USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 45 MET CE :methyl -177:sc= -0.594 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.698 K(o=-1.7,f=-3) USER MOD Set 1.3: A 80 MET CE :methyl 144:sc= -0.372 (180deg=-0.863) USER MOD Set 2.1: A 38 THR OG1 : rot 140:sc= -0.0417 USER MOD Set 2.2: A 58 GLN : amide:sc= -0.491 X(o=-0.53,f=-0.25) USER MOD Set 3.1: A 35 CYS SG : rot 31:sc= -0.8 USER MOD Set 3.2: A 69 SER OG : rot -90:sc= 1.3 USER MOD Set 3.3: A 71 THR OG1 : rot -54:sc= 0.593 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.00385) USER MOD Single : A 11 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= 0.0611 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.24) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -156:sc= -0.0698 (180deg=-0.251) USER MOD Single : A 51 ASN : amide:sc= -0.129 K(o=-0.13,f=-6.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 60 MET CE :methyl -141:sc= -0.177 (180deg=-2.38!) USER MOD Single : A 81 MET CE :methyl 154:sc= -0.641 (180deg=-1.33) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.821 8.679 0.652 1.00 0.00 N ATOM 66 CA TYR A 5 -5.602 7.622 -0.344 1.00 0.00 C ATOM 67 C TYR A 5 -6.914 7.273 -1.054 1.00 0.00 C ATOM 68 O TYR A 5 -6.932 7.022 -2.262 1.00 0.00 O ATOM 69 CB TYR A 5 -5.039 6.350 0.311 1.00 0.00 C ATOM 70 CG TYR A 5 -3.762 6.672 1.059 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.564 6.878 0.359 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.778 6.767 2.456 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.388 7.179 1.059 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.605 7.066 3.153 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.410 7.273 2.457 1.00 0.00 C ATOM 76 OH TYR A 5 -0.253 7.567 3.148 1.00 0.00 O ATOM 0 HA TYR A 5 -4.880 8.001 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.774 5.928 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.843 5.595 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.548 6.805 -0.718 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.700 6.609 2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.465 7.338 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.621 7.137 4.231 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.444 7.595 4.109 1.00 0.00 H new ATOM 86 N LYS A 6 -8.009 7.267 -0.287 1.00 0.00 N ATOM 87 CA LYS A 6 -9.331 6.953 -0.839 1.00 0.00 C ATOM 88 C LYS A 6 -9.980 8.194 -1.461 1.00 0.00 C ATOM 89 O LYS A 6 -10.744 8.089 -2.421 1.00 0.00 O ATOM 90 CB LYS A 6 -10.255 6.409 0.254 1.00 0.00 C ATOM 91 CG LYS A 6 -9.949 4.928 0.496 1.00 0.00 C ATOM 92 CD LYS A 6 -10.080 4.611 1.990 1.00 0.00 C ATOM 93 CE LYS A 6 -8.796 5.019 2.720 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.764 3.953 2.561 1.00 0.00 N ATOM 0 H LYS A 6 -8.007 7.475 0.712 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.189 6.198 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.117 6.974 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.297 6.532 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.635 4.306 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.942 4.694 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.933 5.143 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.267 3.546 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.423 5.962 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.004 5.182 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.818 4.363 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.923 3.207 3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.831 3.545 1.607 1.00 0.00 H new ATOM 108 N ALA A 7 -9.676 9.368 -0.901 1.00 0.00 N ATOM 109 CA ALA A 7 -10.241 10.620 -1.407 1.00 0.00 C ATOM 110 C ALA A 7 -9.759 10.908 -2.832 1.00 0.00 C ATOM 111 O ALA A 7 -10.514 11.428 -3.653 1.00 0.00 O ATOM 112 CB ALA A 7 -9.846 11.788 -0.502 1.00 0.00 C ATOM 0 H ALA A 7 -9.048 9.477 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.326 10.511 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.274 12.711 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.222 11.611 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.760 11.875 -0.474 1.00 0.00 H new ATOM 118 N ALA A 8 -8.498 10.564 -3.118 1.00 0.00 N ATOM 119 CA ALA A 8 -7.930 10.796 -4.449 1.00 0.00 C ATOM 120 C ALA A 8 -8.521 9.830 -5.472 1.00 0.00 C ATOM 121 O ALA A 8 -8.866 10.229 -6.583 1.00 0.00 O ATOM 122 CB ALA A 8 -6.413 10.619 -4.427 1.00 0.00 C ATOM 0 H ALA A 8 -7.858 10.129 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.176 11.819 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.012 10.796 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.974 11.331 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.170 9.604 -4.112 1.00 0.00 H new ATOM 128 N VAL A 9 -8.639 8.557 -5.085 1.00 0.00 N ATOM 129 CA VAL A 9 -9.199 7.543 -5.981 1.00 0.00 C ATOM 130 C VAL A 9 -10.697 7.796 -6.224 1.00 0.00 C ATOM 131 O VAL A 9 -11.257 7.346 -7.225 1.00 0.00 O ATOM 132 CB VAL A 9 -8.982 6.135 -5.400 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.893 5.909 -4.191 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.282 5.080 -6.470 1.00 0.00 C ATOM 0 H VAL A 9 -8.358 8.207 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.681 7.610 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.943 6.047 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.727 4.908 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.667 6.648 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.935 6.009 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.127 4.085 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.317 5.179 -6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.616 5.225 -7.321 1.00 0.00 H new ATOM 144 N GLU A 10 -11.333 8.532 -5.303 1.00 0.00 N ATOM 145 CA GLU A 10 -12.755 8.851 -5.433 1.00 0.00 C ATOM 146 C GLU A 10 -12.975 10.046 -6.369 1.00 0.00 C ATOM 147 O GLU A 10 -14.067 10.218 -6.914 1.00 0.00 O ATOM 148 CB GLU A 10 -13.363 9.172 -4.064 1.00 0.00 C ATOM 149 CG GLU A 10 -13.693 7.869 -3.329 1.00 0.00 C ATOM 150 CD GLU A 10 -14.150 8.184 -1.907 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.294 8.361 -1.054 1.00 0.00 O ATOM 152 OE2 GLU A 10 -15.348 8.243 -1.689 1.00 0.00 O ATOM 0 H GLU A 10 -10.888 8.913 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.246 7.975 -5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.664 9.766 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.266 9.770 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.475 7.328 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.817 7.221 -3.305 1.00 0.00 H new ATOM 159 N GLN A 11 -11.933 10.871 -6.556 1.00 0.00 N ATOM 160 CA GLN A 11 -12.047 12.041 -7.435 1.00 0.00 C ATOM 161 C GLN A 11 -10.844 12.137 -8.382 1.00 0.00 C ATOM 162 O GLN A 11 -10.403 13.232 -8.741 1.00 0.00 O ATOM 163 CB GLN A 11 -12.160 13.332 -6.607 1.00 0.00 C ATOM 164 CG GLN A 11 -10.882 13.545 -5.784 1.00 0.00 C ATOM 165 CD GLN A 11 -11.232 14.168 -4.431 1.00 0.00 C ATOM 166 OE1 GLN A 11 -12.258 13.843 -3.833 1.00 0.00 O ATOM 167 NE2 GLN A 11 -10.425 15.050 -3.905 1.00 0.00 N ATOM 0 H GLN A 11 -11.019 10.752 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.951 11.921 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.323 14.184 -7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.023 13.274 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.372 12.593 -5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.194 14.194 -6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.574 15.321 -4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.645 15.468 -3.001 1.00 0.00 H new ATOM 176 N LEU A 12 -10.324 10.975 -8.788 1.00 0.00 N ATOM 177 CA LEU A 12 -9.173 10.938 -9.703 1.00 0.00 C ATOM 178 C LEU A 12 -9.603 