C ATOM 0 H VAL A 16 6.855 7.469 1.237 1.00 0.00 H new ATOM 0 HA VAL A 16 4.538 6.613 2.801 1.00 0.00 H new ATOM 0 HB VAL A 16 5.320 9.347 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.684 10.196 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.923 9.144 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.252 8.521 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.002 9.854 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.694 8.160 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.979 8.551 3.333 1.00 0.00 H new ATOM 277 N VAL A 17 3.016 6.499 0.812 1.00 0.00 N ATOM 278 CA VAL A 17 2.114 6.444 -0.305 1.00 0.00 C ATOM 279 C VAL A 17 0.840 7.149 0.006 1.00 0.00 C ATOM 280 O VAL A 17 0.238 6.933 1.053 1.00 0.00 O ATOM 281 CB VAL A 17 1.764 5.009 -0.772 1.00 0.00 C ATOM 282 CG1 VAL A 17 2.775 4.494 -1.749 1.00 0.00 C ATOM 283 CG2 VAL A 17 1.619 4.056 0.395 1.00 0.00 C ATOM 0 H VAL A 17 2.744 5.923 1.608 1.00 0.00 H new ATOM 0 HA VAL A 17 2.652 6.935 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 17 0.799 5.066 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.502 3.485 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.802 5.146 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.758 4.476 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.373 3.061 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.556 4.015 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.823 4.405 1.053 1.00 0.00 H new ATOM 293 N LEU A 18 0.461 8.010 -0.871 1.00 0.00 N ATOM 294 CA LEU A 18 -0.808 8.630 -0.809 1.00 0.00 C ATOM 295 C LEU A 18 -1.708 7.766 -1.660 1.00 0.00 C ATOM 296 O LEU A 18 -1.632 7.790 -2.900 1.00 0.00 O ATOM 297 CB LEU A 18 -0.716 10.057 -1.345 1.00 0.00 C ATOM 298 CG LEU A 18 -2.022 10.828 -1.484 1.00 0.00 C ATOM 299 CD1 LEU A 18 -2.631 11.104 -0.125 1.00 0.00 C ATOM 300 CD2 LEU A 18 -1.790 12.118 -2.232 1.00 0.00 C ATOM 0 H LEU A 18 1.034 8.305 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.192 8.711 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.056 10.624 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.238 10.021 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.724 10.217 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.563 11.656 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.833 10.160 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.936 11.695 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.732 12.659 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.071 12.730 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.399 11.897 -3.225 1.00 0.00 H new ATOM 312 N THR A 19 -2.496 6.962 -1.008 1.00 0.00 N ATOM 313 CA THR A 19 -3.295 5.969 -1.667 1.00 0.00 C ATOM 314 C THR A 19 -4.448 6.573 -2.447 1.00 0.00 C ATOM 315 O THR A 19 -4.702 7.788 -2.384 1.00 0.00 O ATOM 316 CB THR A 19 -3.829 4.947 -0.652 1.00 0.00 C ATOM 317 OG1 THR A 19 -4.540 5.627 0.398 1.00 0.00 O ATOM 318 CG2 THR A 19 -2.679 4.150 -0.056 1.00 0.00 C ATOM 0 H THR A 19 -2.604 6.977 0.006 1.00 0.00 H new ATOM 0 HA THR A 19 -2.644 5.467 -2.383 1.00 0.00 H new ATOM 0 HB THR A 19 -4.507 4.264 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.137 4.995 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.070 3.429 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.152 3.622 -0.851 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.990 4.827 0.448 1.00 0.00 H new ATOM 326 N SER A 20 -5.165 5.727 -3.158 1.00 0.00 N ATOM 327 CA SER A 20 -6.329 6.118 -3.924 1.00 0.00 C ATOM 328 C SER A 20 -7.486 6.550 -2.999 1.00 0.00 C ATOM 329 O SER A 20 -8.511 7.069 -3.456 1.00 0.00 O ATOM 330 CB SER A 20 -6.721 4.940 -4.803 1.00 0.00 C ATOM 331 OG SER A 20 -6.607 3.725 -4.063 1.00 0.00 O ATOM 0 H SER A 20 -4.951 4.732 -3.220 1.00 0.00 H new ATOM 0 HA SER A 20 -6.099 6.982 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.744 5.065 -5.159 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.079 4.902 -5.683 1.00 0.00 H new ATOM 0 HG SER A 20 -6.862 2.970 -4.633 1.00 0.00 H new ATOM 337 N GLU A 21 -7.293 6.330 -1.704 1.00 0.00 N ATOM 338 CA GLU A 21 -8.232 6.722 -0.682 1.00 0.00 C ATOM 339 C GLU A 21 -7.791 8.043 -0.058 1.00 0.00 C ATOM 340 O GLU A 21 -8.440 8.571 0.847 1.00 0.00 O ATOM 341 CB GLU A 21 -8.306 5.641 0.387 1.00 0.00 C ATOM 342 CG GLU A 21 -8.758 4.302 -0.146 1.00 0.00 C ATOM 343 CD GLU A 21 -8.593 3.193 0.849 1.00 0.00 C ATOM 344 OE1 GLU A 21 -9.459 3.017 1.716 1.00 0.00 O ATOM 345 OE2 GLU