11.289 -11.129 1.00 0.00 C ATOM 179 O LEU A 12 -10.793 11.433 -11.418 1.00 0.00 O ATOM 180 CB LEU A 12 -8.493 9.556 -9.708 1.00 0.00 C ATOM 181 CG LEU A 12 -9.408 8.348 -9.465 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.582 8.372 -10.447 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.607 7.058 -9.660 1.00 0.00 C ATOM 0 H LEU A 12 -10.673 10.059 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.458 11.677 -9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.997 9.422 -10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.715 9.555 -8.945 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.795 8.392 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.225 7.511 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.155 9.289 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.203 8.334 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.254 6.198 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.218 7.022 -10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.777 7.035 -8.953 1.00 0.00 H new ATOM 195 N THR A 13 -8.615 11.426 -12.016 1.00 0.00 N ATOM 196 CA THR A 13 -8.888 11.765 -13.415 1.00 0.00 C ATOM 197 C THR A 13 -8.952 10.509 -14.280 1.00 0.00 C ATOM 198 O THR A 13 -8.517 9.428 -13.874 1.00 0.00 O ATOM 199 CB THR A 13 -7.797 12.686 -13.986 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.605 12.561 -13.219 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.278 14.136 -13.958 1.00 0.00 C ATOM 0 H THR A 13 -7.626 11.309 -11.794 1.00 0.00 H new ATOM 0 HA THR A 13 -9.850 12.278 -13.434 1.00 0.00 H new ATOM 0 HB THR A 13 -7.590 12.395 -15.016 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.914 13.149 -13.590 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.502 14.785 -14.364 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.182 14.231 -14.560 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.494 14.428 -12.930 1.00 0.00 H new ATOM 209 N ASP A 14 -9.484 10.681 -15.492 1.00 0.00 N ATOM 210 CA ASP A 14 -9.588 9.575 -16.444 1.00 0.00 C ATOM 211 C ASP A 14 -8.193 9.150 -16.908 1.00 0.00 C ATOM 212 O ASP A 14 -7.958 7.978 -17.207 1.00 0.00 O ATOM 213 CB ASP A 14 -10.417 9.995 -17.662 1.00 0.00 C ATOM 214 CG ASP A 14 -10.789 8.766 -18.491 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.458 7.892 -17.961 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.403 8.720 -19.647 1.00 0.00 O ATOM 0 H ASP A 14 -9.847 11.570 -15.835 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.079 8.739 -15.947 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.320 10.511 -17.337 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.850 10.698 -18.273 1.00 0.00 H new ATOM 221 N GLU A 15 -7.268 10.122 -16.951 1.00 0.00 N ATOM 222 CA GLU A 15 -5.890 9.849 -17.361 1.00 0.00 C ATOM 223 C GLU A 15 -5.251 8.812 -16.436 1.00 0.00 C ATOM 224 O GLU A 15 -4.461 7.982 -16.879 1.00 0.00 O ATOM 225 CB GLU A 15 -5.049 11.130 -17.330 1.00 0.00 C ATOM 226 CG GLU A 15 -5.375 11.994 -18.552 1.00 0.00 C ATOM 227 CD GLU A 15 -4.775 11.360 -19.806 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.588 11.537 -20.028 1.00 0.00 O ATOM 229 OE2 GLU A 15 -5.513 10.707 -20.527 1.00 0.00 O ATOM 0 H GLU A 15 -7.452 11.095 -16.708 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.918 9.462 -18.379 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.251 11.687 -16.415 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.988 10.880 -17.323 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.455 12.091 -18.663 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.977 12.999 -18.415 1.00 0.00 H new ATOM 236 N GLN A 16 -5.616 8.860 -15.148 1.00 0.00 N ATOM 237 CA GLN A 16 -5.084 7.905 -14.169 1.00 0.00 C ATOM 238 C GLN A 16 -5.681 6.516 -14.411 1.00 0.00 C ATOM 239 O GLN A 16 -4.984 5.503 -14.323 1.00 0.00 O ATOM 240 CB GLN A 16 -5.420 8.348 -12.741 1.00 0.00 C ATOM 241 CG GLN A 16 -4.203 9.032 -12.116 1.00 0.00 C ATOM 242 CD GLN A 16 -4.223 8.827 -10.603 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.647 7.864 -10.094 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.858 9.682 -9.847 1.00 0.00 N ATOM 0 H GLN A 16 -6.270 9.542 -14.763 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.001 7.869 -14.288 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.269 9.032 -12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.713 7.486 -12.142 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.286 8.621 -12.537 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.211 10.097 -12.349 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.335 10.479 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.877 9.552 -8.835 1.00 0.00 H new ATOM 253 N LYS A 17 -6.982 6.491 -14.723 1.00 0.00 N ATOM 254 CA LYS A 17 -7.688 5.233 -14.990 1.00 0.00 C ATOM 255 C LYS A 17 -7.187 4.568 -16.278 1.00 0.00 C ATOM 256 O LYS A 17 -7.447 3.388 -16.509 1.00 0.00 O ATOM 257 CB LYS A 17 -9.197 5.476 -15.123 1.00 0.00 C ATOM 258 CG LYS A 17 -9.748 6.100 -13.836 1.00 0.00 C ATOM 259 CD LYS A 17 -9.539 5.142 -12.661 1.00 0.00 C ATOM 260 CE LYS A 17 -10.896 4.640 -12.157 1.00 0.00 C ATOM 261 NZ LYS A 17 -10.721 3.331 -11.464 1.00 0.00 N ATOM 0 H LYS A 17 -7.565 7.325 -14.797 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.489 4.573 -14.146 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.393 6.135 -15.969 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.708 4.535 -15.327 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.247 7.047 -13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.809 6.319 -13.953 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.921 4.299 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.006 5.649 -11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.333 5.368 -11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.588 4.531 -12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.585 2.763 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.917 2.821 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.538 3.495 -10.453 1.00 0.00 H new ATOM 275 N ASN A 18 -6.479 5.331 -17.119 1.00 0.00 N ATOM 276 CA ASN A 18 -5.959 4.793 -18.378 1.00 0.00 C ATOM 277 C ASN A 18 -4.438 4.613 -18.322 1.00 0.00 C ATOM 278 O ASN A 18 -3.889 3.730 -18.983 1.00 0.00 O ATOM 279 CB ASN A 18 -6.307 5.728 -19.541 1.00 0.00 C ATOM 280 CG ASN A 18 -7.751 5.490 -19.975 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.142 4.357 -20.264 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.575 6.498 -20.043 1.00 0.00 N ATOM 0 H ASN A 18 -6.256 6.312 -16.952 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.423 3.819 -18.533 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.174 6.767 -19.238 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.631 5.551 -20.378 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.541 6.348 -20.335 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.254 7.436 -19.804 1.00 0.00 H new ATOM 289 N GLU A 19 -3.766 5.460 -17.532 1.00 0.00 N ATOM 290 CA GLU A 19 -2.307 5.389 -17.399 1.00 0.00 C ATOM 291 C GLU A 19 -1.880 4.014 -16.885 1.00 0.00 C ATOM 292 O GLU A 19 -1.059 3.334 -17.504 1.00 0.00 O ATOM 293 CB GLU A 19 -1.802 6.464 -16.428 1.00 0.00 C ATOM 294 CG GLU A 19 -0.285 6.612 -16.565 1.00 0.00 C ATOM 295 CD GLU A 19 0.203 7.733 -15.651 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.515 7.445 -14.507 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.255 8.864 -16.108 1.00 0.00 O ATOM 0 H GLU A 19 -4.206 6.196 -16.980 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.874 5.558 -18.385 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.290 7.416 -16.638 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.060 6.193 -15.404 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.207 5.675 -16.304 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.023 6.832 -17.600 1.00 0.00 H new ATOM 304 N PHE A 20 -2.448 3.616 -15.746 1.00 0.00 N ATOM 305 CA PHE A 20 -2.125 2.320 -15.150 1.00 0.00 C ATOM 306 C PHE A 20 -2.845 1.186 -15.879 1.00 0.00 C ATOM 307 O PHE A 20 -2.285 0.108 -16.059 1.00 0.00 O ATOM 308 CB PHE A 20 -2.529 2.289 -13.674 1.00 0.00 C ATOM 309 CG PHE A 20 -1.447 2.921 -12.829 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.466 4.297 -12.581 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.430 2.127 -12.287 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.468 4.879 -11.791 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.568 2.706 -11.499 1.00 0.00 C ATOM 314 CZ PHE A 20 0.549 4.084 -11.249 1.00 0.00 C ATOM 0 H PHE A 20 -3.128 4.167 -15.222 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.048 2.180 -15.240 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.469 2.823 -13.534 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.696 1.260 -13.356 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.250 4.910 -12.999 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.417 1.064 -12.478 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.482 5.942 -11.599 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.353 2.092 -11.083 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.318 4.533 -10.638 1.00 0.00 H new ATOM 324 N LYS A 21 -4.096 1.437 -16.291 1.00 0.00 N ATOM 325 CA LYS A 21 -4.886 0.417 -16.993 1.00 0.00 C ATOM 326 C LYS A 21 -4.163 -0.082 -18.249 1.00 0.00 C ATOM 327 O LYS A 21 -4.296 -1.248 -18.621 1.00 0.00 O ATOM 328 CB LYS A 21 -6.259 0.978 -17.378 1.00 0.00 C ATOM 329 CG LYS A 21 -7.089 -0.094 -18.095 1.00 0.00 C ATOM 330 CD LYS A 21 -7.300 0.312 -19.557 1.00 0.00 C ATOM 331 CE LYS A 21 -8.638 -0.244 -20.056 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.423 -1.575 -20.694 1.00 0.00 N ATOM 0 H LYS A 21 -4.577 2.326 -16.152 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.016 -0.425 -16.314 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.784 1.318 -16.485 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.136 1.846 -18.025 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.580 -1.057 -18.044 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.052 -0.216 -17.598 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.289 1.398 -19.649 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.484 -0.068 -20.172 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.337 -0.337 -19.225 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.085 0.445 -20.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.333 -1.949 -21.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.771 -1.473 -21.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.015 -2.232 -19.998 1.00 0.00 H new ATOM 346 N ALA A 22 -3.389 0.802 -18.890 1.00 0.00 N ATOM 347 CA ALA A 22 -2.642 0.421 -20.092 1.00 0.00 C ATOM 348 C ALA A 22 -1.695 -0.734 -19.772 1.00 0.00 C ATOM 349 O ALA A 22 -1.757 -1.797 -20.395 1.00 0.00 O ATOM 350 CB ALA A 22 -1.833 1.608 -20.623 1.00 0.00 C ATOM 0 H ALA A 22 -3.265 1.772 -18.601 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.355 0.109 -20.855 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.285 1.305 -21.515 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.508 2.426 -20.872 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.128 1.939 -19.860 1.00 0.00 H new ATOM 356 N ALA A 23 -0.835 -0.520 -18.770 1.00 0.00 N ATOM 357 CA ALA A 23 0.107 -1.553 -18.339 1.00 0.00 C ATOM 358 C ALA A 23 -0.654 -2.711 -17.691 1.00 0.00 C ATOM 359 O ALA A 23 -0.290 -3.875 -17.844 1.00 0.00 O ATOM 360 CB ALA A 23 1.104 -0.982 -17.325 1.00 0.00 C ATOM 0 H ALA A 23 -0.773 0.354 -18.247 1.00 0.00 H new ATOM 0 HA ALA A 23 0.650 -1.909 -19.214 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.797 -1.765 -17.016 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.661 -0.165 -17.783 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.564 -0.610 -16.454 1.00 0.00 H new ATOM 366 N PHE A 24 -1.726 -2.371 -16.974 1.00 0.00 N ATOM 367 CA PHE A 24 -2.554 -3.375 -16.307 1.00 0.00 C ATOM 368 C PHE A 24 -3.114 -4.380 -17.319 1.00 0.00 C ATOM 369 O PHE A 24 -3.141 -5.581 -17.058 1.00 0.00 O ATOM 370 CB PHE A 24 -3.722 -2.693 -15.578 1.00 0.00 C ATOM 371 CG PHE A 24 -4.349 -3.647 -14.586 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.199 -4.665 -15.032 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.082 -3.511 -13.218 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.781 -5.545 -14.114 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.664 -4.391 -12.301 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.513 -5.407 -12.750 1.00 0.00 C ATOM 0 H PHE A 24 -2.040 -1.410 -16.841 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.929 -3.906 -15.589 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.366 -1.802 -15.061 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.469 -2.366 -16.301 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.406 -4.771 -16.087 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.426 -2.726 -12.871 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.437 -6.330 -14.459 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.458 -4.286 -11.246 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.962 -6.086 -12.041 1.00 0.00 H new ATOM 386 N ASP A 25 -3.569 -3.873 -18.471 1.00 0.00 N ATOM 387 CA ASP A 25 -4.145 -4.732 -19.512 1.00 0.00 C ATOM 388 C ASP A 25 -3.101 -5.680 -20.113 1.00 0.00 C ATOM 389 O ASP A 25 -3.370 -6.869 -20.294 1.00 0.00 O ATOM 390 CB ASP A 25 -4.747 -3.881 -20.637 1.00 0.00 C ATOM 391 CG ASP A 25 -5.868 -4.658 -21.323 1.00 0.00 C ATOM 392 OD1 ASP A 25 -5.566 -5.430 -22.219 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.011 -4.469 -20.943 1.00 0.00 O ATOM 0 H ASP A 25 -3.550 -2.880 -18.705 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.923 -5.328 -19.036 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.134 -2.946 -20.232 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.976 -3.620 -21.362 1.00 0.00 H new ATOM 398 N ILE A 26 -1.921 -5.143 -20.437 1.00 0.00 N ATOM 399 CA ILE A 26 -0.856 -5.963 -21.038 1.00 0.00 C ATOM 400 C ILE A 26 -0.342 -7.026 -20.058 1.00 0.00 C ATOM 401 O ILE A 26 -0.054 -8.155 -20.457 1.00 0.00 O ATOM 402 CB ILE A 26 0.319 -5.090 -21.517 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.846 -4.231 -20.361 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.158 -4.177 -22.651 1.00 0.00 C ATOM 405 CD1 ILE A 26 2.093 -3.464 -20.803 1.00 0.00 C ATOM 0 H ILE A 26 -1.678 -4.162 -20.298 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.294 -6.467 -21.899 1.00 0.00 H new ATOM 0 HB ILE A 26 1.121 -5.737 -21.873 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.075 -3.532 -20.036 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.083 -4.864 -19.506 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.671 -3.557 -22.993 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.522 -4.785 -23.479 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.963 -3.538 -22.289 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.459 -2.857 -19.975 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.866 -4.170 -21.105 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.843 -2.817 -21.644 1.00 0.00 H new ATOM 417 N PHE A 27 -0.233 -6.660 -18.775 1.00 0.00 N ATOM 418 CA PHE A 27 0.245 -7.606 -17.757 1.00 0.00 C ATOM 419 C PHE A 27 -0.861 -8.591 -17.358 1.00 0.00 C ATOM 420 O PHE A 27 -0.579 -9.744 -17.024 1.00 0.00 O ATOM 421 CB PHE A 27 0.747 -6.863 -16.509 1.00 0.00 C ATOM 422 CG PHE A 27 1.998 -6.080 -16.854 1.00 0.00 C ATOM 423 CD1 PHE A 27 3.097 -6.725 -17.438 