A 21 -7.604 2.432 0.749 1.00 0.00 O ATOM 0 H GLU A 21 -6.462 5.865 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.218 6.851 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.325 5.528 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.991 5.962 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.806 4.368 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.190 4.064 -1.045 1.00 0.00 H new ATOM 352 N GLY A 22 -6.667 8.567 -0.534 1.00 0.00 N ATOM 353 CA GLY A 22 -6.171 9.822 -0.036 1.00 0.00 C ATOM 354 C GLY A 22 -5.521 9.690 1.322 1.00 0.00 C ATOM 355 O GLY A 22 -5.367 10.678 2.040 1.00 0.00 O ATOM 0 H GLY A 22 -6.093 8.137 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.448 10.230 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.993 10.535 0.026 1.00 0.00 H new ATOM 359 N GLU A 23 -5.125 8.490 1.665 1.00 0.00 N ATOM 360 CA GLU A 23 -4.500 8.220 2.940 1.00 0.00 C ATOM 361 C GLU A 23 -3.012 8.111 2.743 1.00 0.00 C ATOM 362 O GLU A 23 -2.566 7.673 1.685 1.00 0.00 O ATOM 363 CB GLU A 23 -5.030 6.906 3.507 1.00 0.00 C ATOM 364 CG GLU A 23 -6.484 6.945 3.909 1.00 0.00 C ATOM 365 CD GLU A 23 -6.699 7.738 5.165 1.00 0.00 C ATOM 366 OE1 GLU A 23 -6.518 7.180 6.264 1.00 0.00 O ATOM 367 OE2 GLU A 23 -7.070 8.926 5.081 1.00 0.00 O ATOM 0 H GLU A 23 -5.226 7.669 1.068 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.726 9.029 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.892 6.121 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.432 6.631 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.072 7.380 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.847 5.928 4.056 1.00 0.00 H new ATOM 374 N PHE A 24 -2.251 8.517 3.720 1.00 0.00 N ATOM 375 CA PHE A 24 -0.822 8.389 3.644 1.00 0.00 C ATOM 376 C PHE A 24 -0.416 7.162 4.419 1.00 0.00 C ATOM 377 O PHE A 24 -0.569 7.107 5.643 1.00 0.00 O ATOM 378 CB PHE A 24 -0.101 9.618 4.213 1.00 0.00 C ATOM 379 CG PHE A 24 -0.418 10.916 3.533 1.00 0.00 C ATOM 380 CD1 PHE A 24 -1.566 11.623 3.850 1.00 0.00 C ATOM 381 CD2 PHE A 24 0.445 11.435 2.590 1.00 0.00 C ATOM 382 CE1 PHE A 24 -1.847 12.824 3.237 1.00 0.00 C ATOM 383 CE2 PHE A 24 0.169 12.638 1.971 1.00 0.00 C ATOM 384 CZ PHE A 24 -0.980 13.333 2.295 1.00 0.00 C ATOM 0 H PHE A 24 -2.597 8.941 4.581 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.537 8.304 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.352 9.709 5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.974 9.448 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.249 11.228 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.345 10.895 2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.745 13.366 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.851 13.035 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.198 14.273 1.811 1.00 0.00 H new ATOM 394 N LEU A 25 0.065 6.191 3.727 1.00 0.00 N ATOM 395 CA LEU A 25 0.480 4.953 4.336 1.00 0.00 C ATOM 396 C LEU A 25 1.978 4.842 4.263 1.00 0.00 C ATOM 397 O LEU A 25 2.595 5.345 3.322 1.00 0.00 O ATOM 398 CB LEU A 25 -0.159 3.747 3.628 1.00 0.00 C ATOM 399 CG LEU A 25 -1.496 3.223 4.178 1.00 0.00 C ATOM 400 CD1 LEU A 25 -2.604 4.252 4.031 1.00 0.00 C ATOM 401 CD2 LEU A 25 -1.877 1.938 3.470 1.00 0.00 C ATOM 0 H LEU A 25 0.187 6.222 2.715 1.00 0.00 H new ATOM 0 HA LEU A 25 0.154 4.952 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.308 4.012 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.558 2.926 3.650 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.368 3.026 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.533 3.846 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.337 5.155 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.738 4.495 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.825 1.572 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.978 2.127 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.103 1.189 3.634 1.00 0.00 H new ATOM 413 N ILE A 26 2.562 4.217 5.241 1.00 0.00 N ATOM 414 CA ILE A 26 3.981 3.993 5.242 1.00 0.00 C ATOM 415 C ILE A 26 4.205 2.593 4.727 1.00 0.00 C ATOM 416 O ILE A 26 3.658 1.636 5.277 1.00 0.00 O ATOM 417 CB ILE A 26 4.593 4.119 6.669 1.00 0.00 C ATOM 418 CG1 ILE A 26 4.241 5.474 7.314 1.00 0.00 C ATOM 419 CG2 ILE A 26 6.109 3.924 6.628 1.00 0.00 C ATOM 420 CD1 ILE A 26 4.815 6.683 6.599 1.00 0.00 C ATOM 0 H ILE A 26 2.074 3.849 6.057 1.00 0.00 H new ATOM 0 HA ILE A 26 4.466 4.744 4.618 1.00 0.00 H new ATOM 0 HB ILE A 26 