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.054 -4.705 -16.598 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.246 -5.995 -17.764 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.203 -3.976 -16.927 1.00 0.00 C ATOM 427 CZ PHE A 27 4.299 -4.621 -17.509 1.00 0.00 C ATOM 0 H PHE A 27 -0.465 -5.732 -18.420 1.00 0.00 H new ATOM 0 HA PHE A 27 1.073 -8.164 -18.194 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.026 -6.189 -16.139 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.959 -7.574 -15.711 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.057 -7.786 -17.637 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.210 -4.206 -16.146 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.092 -6.493 -18.213 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.243 -2.915 -16.731 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.186 -4.058 -17.761 1.00 0.00 H new ATOM 437 N ILE A 28 -2.119 -8.133 -17.409 1.00 0.00 N ATOM 438 CA ILE A 28 -3.259 -8.990 -17.065 1.00 0.00 C ATOM 439 C ILE A 28 -3.936 -9.504 -18.355 1.00 0.00 C ATOM 440 O ILE A 28 -5.155 -9.667 -18.436 1.00 0.00 O ATOM 441 CB ILE A 28 -4.243 -8.208 -16.164 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.895 -9.166 -15.155 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.320 -7.482 -16.988 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.911 -10.074 -15.849 1.00 0.00 C ATOM 0 H ILE A 28 -2.371 -7.183 -17.682 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.917 -9.860 -16.505 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.677 -7.446 -15.629 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.128 -9.772 -14.674 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.388 -8.594 -14.369 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.991 -6.945 -16.317 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.843 -6.775 -17.667 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.890 -8.211 -17.564 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.360 -10.744 -15.116 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.689 -9.465 -16.309 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.409 -10.661 -16.618 1.00 0.00 H new ATOM 456 N GLN A 29 -3.108 -9.772 -19.364 1.00 0.00 N ATOM 457 CA GLN A 29 -3.598 -10.271 -20.647 1.00 0.00 C ATOM 458 C GLN A 29 -3.906 -11.765 -20.557 1.00 0.00 C ATOM 459 O GLN A 29 -5.007 -12.205 -20.891 1.00 0.00 O ATOM 460 CB GLN A 29 -2.548 -10.035 -21.738 1.00 0.00 C ATOM 461 CG GLN A 29 -3.149 -10.342 -23.111 1.00 0.00 C ATOM 462 CD GLN A 29 -4.091 -9.213 -23.523 1.00 0.00 C ATOM 463 OE1 GLN A 29 -5.306 -9.404 -23.586 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.600 -8.037 -23.809 1.00 0.00 N ATOM 0 H GLN A 29 -2.096 -9.652 -19.317 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.512 -9.733 -20.898 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.202 -9.002 -21.705 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.678 -10.668 -21.562 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.355 -10.454 -23.850 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.691 -11.287 -23.079 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.594 -7.878 -23.757 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.223 -7.278 -24.084 1.00 0.00 H new ATOM 473 N ASP A 30 -2.916 -12.535 -20.099 1.00 0.00 N ATOM 474 CA ASP A 30 -3.078 -13.985 -19.963 1.00 0.00 C ATOM 475 C ASP A 30 -3.729 -14.360 -18.620 1.00 0.00 C ATOM 476 O ASP A 30 -3.959 -15.542 -18.351 1.00 0.00 O ATOM 477 CB ASP A 30 -1.718 -14.683 -20.071 1.00 0.00 C ATOM 478 CG ASP A 30 -1.207 -14.592 -21.508 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.545 -13.617 -21.821 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.487 -15.500 -22.274 1.00 0.00 O ATOM 0 H ASP A 30 -2.001 -12.183 -19.818 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.732 -14.315 -20.770 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.004 -14.218 -19.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.809 -15.727 -19.772 1.00 0.00 H new ATOM 485 N ALA A 31 -4.037 -13.356 -17.785 1.00 0.00 N ATOM 486 CA ALA A 31 -4.669 -13.618 -16.492 1.00 0.00 C ATOM 487 C ALA A 31 -6.179 -13.408 -16.588 1.00 0.00 C ATOM 488 O ALA A 31 -6.662 -12.634 -17.418 1.00 0.00 O ATOM 489 CB ALA A 31 -4.103 -12.692 -15.411 1.00 0.00 C ATOM 0 H ALA A 31 -3.860 -12.371 -17.981 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.459 -14.653 -16.221 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.588 -12.905 -14.459 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.030 -12.857 -15.316 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.288 -11.654 -15.688 1.00 0.00 H new ATOM 495 N GLU A 32 -6.914 -14.110 -15.726 1.00 0.00 N ATOM 496 CA GLU A 32 -8.376 -14.004 -15.709 1.00 0.00 C ATOM 497 C GLU A 32 -8.882 -13.814 -14.274 1.00 0.00 C ATOM 498 O GLU A 32 -9.896 -14.391 -13.872 1.00 0.00 O ATOM 499 CB GLU A 32 -9.008 -15.264 -16.315 1.00 0.00 C ATOM 500 CG GLU A 32 -8.751 -15.293 -17.825 1.00 0.00 C ATOM 501 CD GLU A 32 -9.424 -16.520 -18.435 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.779 -17.555 -18.501 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.573 -16.407 -18.829 1.00 0.00 O ATOM 0 H GLU A 32 -6.527 -14.753 -15.035 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.664 -13.138 -16.305 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.588 -16.155 -15.847 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.080 -15.276 -16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.139 -14.385 -18.288 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.679 -15.318 -18.021 1.00 0.00 H new ATOM 510 N ASP A 33 -8.157 -12.993 -13.510 1.00 0.00 N ATOM 511 CA ASP A 33 -8.523 -12.721 -12.116 1.00 0.00 C ATOM 512 C ASP A 33 -8.832 -11.235 -11.911 1.00 0.00 C ATOM 513 O ASP A 33 -9.749 -10.879 -11.167 1.00 0.00 O ATOM 514 CB ASP A 33 -7.383 -13.127 -11.174 1.00 0.00 C ATOM 515 CG ASP A 33 -7.084 -14.615 -11.338 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.747 -15.408 -10.689 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.197 -14.941 -12.111 1.00 0.00 O ATOM 0 H ASP A 33 -7.319 -12.508 -13.829 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.414 -13.307 -11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.491 -12.541 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.658 -12.913 -10.141 1.00 0.00 H new ATOM 522 N GLY A 34 -8.051 -10.373 -12.571 1.00 0.00 N ATOM 523 CA GLY A 34 -8.238 -8.925 -12.455 1.00 0.00 C ATOM 524 C GLY A 34 -7.122 -8.302 -11.617 1.00 0.00 C ATOM 525 O GLY A 34 -7.364 -7.403 -10.810 1.00 0.00 O ATOM 0 H GLY A 34 -7.288 -10.652 -13.187 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.250 -8.474 -13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.204 -8.714 -11.998 1.00 0.00 H new ATOM 529 N CYS A 35 -5.896 -8.797 -11.819 1.00 0.00 N ATOM 530 CA CYS A 35 -4.735 -8.297 -11.082 1.00 0.00 C ATOM 531 C CYS A 35 -3.445 -8.658 -11.817 1.00 0.00 C ATOM 532 O CYS A 35 -3.345 -9.719 -12.439 1.00 0.00 O ATOM 533 CB CYS A 35 -4.694 -8.899 -9.675 1.00 0.00 C ATOM 534 SG CYS A 35 -4.875 -10.699 -9.773 1.00 0.00 S ATOM 0 H CYS A 35 -5.685 -9.541 -12.484 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.822 -7.213 -11.009 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.753 -8.645 -9.188 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.493 -8.477 -9.065 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.368 -11.126 -10.892 1.00 0.00 H new ATOM 540 N ILE A 36 -2.454 -7.769 -11.729 1.00 0.00 N ATOM 541 CA ILE A 36 -1.165 -8.011 -12.384 1.00 0.00 C ATOM 542 C ILE A 36 -0.253 -8.815 -11.456 1.00 0.00 C ATOM 543 O ILE A 36 -0.587 -9.054 -10.294 1.00 0.00 O ATOM 544 CB ILE A 36 -0.473 -6.690 -12.772 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.003 -5.949 -11.513 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.451 -5.800 -13.546 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.522 -6.102 -11.371 1.00 0.00 C ATOM 0 H ILE A 36 -2.515 -6.888 -11.219 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.354 -8.576 -13.297 1.00 0.00 H new ATOM 0 HB ILE A 36 0.389 -6.918 -13.399 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.262 -4.894 -11.578 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.497 -6.350 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.957 -4.867 -13.818 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.775 -6.316 -14.450 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.318 -5.583 -12.922 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.859 -5.576 -10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.775 -7.159 -11.287 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.014 -5.680 -12.247 1.00 0.00 H new ATOM 559 N SER A 37 0.901 -9.229 -11.979 1.00 0.00 N ATOM 560 CA SER A 37 1.848 -10.004 -11.181 1.00 0.00 C ATOM 561 C SER A 37 2.849 -9.077 -10.493 1.00 0.00 C ATOM 562 O SER A 37 3.687 -8.454 -11.149 1.00 0.00 O ATOM 563 CB SER A 37 2.605 -11.005 -12.061 1.00 0.00 C ATOM 564 OG SER A 37 2.745 -12.236 -11.360 1.00 0.00 O ATOM 0 H SER A 37 1.199 -9.044 -12.937 1.00 0.00 H new ATOM 0 HA SER A 37 1.283 -10.550 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.067 -11.165 -12.995 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.586 -10.608 -12.322 1.00 0.00 H new ATOM 0 HG SER A 37 3.227 -12.879 -11.921 1.00 0.00 H new ATOM 570 N THR A 38 2.746 -8.995 -9.162 1.00 0.00 N ATOM 571 CA THR A 38 3.647 -8.145 -8.368 1.00 0.00 C ATOM 572 C THR A 38 5.109 -8.445 -8.704 1.00 0.00 C ATOM 573 O THR A 38 5.920 -7.532 -8.866 1.00 0.00 O ATOM 574 CB THR A 38 3.427 -8.376 -6.867 1.00 0.00 C ATOM 575 OG1 THR A 38 3.626 -9.749 -6.559 1.00 0.00 O ATOM 576 CG2 THR A 38 2.005 -7.966 -6.485 1.00 0.00 C ATOM 0 H THR A 38 2.053 -9.503 -8.612 1.00 0.00 H new ATOM 0 HA THR A 38 3.423 -7.107 -8.614 1.00 0.00 H new ATOM 0 HB THR A 38 4.139 -7.773 -6.304 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.105 -9.827 -5.708 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.853 -8.132 -5.418 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.857 -6.910 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.290 -8.563 -7.051 1.00 0.00 H new ATOM 584 N LYS A 39 5.434 -9.738 -8.817 1.00 0.00 N ATOM 585 CA LYS A 39 6.802 -10.154 -9.147 1.00 0.00 C ATOM 586 C LYS A 39 7.218 -9.639 -10.531 1.00 0.00 C ATOM 587 O LYS A 39 8.404 -9.426 -10.791 1.00 0.00 O ATOM 588 CB LYS A 39 6.932 -11.685 -9.113 1.00 0.00 C ATOM 589 CG LYS A 39 6.034 -12.320 -10.184 1.00 0.00 C ATOM 590 CD LYS A 39 5.399 -13.601 -9.633 1.00 0.00 C ATOM 591 CE LYS A 39 6.420 -14.741 -9.677 1.00 0.00 C ATOM 592 NZ LYS A 39 5.714 -16.050 -9.555 1.00 0.00 N ATOM 0 H LYS A 39 4.777 -10.507 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 39 7.463 -9.722 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.970 -11.972 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.654 -12.059 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.257 -11.617 -10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.619 -12.547 -11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.062 -13.440 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.519 -13.864 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.981 -14.705 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.141 -14.628 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.409 -16.823 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.198 -16.083 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.043 -16.157 -10.342 1.00 0.00 H new ATOM 606 N GLU A 40 6.229 -9.430 -11.413 1.00 0.00 N ATOM 607 CA GLU A 40 6.504 -8.928 -12.762 1.00 0.00 C ATOM 608 C GLU A 40 6.255 -7.414 -12.850 1.00 0.00 C ATOM 609 O GLU A 40 6.140 -6.860 -13.947 1.00 0.00 O ATOM 610 CB GLU A 40 5.614 -9.638 -13.787 1.00 0.00 C ATOM 611 CG GLU A 40 5.948 -11.134 -13.812 1.00 0.00 C ATOM 612 CD GLU A 40 5.246 -11.796 -14.993 1.00 0.00 C ATOM 613 OE1 GLU A 40 4.120 -12.233 -14.820 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.846 -11.858 -16.055 1.00 0.00 O ATOM 0 H GLU A 40 5.243 -9.600 -11.217 1.00 0.00 H new ATOM 0 HA GLU A 40 7.553 -9.130 -12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.564 -9.494 -13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.765 -9.205 -14.776 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.026 -11.275 -13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.633 -11.603 -12.880 1.00 0.00 H new ATOM 621 N LEU A 41 6.183 -6.745 -11.687 1.00 0.00 N ATOM 622 CA LEU A 41 5.960 -5.298 -11.662 1.00 0.00 C ATOM 623 C LEU A 41 7.203 -4.536 -12.141 1.00 0.00 C ATOM 624 O LEU A 41 7.128 -3.339 -12.422 1.00 0.00 O ATOM 625 CB LEU A 41 5.593 -4.825 -10.253 1.00 0.00 C ATOM 626 CG LEU A 41 4.864 -3.475 -10.195 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.769 -3.520 -9.128 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.867 -2.368 -9.855 1.00 0.00 C ATOM 0 H LEU A 41 6.275 -7.178 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 41 5.132 -5.089 -12.339 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.964 -5.582 -9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.505 -4.755 -9.660 1.00 0.00 H new ATOM 0 HG LEU A 41 4.409 -3.270 -11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.256 -2.559 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.053 -4.304 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.216 -3.729 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.350 -1.409 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.324 -2.576 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.641 -2.330 -10.622 1.00 0.00 H new ATOM 640 N GLY A 42 8.343 -5.236 -12.253 1.00 0.00 N ATOM 641 CA GLY A 42 9.576 -4.602 -12.727 1.00 0.00 C ATOM 642 C GLY A 42 9.360 -3.991 -14.113 1.00 0.00 C ATOM 643 O GLY A 42 9.897 -2.928 -14.425 1.00 0.00 O ATOM 0 H GLY A 42 8.433 -6.226 -12.025 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.888 -3.828 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.379 -5.338 -12.768 1.00 0.00 H new ATOM 647 N LYS A 43 8.543 -4.670 -14.930 1.00 0.00 N ATOM 648 CA LYS A 43 8.229 -4.185 -16.278 1.00 0.00 C ATOM 649 C LYS A 43 7.269 -2.992 -16.207 1.00 0.00 C ATOM 650 O LYS A 43 7.212 -2.172 -17.125 1.00 0.00 O ATOM 651 CB LYS A 43 7.577 -5.294 -17.117 1.00 0.00 C ATOM 652 CG LYS A 43 8.512 -6.508 -17.201 1.00 0.00 C ATOM 653 CD LYS A 43 9.533 -6.296 -18.323 1.00 0.00 C ATOM 654 CE LYS A 43 8.967 -6.835 -19.640 1.00 0.00 C ATOM 655 NZ LYS A 43 10.056 -6.915 -20.656 1.00 0.00 N ATOM 0 H LYS A 43 8.091 -5.550 -14.682 1.00 0.00 H new ATOM 0 HA LYS A 43 9.164 -3.878 -16.747 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.626 -5.587 -16.671 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.359 -4.923 -18.118 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.026 -6.650 -16.250 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.933 -7.413 -17.389 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.765 -5.236 -18.422 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.466 -6.805 -18.081 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.529 -7.821 -19.483 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.169 -6.185 -19.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.671 -7.281 -21.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.454 -5.967 -20.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.803 -7.552 -20.314 1.00 0.00 H new ATOM 669 N VAL A 44 6.523 -2.903 -15.097 1.00 0.00 N ATOM 670 CA VAL A 44 5.572 -1.811 -14.894 1.00 0.00 C ATOM 671 C VAL A 44 6.319 -0.538 -14.521 1.00 0.00 C ATOM 672 O VAL A 44 6.130 0.508 -15.139 1.00 0.00 O ATOM 673 CB VAL A 44 4.586 -2.138 -13.765 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.466 -1.099 -13.757 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.986 -3.533 -13.970 1.00 0.00 C ATOM 0 H VAL A 44 6.562 -3.574 -14.330 1.00 0.00 H new ATOM 0 HA VAL A 44 5.021 -1.674 -15.825 1.00 0.00 H new ATOM 0 HB VAL A 44 5.117 -2.119 -12.813 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.763 -1.328 -12.956 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.890 -0.108 -13.595 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.945 -1.119 -14.714 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.288 -3.751 -13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.458 -3.566 -14.923 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.784 -4.276 -13.971 1.00 0.00 H new ATOM 685 N MET A 45 7.168 -0.647 -13.494 1.00 0.00 N ATOM 686 CA MET A 45 7.948 0.497 -13.028 1.00 0.00 C ATOM 687 C MET A 45 8.762 1.094 -14.173 1.00 0.00 C ATOM 688 O MET A 45 8.835 2.313 -14.315 1.00 0.00 O ATOM 689 CB MET A 45 8.896 0.084 -11.896 1.00 0.00 C ATOM 690 CG MET A 45 8.765 1.070 -10.732 1.00 0.00 C ATOM 691 SD MET A 45 7.393 0.563 -9.666 1.00 0.00 S ATOM 692 CE MET A 45 6.774 2.219 -9.283 1.00 0.00 C ATOM 0 H MET A 45 7.330 -1.510 -12.975 1.00 0.00 H new ATOM 0 HA MET A 45 7.249 1.245 -12.654 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.659 -0.925 -11.559 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.924 0.066 -12.257 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.692 1.100 -10.160 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.592 2.077 -11.112 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.943 2.144 -8.582 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.573 2.812 -8.837 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.433 2.701 -10.199 1.00 0.00 H new ATOM 702 N ARG A 46 9.362 0.223 -14.995 1.00 0.00 N ATOM 703 CA ARG A 46 10.163 0.688 -16.135 1.00 0.00 C ATOM 704 C ARG A 46 9.300 1.501 -17.099 1.00 0.00 C ATOM 705 O ARG A 46 9.754 2.491 -17.675 1.00 0.00 O ATOM 706 CB ARG A 46 10.776 -0.496 -16.887 1.00 0.00 C ATOM 707 CG ARG A 46 11.889 -1.112 -16.039 1.00 0.00 C ATOM 708 CD ARG A 46 12.534 -2.275 -16.798 1.00 0.00 C ATOM 709 NE ARG A 46 13.310 -1.786 -17.942 1.00 0.00 N ATOM 710 CZ ARG A 46 13.808 -2.621 -18.866 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.619 -3.916 -18.770 1.00 0.00 N ATOM 712 NH2 ARG A 46 14.489 -2.137 -19.874 1.00 0.00 N ATOM 0 H ARG A 46 9.310 -0.791 -14.895 1.00 0.00 H new ATOM 0 HA ARG A 46 10.963 1.317 -15.745 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.010 -1.242 -17.100 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.175 -0.165 -17.846 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.640 -0.358 -15.804 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.484 -1.465 -15.091 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.183 -2.837 -16.127 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.762 -2.962 -17.144 1.00 0.00 H new ATOM 0 HE ARG A 46 13.476 -0.784 -18.038 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.089 -4.297 -17.987 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.002 -4.541 -19.479 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.638 -1.131 -19.953 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.871 -2.766 -20.580 1.00 0.00 H new ATOM 726 N MET A 47 8.044 1.077 -17.251 1.00 0.00 N ATOM 727 CA MET A 47 7.101 1.774 -18.132 1.00 0.00 C ATOM 728 C MET A 47 6.607 3.069 -17.477 1.00 0.00 C ATOM 729 O MET A 47 6.323 4.053 -18.163 1.00 0.00 O ATOM 730 CB MET A 47 5.893 0.883 -18.440 1.00 0.00 C ATOM 731 CG MET A 47 6.284 -0.188 -19.463 1.00 0.00 C ATOM 732 SD MET A 47 6.424 0.565 -21.105 1.00 0.00 S ATOM 733 CE MET A 47 8.208 0.337 -21.312 1.00 0.00 C ATOM 0 H MET A 47 7.657 0.260 -16.779 1.00 0.00 H new ATOM 0 HA MET A 47 7.625 2.011 -19.058 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.535 0.411 -17.525 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.073 1.488 -18.828 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.231 -0.647 -19.180 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.537 -0.982 -19.478 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.589 1.072 -22.021 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.705 0.468 -20.351 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.405 -0.666 -21.689 1.00 0.00 H new ATOM 743 N LEU A 48 6.512 3.054 -16.141 1.00 0.00 N ATOM 744 CA LEU A 48 6.057 4.228 -15.388 1.00 0.00 C ATOM 745 C LEU A 48 7.132 5.321 -15.392 1.00 0.00 C ATOM 746 O LEU A 48 6.817 6.512 -15.358 1.00 0.00 O ATOM 747 CB LEU A 48 5.732 3.840 -13.938 1.00 0.00 C ATOM 748 CG LEU A 48 4.279 3.411 -13.667 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.743 2.582 -14.838 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.225 2.567 -12.388 1.00 0.00 C ATOM 0 H LEU A 48 6.743 2.246 -15.563 1.00 0.00 H new ATOM 0 HA LEU A 48 5.157 4.610 -15.870 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.392 3.024 -13.644 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.966 4.688 -13.294 1.00 0.00 H new ATOM 0 HG LEU A 48 3.665 4.304 -13.550 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.714 2.285 -14.633 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.774 3.178 -15.750 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.359 1.692 -14.966 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.196 2.263 -12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.848 1.681 -12.510 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.592 3.156 -11.548 1.00 0.00 H new ATOM 762 N GLY A 49 8.403 4.901 -15.452 1.00 0.00 N ATOM 763 CA GLY A 49 9.522 5.854 -15.481 1.00 0.00 C ATOM 764 C GLY A 49 10.596 5.552 -14.421 1.00 0.00 C ATOM 765 O GLY A 49 11.423 6.413 -14.117 1.00 0.00 O ATOM 0 H GLY A 49 8.681 3.920 -15.481 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.980 5.838 -16.470 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.138 6.862 -15.324 1.00 0.00 H new ATOM 769 N GLN A 50 10.586 4.333 -13.864 1.00 0.00 N ATOM 770 CA GLN A 50 11.572 3.951 -12.846 1.00 0.00 C ATOM 771 C GLN A 50 12.150 2.569 -13.148 1.00 0.00 C ATOM 772 O GLN A 50 11.441 1.671 -13.596 1.00 0.00 O ATOM 773 CB GLN A 50 10.927 3.924 -11.456 1.00 0.00 C ATOM 774 CG GLN A 50 10.299 5.287 -11.154 1.00 0.00 C ATOM 775 CD GLN A 50 8.819 5.110 -10.833 1.00 0.00 C ATOM 776 OE1 GLN A 50 8.451 4.869 -9.684 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.938 5.218 -11.791 1.00 0.00 N ATOM 0 H GLN A 50 9.914 3.603 -14.098 1.00 0.00 H new ATOM 0 HA GLN A 50 12.372 4.692 -12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.167 3.144 -11.412 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.675 3.682 -10.701 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.810 5.756 -10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.419 5.951 -12.010 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.243 5.418 -12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.945 5.103 -11.586 1.00 0.00 H new ATOM 786 N ASN A 51 13.449 2.404 -12.892 1.00 0.00 N ATOM 787 CA ASN A 51 14.113 1.120 -13.141 1.00 0.00 C ATOM 788 C ASN A 51 14.793 0.604 -11.863 1.00 0.00 C ATOM 789 O ASN A 51 16.018 0.661 -11.725 1.00 0.00 O ATOM 790 CB ASN A 51 15.151 1.249 -14.274 1.00 0.00 C ATOM 791 CG ASN A 51 16.154 2.377 -13.987 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.966 3.186 -13.077 1.00 0.00 O ATOM 793 ND2 ASN A 51 17.227 2.477 -14.724 1.00 0.00 N ATOM 0 H ASN A 51 14.057 3.132 -12.517 1.00 0.00 H new ATOM 0 HA ASN A 51 13.351 0.403 -13.447 