4.158 3.332 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.156 5.572 7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.597 5.475 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.515 4.016 7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.338 2.934 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.556 4.683 5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.516 7.591 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.903 6.614 6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.439 6.713 5.576 1.00 0.00 H new ATOM 432 N ILE A 27 4.929 2.463 3.666 1.00 0.00 N ATOM 433 CA ILE A 27 5.192 1.168 3.099 1.00 0.00 C ATOM 434 C ILE A 27 6.678 0.972 2.927 1.00 0.00 C ATOM 435 O ILE A 27 7.458 1.924 3.043 1.00 0.00 O ATOM 436 CB ILE A 27 4.489 0.953 1.723 1.00 0.00 C ATOM 437 CG1 ILE A 27 5.034 1.924 0.670 1.00 0.00 C ATOM 438 CG2 ILE A 27 2.974 1.083 1.847 1.00 0.00 C ATOM 439 CD1 ILE A 27 4.603 1.600 -0.741 1.00 0.00 C ATOM 0 H ILE A 27 5.356 3.242 3.164 1.00 0.00 H new ATOM 0 HA ILE A 27 4.785 0.435 3.796 1.00 0.00 H new ATOM 0 HB ILE A 27 4.711 -0.063 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.706 2.934 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.123 1.922 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.514 0.928 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.601 0.335 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.723 2.079 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.028 2.331 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.954 0.603 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.515 1.631 -0.805 1.00 0.00 H new ATOM 451 N ARG A 28 7.057 -0.254 2.727 1.00 0.00 N ATOM 452 CA ARG A 28 8.423 -0.615 2.420 1.00 0.00 C ATOM 453 C ARG A 28 8.766 -0.125 1.026 1.00 0.00 C ATOM 454 O ARG A 28 7.997 -0.314 0.086 1.00 0.00 O ATOM 455 CB ARG A 28 8.618 -2.135 2.473 1.00 0.00 C ATOM 456 CG ARG A 28 8.266 -2.785 3.800 1.00 0.00 C ATOM 457 CD ARG A 28 8.577 -4.269 3.769 1.00 0.00 C ATOM 458 NE ARG A 28 7.851 -5.025 4.799 1.00 0.00 N ATOM 459 CZ ARG A 28 7.885 -6.359 4.927 1.00 0.00 C ATOM 460 NH1 ARG A 28 8.712 -7.083 4.177 1.00 0.00 N ATOM 461 NH2 ARG A 28 7.105 -6.968 5.814 1.00 0.00 N ATOM 0 H ARG A 28 6.421 -1.050 2.772 1.00 0.00 H new ATOM 0 HA ARG A 28 9.075 -0.153 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.011 -2.591 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.659 -2.360 2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.826 -2.308 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.208 -2.634 4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.325 -4.668 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.649 -4.414 3.906 1.00 0.00 H new ATOM 0 HE ARG A 28 7.282 -4.499 5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.323 -6.623 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.735 -8.098 4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.476 -6.420 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.135 -7.983 5.907 1.00 0.00 H new ATOM 475 N ARG A 29 9.889 0.510 0.908 1.00 0.00 N ATOM 476 CA ARG A 29 10.362 1.005 -0.357 1.00 0.00 C ATOM 477 C ARG A 29 10.952 -0.125 -1.174 1.00 0.00 C ATOM 478 O ARG A 29 11.650 -1.009 -0.653 1.00 0.00 O ATOM 479 CB ARG A 29 11.385 2.117 -0.129 1.00 0.00 C ATOM 480 CG ARG A 29 12.133 2.575 -1.367 1.00 0.00 C ATOM 481 CD ARG A 29 13.334 3.380 -0.972 1.00 0.00 C ATOM 482 NE ARG A 29 14.147 3.794 -2.116 1.00 0.00 N ATOM 483 CZ ARG A 29 15.218 4.595 -2.036 1.00 0.00 C ATOM 484 NH1 ARG A 29 15.665 5.020 -0.846 1.00 0.00 N ATOM 485 NH2 ARG A 29 15.856 4.942 -3.141 1.00 0.00 N ATOM 0 H ARG A 29 10.513 0.704 1.691 1.00 0.00 H new ATOM 0 HA ARG A 29 9.525 1.421 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.873 2.976 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.111 1.774 0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.442 1.711 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.476 3.173 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.008 4.265 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.949 2.793 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 29 13.880 3.449 -3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.189 4.734 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.481 5.630 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.532 4.600 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.672 5.551 -3.089 1.00 0.00 H new ATOM 499 N ARG A 30 10.631 -0.106 -2.429 1.00 0.00 N ATOM 500 CA ARG A 30 11.125 -1.061 -3.378 1.00 0.00 C ATOM 501 C ARG A 30 12.082 -0.330 -4.313 1.00 0.00 C ATOM 502 O ARG A 30 12.183 0.898 -4.247 1.00 0.00 O ATOM 503 CB ARG A 30 9.968 -1.688 -4.173 1.00 0.00 C ATOM 504 CG ARG A 30 9.015 -2.571 -3.355 1.00 0.00 C ATOM 505 CD ARG A 30 7.918 -3.136 -4.251 1.00 0.00 C ATOM 506 NE ARG A 30 6.981 -4.036 -3.554 1.00 0.00 N ATOM 507 CZ ARG A 30 6.361 -5.083 -4.136 1.00 0.00 C ATOM 508 NH1 ARG A 30 6.683 -5.449 -5.381 1.00 0.00 N ATOM 509 NH2 ARG A 30 5.433 -5.754 -3.475 1.00 0.00 N ATOM 0 H ARG A 30 10.004 0.589 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 30 11.641 -1.872 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.390 -0.887 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.387 -2.286 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.571 -3.386 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.571 -1.988 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.356 -2.309 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.380 -3.677 -5.077 1.00 0.00 H new ATOM 0 HE ARG A 30 6.789 -3.855 -2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.400 -4.936 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.212 -6.241 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.185 -5.480 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.965 -6.546 -3.916 1.00 0.00 H new ATOM 523 N LYS A 31 12.748 -1.049 -5.184 1.00 0.00 N ATOM 524 CA LYS A 31 13.740 -0.453 -6.088 1.00 0.00 C ATOM 525 C LYS A 31 13.103 0.509 -7.088 1.00 0.00 C ATOM 526 O LYS A 31 13.602 1.611 -7.318 1.00 0.00 O ATOM 527 CB LYS A 31 14.489 -1.536 -6.845 1.00 0.00 C ATOM 528 CG LYS A 31 15.236 -2.522 -5.962 1.00 0.00 C ATOM 529 CD LYS A 31 15.890 -3.619 -6.787 1.00 0.00 C ATOM 530 CE LYS A 31 14.864 -4.533 -7.452 1.00 0.00 C ATOM 531 NZ LYS A 31 15.494 -5.505 -8.365 1.00 0.00 N ATOM 0 H LYS A 31 12.630 -2.056 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 31 14.434 0.113 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.779 -2.086 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.200 -1.063 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.997 -1.994 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.546 -2.966 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.521 -3.168 -7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 31 16.541 -4.213 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.305 -5.068 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.146 -3.928 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.760 -6.104 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.007 -4.996 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.160 -6.100 -7.832 1.00 0.00 H new ATOM 545 N ASP A 32 11.966 0.120 -7.614 1.00 0.00 N ATOM 546 CA ASP A 32 11.276 0.889 -8.656 1.00 0.00 C ATOM 547 C ASP A 32 10.315 1.869 -8.026 1.00 0.00 C ATOM 548 O ASP A 32 9.399 2.376 -8.677 1.00 0.00 O ATOM 549 CB ASP A 32 10.486 -0.039 -9.603 1.00 0.00 C ATOM 550 CG ASP A 32 11.336 -1.050 -10.335 1.00 0.00 C ATOM 551 OD1 ASP A 32 11.401 -2.220 -9.896 1.00 0.00 O ATOM 552 OD2 ASP A 32 11.937 -0.711 -11.368 1.00 0.00 O ATOM 0 H ASP A 32 11.483 -0.736 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 32 12.034 1.422 -9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.729 -0.569 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.958 0.572 -10.335 1.00 0.00 H new ATOM 557 N MET A 33 10.503 2.124 -6.764 1.00 0.00 N ATOM 558 CA MET A 33 9.651 2.993 -6.040 1.00 0.00 C ATOM 559 C MET A 33 10.291 4.374 -5.947 1.00 0.00 C ATOM 560 O MET A 33 11.272 4.572 -5.238 1.00 0.00 O ATOM 561 CB MET A 33 9.437 2.370 -4.686 1.00 0.00 C ATOM 562 CG MET A 33 8.508 3.093 -3.792 1.00 0.00 C ATOM 563 SD MET A 33 8.025 2.089 -2.387 1.00 0.00 S ATOM 564 CE MET A 33 7.069 0.784 -3.171 1.00 0.00 C ATOM 0 H MET A 33 11.262 1.726 -6.212 1.00 0.00 H new ATOM 0 HA MET A 33 8.688 3.126 -6.532 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.062 1.356 -4.827 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.403 2.287 -4.187 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.981 4.009 -3.439 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.620 3.388 -4.351 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.310 -0.172 -2.707 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.005 0.989 -3.049 1.00 0.00 H new ATOM 0 HE3 MET A 33 7.311 0.743 -4.233 1.00 0.00 H new ATOM 574 N LYS A 34 9.744 5.305 -6.701 1.00 0.00 N ATOM 575 CA LYS A 34 10.248 6.641 -6.805 1.00 0.00 C ATOM 576 C LYS A 34 9.127 7.612 -6.482 1.00 0.00 C ATOM 577 O LYS A 34 7.962 7.278 -6.661 1.00 0.00 O ATOM 578 CB LYS A 34 10.710 6.845 -8.238 1.00 0.00 C ATOM 579 CG LYS A 34 11.701 5.796 -8.715 1.00 0.00 C ATOM 580 CD LYS A 34 11.560 5.436 -10.199 1.00 0.00 C ATOM 581 CE LYS A 34 11.945 6.567 -11.147 1.00 0.00 C ATOM 582 NZ LYS A 34 10.866 7.557 -11.329 1.00 0.00 N ATOM 0 H LYS A 34 8.914 5.139 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 34 11.074 6.808 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.841 6.836 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.167 7.831 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.713 6.158 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.574 4.893 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.183 4.567 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.528 5.145 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.832 7.071 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.212 6.146 -12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.003 8.058 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.947 7.071 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.886 8.241 -10.546 1.00 0.00 H new ATOM 596 N VAL A 35 9.470 8.800 -6.041 1.00 0.00 N ATOM 597 CA VAL A 35 8.476 9.799 -5.635 1.00 0.00 C ATOM 598 C VAL A 35 7.734 10.353 -6.849 1.00 0.00 C ATOM 599 O VAL A 35 8.352 10.717 -7.847 1.00 0.00 O ATOM 600 CB VAL A 35 9.131 10.977 -4.854 1.00 0.00 C ATOM 601 CG1 VAL A 35 8.081 11.903 -4.256 1.00 0.00 C ATOM 602 CG2 VAL A 35 10.023 10.462 -3.756 1.00 0.00 C ATOM 0 H VAL A 35 10.437 9.112 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 35 7.769 9.294 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 35 9.728 11.542 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.574 12.713 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.466 12.319 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.451 11.341 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.469 11.303 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.435 9.864 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.812 9.846 -4.187 1.00 0.00 H new ATOM 612 N GLY A 36 6.419 10.381 -6.770 1.00 0.00 N ATOM 613 CA GLY A 36 5.628 10.940 -7.835 1.00 0.00 C ATOM 614 C GLY A 36 4.806 9.910 -8.571 1.00 0.00 C ATOM 615 O GLY A 36 3.750 10.223 -9.124 1.00 0.00 O ATOM 0 H GLY A 36 5.882 10.023 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.963 11.700 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.287 11.442 -8.543 1.00 0.00 H new ATOM 619 N GLN A 37 5.266 8.694 -8.594 1.00 0.00 N ATOM 620 CA GLN A 37 4.568 7.660 -9.325 1.00 0.00 C ATOM 621 C GLN A 37 3.600 6.873 -8.461 1.00 0.00 C ATOM 622 O GLN A 37 3.817 6.701 -7.250 1.00 0.00 O ATOM 623 CB GLN A 37 5.544 6.752 -10.080 1.00 0.00 C ATOM 624 CG GLN A 37 6.620 6.124 -9.243 1.00 0.00 C ATOM 625 CD GLN A 37 7.742 5.632 -10.109 1.00 0.00 C ATOM 626 OE1 GLN A 37 8.597 6.399 -10.504 1.00 0.00 O ATOM 627 NE2 GLN A 37 7.776 4.369 -10.389 1.00 0.00 N ATOM 0 H GLN A 37 6.116 8.388 -8.120 1.00 0.00 H new ATOM 0 HA GLN A 37 3.952 8.166 -10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.975 5.959 -10.564 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.016 7.334 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.000 6.850 -8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.205 5.295 -8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.043 3.750 -10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.536 3.993 -10.956 1.00 0.00 H new ATOM 636 N GLN A 38 2.517 6.445 -9.077 1.00 0.00 N ATOM 637 CA GLN A 38 1.542 5.599 -8.435 1.00 0.00 C ATOM 638 C GLN A 38 2.001 4.172 -8.610 1.00 0.00 C ATOM 639 O GLN A 38 2.131 3.678 -9.746 1.00 0.00 O ATOM 640 CB GLN A 38 0.154 5.794 -9.055 1.00 0.00 C ATOM 641 CG GLN A 38 -0.998 5.283 -8.191 1.00 0.00 C ATOM 642 CD GLN A 38 -2.347 5.386 -8.885 1.00 0.00 C ATOM 643 OE1 GLN A 38 -2.446 5.252 -10.106 1.00 0.00 O ATOM 644 NE2 GLN A 38 -3.382 5.667 -8.139 1.00 0.00 N ATOM 0 H GLN A 38 2.291 6.678 -10.044 1.00 0.00 H new ATOM 0 HA GLN A 38 1.460 5.852 -7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.002 6.855 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.124 5.284 -10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.811 4.243 -7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.029 5.851 -7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.270 5.772 -7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.302 5.781 -8.565 1.00 0.00 H new ATOM 653 N VAL A 39 2.279 3.527 -7.526 1.00 0.00 N ATOM 654 CA VAL A 39 2.815 2.199 -7.562 1.00 0.00 C ATOM 655 C VAL A 39 1.830 1.213 -6.982 1.00 0.00 C ATOM 656 O VAL A 39 0.947 1.582 -6.192 1.00 0.00 O ATOM 657 CB VAL A 39 4.169 2.089 -6.788 1.00 0.00 C ATOM 658 CG1 VAL A 39 5.197 3.064 -7.336 1.00 0.00 C ATOM 659 CG2 VAL A 39 3.976 2.310 -5.294 1.00 0.00 C ATOM 0 H VAL A 39 2.142 3.902 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 39 3.001 1.963 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 39 4.543 1.076 -6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.128 2.964 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.380 2.846 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.822 4.083 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.937 2.227 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.561 3.303 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.292 1.558 -4.900 1.00 0.00 H new ATOM 669 N SER A 40 1.950 -0.009 -7.400 1.00 0.00 N ATOM 670 CA SER A 40 1.182 -1.066 -6.851 1.00 0.00 C ATOM 671 C SER A 40 2.029 -1.740 -5.783 1.00 0.00 C ATOM 672 O SER A 40 3.085 -2.310 -6.079 1.00 0.00 O ATOM 673 CB SER A 40 0.833 -2.072 -7.947 1.00 0.00 C ATOM 674 OG SER A 40 0.443 -1.400 -9.139 1.00 0.00 O ATOM 0 H SER A 40 2.592 -0.296 -8.139 1.00 0.00 H new ATOM 0 HA SER A 40 0.254 -0.687 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.693 -2.711 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.025 -2.721 -7.608 1.00 0.00 H new ATOM 0 HG SER A 40 0.225 -2.060 -9.830 1.00 0.00 H new ATOM 680 N PHE A 41 1.590 -1.674 -4.576 1.00 0.00 N ATOM 681 CA PHE A 41 2.301 -2.289 -3.482 1.00 0.00 C ATOM 682 C PHE A 41 1.401 -3.278 -2.873 1.00 0.00 C ATOM 683 O PHE A 41 0.215 -3.249 -3.131 1.00 0.00 O ATOM 684 CB PHE A 41 2.742 -1.264 -2.424 1.00 0.00 C ATOM 685 CG PHE A 41 1.633 -0.378 -1.895 1.00 0.00 C ATOM 686 CD1 PHE A 41 1.300 0.801 -2.538 1.00 0.00 C ATOM 687 CD2 PHE A 41 0.924 -0.736 -0.755 1.00 0.00 C ATOM 688 CE1 PHE A 41 0.286 1.602 -2.057 1.00 0.00 C ATOM 689 CE2 PHE A 41 -0.089 0.062 -0.273 1.00 0.00 C ATOM 690 CZ PHE A 41 -0.409 1.231 -0.924 1.00 0.00 C ATOM 0 H PHE A 41 0.730 -1.196 -4.306 1.00 0.00 H new ATOM 0 HA PHE A 41 3.209 -2.755 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.192 -1.798 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.519 -0.632 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.840 1.097 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.171 -1.653 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.036 2.520 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.631 -0.229 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.204 1.858 -0.548 1.00 0.00 H new ATOM 700 N GLU A 42 1.919 -4.133 -2.104 1.00 0.00 N ATOM 701 CA GLU A 42 1.115 -5.142 -1.494 1.00 0.00 C ATOM 702 C GLU A 42 0.723 -4.727 -0.124 1.00 0.00 C ATOM 703 O GLU A 42 1.300 -3.811 0.454 1.00 0.00 O ATOM 704 CB GLU A 42 1.881 -6.433 -1.371 1.00 0.00 C ATOM 705 CG GLU A 42 2.196 -7.095 -2.668 1.00 0.00 C ATOM 706 CD GLU A 42 1.192 -8.138 -2.985 1.00 0.00 C ATOM 707 OE1 GLU A 42 0.298 -8.391 -2.136 1.00 0.00 O ATOM 708 OE2 GLU A 42 1.276 -8.751 -4.059 1.00 0.00 O ATOM 0 H GLU A 42 2.910 -4.171 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 42 0.236 -5.283 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.814 -6.237 -0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.305 -7.124 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.218 -6.351 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.189 -7.542 -2.621 1.00 0.00 H new ATOM 715 N ASN A 43 -0.228 -5.436 0.423 1.00 0.00 N ATOM 716 CA ASN A 43 -0.593 -5.266 1.824 1.00 0.00 C ATOM 717 C ASN A 43 0.561 -5.744 2.694 1.00 0.00 C ATOM 718 O ASN A 43 0.733 -5.324 3.833 1.00 0.00 O ATOM 719 CB ASN A 43 -1.893 -6.006 2.149 1.00 0.00 C ATOM 720 CG ASN A 43 -3.113 -5.091 2.103 1.00 0.00 C ATOM 721 OD1 ASN A 43 -3.628 -4.686 3.136 1.00 0.00 O ATOM 722 ND2 ASN A 43 -3.565 -4.729 0.917 1.00 0.00 N ATOM 0 H ASN A 43 -0.772 -6.142 -0.073 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.777 -4.211 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.029 -6.823 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.815 -6.453 3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.362 -4.097 0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.117 -5.081 0.071 1.00 0.00 H new ATOM 729 N GLU A 44 1.401 -6.566 2.084 1.00 0.00 N ATOM 730 CA GLU A 44 2.588 -7.106 2.704 1.00 0.00 C ATOM 731 C GLU A 44 3.722 -6.062 2.720 1.00 0.00 C ATOM 732 O GLU A 44 4.733 -6.253 3.381 1.00 0.00 O ATOM 733 CB GLU A 44 3.044 -8.342 1.932 1.00 0.00 C ATOM 734 CG GLU A 44 1.991 -9.427 1.811 1.00 0.00 C ATOM 735 CD GLU A 44 2.497 -10.651 1.084 1.00 0.00 C ATOM 736 OE1 GLU A 44 2.029 -10.934 -0.053 1.00 0.00 O ATOM 737 OE2 GLU A 44 3.355 -11.368 1.636 1.00 0.00 O ATOM 0 H GLU A 44 1.268 -6.880 1.123 1.00 0.00 H new ATOM 0 HA GLU A 44 2.352 -7.375 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.352 -8.038 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.923 -8.759 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.655 -9.714 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.124 -9.029 1.284 1.00 0.00 H new ATOM 744 N ASP A 45 3.557 -4.971 1.973 1.00 0.00 N ATOM 745 CA ASP A 45 4.578 -3.904 1.925 1.00 0.00 C ATOM 746 C ASP A 45 4.273 -2.866 2.956 1.00 0.00 C ATOM 747 O ASP A 45 5.131 -2.082 3.329 1.00 0.00 O ATOM 748 CB ASP A 45 4.618 -3.178 0.561 1.00 0.00 C ATOM 749 CG ASP A 45 5.212 -3.972 -0.564 1.00 0.00 C ATOM 750 OD1 ASP A 45 6.411 -3.858 -0.840 1.00 0.00 O ATOM 751 OD2 ASP A 45 4.480 -4.725 -1.211 1.00 0.00 O ATOM 0 H ASP A 45 2.736 -4.795 1.394 1.00 0.00 H new ATOM 0 HA ASP A 45 5.537 -4.392 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.602 -2.894 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.187 -2.255 0.674 1.00 0.00 H new ATOM 756 N ILE A 46 3.050 -2.857 3.416 1.00 0.00 N ATOM 757 CA ILE A 46 2.597 -1.825 4.308 1.00 0.00 C ATOM 758 C ILE A 46 3.195 -1.996 5.695 1.00 0.00 C ATOM 759 O ILE A 46 3.060 -3.050 6.316 1.00 0.00 O ATOM 760 CB ILE A 46 1.045 -1.758 4.386 1.00 0.00 C ATOM 761 CG1 ILE A 46 0.428 -1.833 2.981 1.00 0.00 C ATOM 762 CG2 ILE A 46 0.617 -0.467 5.060 1.00 0.00 C ATOM 763 CD1 ILE A 46 -1.089 -1.894 2.967 1.00 0.00 C ATOM 0 H ILE A 46 2.346 -3.558 3.185 1.00 0.00 H new ATOM 0 HA ILE A 46 2.945 -0.878 3.896 1.00 0.00 H new ATOM 0 HB ILE A 46 0.693 -2.608 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.750 -0.963 2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.820 -2.713 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.471 -0.427 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.029 -0.429 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.985 0.383 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.442 -1.945 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.423 -2.779 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.493 -1.002 3.445 1.00 0.00 H new ATOM 775 N TYR A 47 3.866 -0.951 6.157 1.00 0.00 N ATOM 776 CA TYR A 47 4.471 -0.916 7.477 1.00 0.00 C ATOM 777 C TYR A 47 3.375 -0.804 8.514 1.00 0.00 C ATOM 778 O TYR A 47 3.540 -1.213 9.670 1.00 0.00 O ATOM 779 CB TYR A 47 5.413 0.281 7.589 1.00 0.00 C ATOM 780 CG TYR A 47 6.875 -0.033 7.412 1.00 0.00 C ATOM 781 CD1 TYR A 47 7.526 0.283 6.235 1.00 0.00 C ATOM 782 CD2 TYR A 47 7.609 -0.627 8.426 1.00 0.00 C ATOM 783 CE1 TYR A 47 8.864 0.018 6.069 1.00 0.00 C ATOM 784 CE2 TYR A 47 8.952 -0.899 8.267 1.00 0.00 C ATOM 785 CZ TYR A 47 9.572 -0.570 7.082 1.00 0.00 C ATOM 786 OH TYR A 47 10.907 -0.830 6.913 1.00 0.00 O ATOM 0 H TYR A 47 4.006 -0.096 5.619 1.00 0.00 H new ATOM 0 HA TYR A 47 5.045 -1.828 7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.124 1.021 6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.273 0.743 8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.973 0.747 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.122 -0.881 9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.356 0.273 5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.512 -1.365 9.064 1.00 0.00 H new ATOM 0 HH TYR A 47 11.264 -1.248 7.724 1.00 0.00 H new ATOM 796 N ASN A 48 2.274 -0.207 8.100 1.00 0.00 N ATOM 797 CA ASN A 48 1.068 -0.129 8.908 1.00 0.00 C ATOM 798 C ASN A 48 0.433 -1.505 8.897 1.00 0.00 C ATOM 799 O ASN A 48 -0.306 -1.852 7.968 1.00 0.00 O ATOM 800 CB ASN A 48 0.067 0.903 8.332 1.00 0.00 C ATOM 801 CG ASN A 48 0.558 2.341 8.368 1.00 0.00 C ATOM 802 OD1 ASN A 48 1.250 2.802 7.456 1.00 0.00 O ATOM 803 ND2 ASN A 48 0.181 3.070 9.390 1.00 0.00 N ATOM 0 H ASN A 48 2.189 0.241 7.188 1.00 0.00 H new ATOM 0 HA ASN A 48 1.323 0.190 9.919 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.159 0.635 7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.867 0.836 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.460 4.049 9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.391 2.658 10.127 1.00 0.00 H new ATOM 810 N VAL A 49 0.758 -2.298 9.890 1.00 0.00 N ATOM 811 CA VAL A 49 0.313 -3.672 9.955 1.00 0.00 C ATOM 812 C VAL A 49 -1.173 -3.751 10.237 1.00 0.00 C ATOM 813 O VAL A 49 -1.627 -3.493 11.349 1.00 0.00 O ATOM 814 CB VAL A 49 1.100 -4.499 11.015 1.00 0.00 C ATOM 815 CG1 VAL A 49 0.676 -5.967 10.989 1.00 0.00 C ATOM 816 CG2 VAL A 49 2.602 -4.377 10.792 1.00 0.00 C ATOM 0 H VAL A 49 1.339 -2.010 10.677 1.00 0.00 H new ATOM 0 HA VAL A 49 0.513 -4.109 8.977 1.00 0.00 H new ATOM 0 HB VAL A 49 0.863 -4.092 11.998 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.240 -6.522 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.389 -6.042 11.208 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.874 -6.385 10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.130 -4.963 11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.854 -4.750 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.898 -3.331 10.873 1.00 0.00 H new ATOM 826 N ARG A 50 -1.915 -4.073 9.224 1.00 0.00 N ATOM 827 CA ARG A 50 -3.336 -4.249 9.330 1.00 0.00 C ATOM 828 C ARG A 50 -3.649 -5.729 9.258 1.00 0.00 C ATOM 829 O ARG A 50 -3.044 -6.457 8.458 1.00 0.00 O ATOM 830 CB ARG A 50 -4.065 -3.467 8.224 1.00 0.00 C ATOM 831 CG ARG A 50 -3.477 -3.636 6.828 1.00 0.00 C ATOM 832 CD ARG A 50 -4.203 -2.772 5.813 1.00 0.00 C ATOM 833 NE ARG A 50 -5.592 -3.210 5.599 1.00 0.00 N ATOM 834 CZ ARG A 50 -6.586 -2.423 5.152 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.369 -1.128 4.926 1.00 0.00 N ATOM 836 NH2 ARG A 50 -7.798 -2.923 4.949 1.00 0.00 N ATOM 0 H ARG A 50 -1.548 -4.224 8.284 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.687 -3.856 10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.109 -3.781 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.056 -2.408 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.420 -3.372 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.540 -4.682 6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.199 -1.736 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.666 -2.799 4.865 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.817 -4.183 5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.445 -0.729 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.127 -0.535 4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.980 -3.910 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.548 -2.321 4.610 1.00 0.00 H new ATOM 850 N GLY A 51 -4.533 -6.181 10.100 1.00 0.00 N ATOM 851 CA GLY A 51 -4.888 -7.568 10.116 1.00 0.00 C ATOM 852 C GLY A 51 -5.278 -8.003 11.497 1.00 0.00 C ATOM 853 O GLY A 51 -5.442 -7.157 12.393 1.00 0.00 O ATOM 0 H GLY A 51 -5.022 -5.606 10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.715 -7.744 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.048 -8.167 9.765 1.00 0.00 H new ATOM 857 N LYS A 52 -5.419 -9.289 11.690 1.00 0.00 N ATOM 858 CA LYS A 52 -5.796 -9.817 12.975 1.00 0.00 C ATOM 859 C LYS A 52 -4.569 -10.040 13.869 1.00 0.00 C ATOM 860 O LYS A 52 -3.984 -11.143 13.858 1.00 0.00 O ATOM 861 CB LYS A 52 -6.626 -11.110 12.838 1.00 0.00 C ATOM 862 CG LYS A 52 -6.024 -12.176 11.927 1.00 0.00 C ATOM 863 CD LYS A 52 -6.393 -13.579 12.397 1.00 0.00 C ATOM 864 CE LYS A 52 -5.382 -14.160 13.402 1.00 0.00 C ATOM 865 NZ LYS A 52 -5.316 -13.409 14.681 1.00 0.00 N ATOM 866 OXT LYS A 52 -4.198 -9.130 14.616 1.00 0.00 O ATOM 0 H LYS A 52 -5.277 -9.995 10.967 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.429 -9.072 13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.766 -11.540 13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.615 -10.849 12.461 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.377 -12.027 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.939 -12.070 11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.381 -13.554 12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.460 -14.240 11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.646 -15.196 13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.393 -14.170 12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.763 -13.952 15.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.860 -12.488 14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.278 -13.260 15.046 1.00 0.00 H new TER 880 LYS A 52