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.685 0.306 -14.390 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.641 1.445 -15.217 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.902 3.221 -14.544 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.391 1.812 -15.479 1.00 0.00 H new ATOM 800 N PRO A 52 13.997 0.092 -10.910 1.00 0.00 N ATOM 801 CA PRO A 52 14.525 -0.436 -9.636 1.00 0.00 C ATOM 802 C PRO A 52 15.022 -1.883 -9.754 1.00 0.00 C ATOM 803 O PRO A 52 15.291 -2.374 -10.853 1.00 0.00 O ATOM 804 CB PRO A 52 13.301 -0.352 -8.729 1.00 0.00 C ATOM 805 CG PRO A 52 12.074 -0.385 -9.631 1.00 0.00 C ATOM 806 CD PRO A 52 12.528 0.009 -11.041 1.00 0.00 C ATOM 0 HA PRO A 52 15.394 0.115 -9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.285 -1.184 -8.025 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.321 0.564 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.628 -1.380 -9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.312 0.304 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.231 -0.733 -11.782 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.097 0.961 -11.352 1.00 0.00 H new ATOM 814 N THR A 53 15.132 -2.556 -8.606 1.00 0.00 N ATOM 815 CA THR A 53 15.589 -3.947 -8.569 1.00 0.00 C ATOM 816 C THR A 53 14.413 -4.858 -8.200 1.00 0.00 C ATOM 817 O THR A 53 13.347 -4.371 -7.823 1.00 0.00 O ATOM 818 CB THR A 53 16.721 -4.112 -7.533 1.00 0.00 C ATOM 819 OG1 THR A 53 16.166 -4.300 -6.238 1.00 0.00 O ATOM 820 CG2 THR A 53 17.608 -2.867 -7.522 1.00 0.00 C ATOM 0 H THR A 53 14.911 -2.161 -7.692 1.00 0.00 H new ATOM 0 HA THR A 53 15.972 -4.222 -9.552 1.00 0.00 H new ATOM 0 HB THR A 53 17.320 -4.981 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.889 -4.406 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.404 -2.994 -6.788 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.046 -2.723 -8.510 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.008 -1.995 -7.260 1.00 0.00 H new ATOM 828 N PRO A 54 14.589 -6.185 -8.284 1.00 0.00 N ATOM 829 CA PRO A 54 13.514 -7.134 -7.931 1.00 0.00 C ATOM 830 C PRO A 54 13.275 -7.199 -6.420 1.00 0.00 C ATOM 831 O PRO A 54 12.165 -7.489 -5.969 1.00 0.00 O ATOM 832 CB PRO A 54 14.039 -8.454 -8.486 1.00 0.00 C ATOM 833 CG PRO A 54 15.549 -8.318 -8.597 1.00 0.00 C ATOM 834 CD PRO A 54 15.855 -6.823 -8.712 1.00 0.00 C ATOM 0 HA PRO A 54 12.543 -6.853 -8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.773 -9.282 -7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.598 -8.666 -9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.040 -8.746 -7.723 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.922 -8.856 -9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.689 -6.532 -8.073 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.122 -6.544 -9.731 1.00 0.00 H new ATOM 842 N GLU A 55 14.324 -6.897 -5.649 1.00 0.00 N ATOM 843 CA GLU A 55 14.222 -6.892 -4.190 1.00 0.00 C ATOM 844 C GLU A 55 13.595 -5.582 -3.704 1.00 0.00 C ATOM 845 O GLU A 55 12.871 -5.563 -2.708 1.00 0.00 O ATOM 846 CB GLU A 55 15.608 -7.048 -3.550 1.00 0.00 C ATOM 847 CG GLU A 55 15.932 -8.536 -3.375 1.00 0.00 C ATOM 848 CD GLU A 55 15.224 -9.075 -2.135 1.00 0.00 C ATOM 849 OE1 GLU A 55 15.775 -8.939 -1.055 1.00 0.00 O ATOM 850 OE2 GLU A 55 14.140 -9.617 -2.284 1.00 0.00 O ATOM 0 H GLU A 55 15.247 -6.655 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 55 13.592 -7.731 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.364 -6.573 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.632 -6.545 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.616 -9.093 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.009 -8.675 -3.280 1.00 0.00 H new ATOM 857 N GLU A 56 13.891 -4.483 -4.417 1.00 0.00 N ATOM 858 CA GLU A 56 13.362 -3.167 -4.049 1.00 0.00 C ATOM 859 C GLU A 56 11.910 -3.001 -4.505 1.00 0.00 C ATOM 860 O GLU A 56 11.066 -2.526 -3.742 1.00 0.00 O ATOM 861 CB GLU A 56 14.211 -2.056 -4.675 1.00 0.00 C ATOM 862 CG GLU A 56 15.467 -1.830 -3.828 1.00 0.00 C ATOM 863 CD GLU A 56 16.193 -0.579 -4.312 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.887 0.491 -3.813 1.00 0.00 O ATOM 865 OE2 GLU A 56 17.046 -0.710 -5.176 1.00 0.00 O ATOM 0 H GLU A 56 14.489 -4.482 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 56 13.400 -3.094 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.491 -2.328 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.632 -1.134 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.195 -1.721 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.126 -2.695 -3.899 1.00 0.00 H new ATOM 872 N LEU A 57 11.627 -3.384 -5.757 1.00 0.00 N ATOM 873 CA LEU A 57 10.271 -3.257 -6.299 1.00 0.00 C ATOM 874 C LEU A 57 9.272 -4.105 -5.504 1.00 0.00 C ATOM 875 O LEU A 57 8.126 -3.703 -5.318 1.00 0.00 O ATOM 876 CB LEU A 57 10.229 -3.660 -7.781 1.00 0.00 C ATOM 877 CG LEU A 57 10.429 -5.152 -8.089 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.084 -5.883 -8.023 1.00 0.00 C ATOM 879 CD2 LEU A 57 11.012 -5.304 -9.498 1.00 0.00 C ATOM 0 H LEU A 57 12.309 -3.779 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 57 9.985 -2.209 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.267 -3.352 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.997 -3.096 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 57 11.111 -5.581 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.233 -6.940 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.660 -5.776 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.400 -5.454 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.155 -6.361 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.325 -4.870 -10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.971 -4.789 -9.553 1.00 0.00 H new ATOM 891 N GLN A 58 9.715 -5.275 -5.034 1.00 0.00 N ATOM 892 CA GLN A 58 8.838 -6.158 -4.257 1.00 0.00 C ATOM 893 C GLN A 58 8.420 -5.495 -2.941 1.00 0.00 C ATOM 894 O GLN A 58 7.297 -5.687 -2.471 1.00 0.00 O ATOM 895 CB GLN A 58 9.544 -7.484 -3.951 1.00 0.00 C ATOM 896 CG GLN A 58 8.527 -8.507 -3.430 1.00 0.00 C ATOM 897 CD GLN A 58 7.551 -8.888 -4.544 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.878 -9.693 -5.416 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.360 -8.351 -4.567 1.00 0.00 N ATOM 0 H GLN A 58 10.661 -5.630 -5.175 1.00 0.00 H new ATOM 0 HA GLN A 58 7.948 -6.350 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.028 -7.865 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.327 -7.327 -3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.045 -9.396 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.981 -8.091 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.087 -7.684 -3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.703 -8.599 -5.307 1.00 0.00 H new ATOM 908 N GLU A 59 9.334 -4.717 -2.352 1.00 0.00 N ATOM 909 CA GLU A 59 9.052 -4.032 -1.087 1.00 0.00 C ATOM 910 C GLU A 59 7.902 -3.036 -1.242 1.00 0.00 C ATOM 911 O GLU A 59 6.943 -3.063 -0.468 1.00 0.00 O ATOM 912 CB GLU A 59 10.292 -3.280 -0.588 1.00 0.00 C ATOM 913 CG GLU A 59 11.393 -4.282 -0.222 1.00 0.00 C ATOM 914 CD GLU A 59 11.068 -4.937 1.118 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.400 -4.355 2.137 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.494 -6.014 1.104 1.00 0.00 O ATOM 0 H GLU A 59 10.267 -4.547 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 59 8.770 -4.796 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.650 -2.598 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.036 -2.673 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.479 -5.042 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.356 -3.774 -0.166 1.00 0.00 H new ATOM 923 N MET A 60 8.008 -2.155 -2.243 1.00 0.00 N ATOM 924 CA MET A 60 6.966 -1.148 -2.480 1.00 0.00 C ATOM 925 C MET A 60 5.635 -1.800 -2.863 1.00 0.00 C ATOM 926 O MET A 60 4.567 -1.248 -2.590 1.00 0.00 O ATOM 927 CB MET A 60 7.389 -0.155 -3.575 1.00 0.00 C ATOM 928 CG MET A 60 7.642 -0.889 -4.895 1.00 0.00 C ATOM 929 SD MET A 60 7.671 0.307 -6.253 1.00 0.00 S ATOM 930 CE MET A 60 9.468 0.498 -6.356 1.00 0.00 C ATOM 0 H MET A 60 8.792 -2.117 -2.894 1.00 0.00 H new ATOM 0 HA MET A 60 6.831 -0.604 -1.545 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.612 0.596 -3.713 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.291 0.373 -3.267 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.589 -1.426 -4.849 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.862 -1.631 -5.066 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.712 1.543 -6.548 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.922 0.186 -5.415 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.854 -0.120 -7.167 1.00 0.00 H new ATOM 940 N ILE A 61 5.704 -2.983 -3.487 1.00 0.00 N ATOM 941 CA ILE A 61 4.490 -3.697 -3.886 1.00 0.00 C ATOM 942 C ILE A 61 3.765 -4.225 -2.652 1.00 0.00 C ATOM 943 O ILE A 61 2.567 -4.006 -2.487 1.00 0.00 O ATOM 944 CB ILE A 61 4.818 -4.872 -4.814 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.379 -4.339 -6.134 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.543 -5.674 -5.096 1.00 0.00 C ATOM 947 CD1 ILE A 61 6.158 -5.449 -6.838 1.00 0.00 C ATOM 0 H ILE A 61 6.575 -3.458 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 61 3.851 -2.994 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 61 5.556 -5.515 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.568 -3.988 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.030 -3.485 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.777 -6.509 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.138 -6.055 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.806 -5.029 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.559 -5.072 -7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.978 -5.779 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.493 -6.290 -7.038 1.00 0.00 H new ATOM 959 N ASP A 62 4.507 -4.918 -1.783 1.00 0.00 N ATOM 960 CA ASP A 62 3.923 -5.468 -0.557 1.00 0.00 C ATOM 961 C ASP A 62 3.356 -4.345 0.318 1.00 0.00 C ATOM 962 O ASP A 62 2.367 -4.539 1.026 1.00 0.00 O ATOM 963 CB ASP A 62 4.975 -6.245 0.241 1.00 0.00 C ATOM 964 CG ASP A 62 5.065 -7.673 -0.292 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.332 -8.515 0.201 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.864 -7.903 -1.186 1.00 0.00 O ATOM 0 H ASP A 62 5.502 -5.110 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 62 3.118 -6.145 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.945 -5.753 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.710 -6.256 1.298 1.00 0.00 H new ATOM 971 N GLU A 63 3.992 -3.167 0.251 1.00 0.00 N ATOM 972 CA GLU A 63 3.545 -2.012 1.031 1.00 0.00 C ATOM 973 C GLU A 63 2.181 -1.518 0.536 1.00 0.00 C ATOM 974 O GLU A 63 1.262 -1.309 1.330 1.00 0.00 O ATOM 975 CB GLU A 63 4.558 -0.867 0.927 1.00 0.00 C ATOM 976 CG GLU A 63 5.723 -1.120 1.889 1.00 0.00 C ATOM 977 CD GLU A 63 6.915 -0.249 1.494 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.840 0.953 1.693 1.00 0.00 O ATOM 979 OE2 GLU A 63 7.887 -0.797 1.002 1.00 0.00 O ATOM 0 H GLU A 63 4.811 -2.993 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 63 3.459 -2.328 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.928 -0.788 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.076 0.081 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.419 -0.895 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.005 -2.173 1.865 1.00 0.00 H new ATOM 986 N VAL A 64 2.060 -1.332 -0.786 1.00 0.00 N ATOM 987 CA VAL A 64 0.800 -0.859 -1.377 1.00 0.00 C ATOM 988 C VAL A 64 -0.267 -1.966 -1.369 1.00 0.00 C ATOM 989 O VAL A 64 -1.463 -1.680 -1.292 1.00 0.00 O ATOM 990 CB VAL A 64 1.025 -0.361 -2.817 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.493 -1.512 -3.712 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.281 0.214 -3.375 1.00 0.00 C ATOM 0 H VAL A 64 2.808 -1.499 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 64 0.443 -0.029 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 64 1.792 0.413 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.648 -1.144 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.429 -1.916 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.736 -2.296 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.118 0.565 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.048 -0.560 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.607 1.047 -2.752 1.00 0.00 H new ATOM 1002 N ASP A 65 0.175 -3.228 -1.444 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.753 -4.359 -1.440 1.00 0.00 C ATOM 1004 C ASP A 65 -1.269 -4.599 -0.019 1.00 0.00 C ATOM 1005 O ASP A 65 -0.579 -5.188 0.817 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.060 -5.627 -1.956 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.904 -6.272 -3.051 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -0.760 -5.871 -4.196 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.682 -7.155 -2.733 1.00 0.00 O ATOM 0 H ASP A 65 1.160 -3.487 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.589 -4.124 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.928 -5.379 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.087 -6.330 -1.136 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.489 -4.117 0.244 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.105 -4.260 1.571 1.00 0.00 C ATOM 1016 C GLU A 66 -3.205 -5.730 1.993 1.00 0.00 C ATOM 1017 O GLU A 66 -3.006 -6.061 3.163 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.510 -3.637 1.591 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.393 -4.272 0.508 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.777 -3.632 0.535 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.967 -2.647 -0.161 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.629 -4.137 1.249 1.00 0.00 O ATOM 0 H GLU A 66 -3.067 -3.627 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.461 -3.735 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.965 -3.782 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.440 -2.562 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.937 -4.136 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.475 -5.346 0.675 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.514 -6.601 1.032 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.641 -8.033 1.317 1.00 0.00 C ATOM 1031 C ASP A 67 -2.304 -8.753 1.125 1.00 0.00 C ATOM 1032 O ASP A 67 -1.978 -9.681 1.867 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.711 -8.689 0.424 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.598 -8.182 -1.015 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.184 -7.152 -1.309 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.930 -8.830 -1.800 1.00 0.00 O ATOM 0 H ASP A 67 -3.680 -6.345 0.059 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.948 -8.127 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.594 -9.773 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.704 -8.469 0.816 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.535 -8.321 0.119 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.238 -8.938 -0.163 1.00 0.00 C ATOM 1043 C GLY A 68 -0.433 -10.328 -0.760 1.00 0.00 C ATOM 1044 O GLY A 68 0.176 -11.302 -0.313 1.00 0.00 O ATOM 0 H GLY A 68 -1.786 -7.555 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.327 -8.313 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.347 -9.007 0.754 1.00 0.00 H new ATOM 1048 N SER A 69 -1.300 -10.402 -1.772 1.00 0.00 N ATOM 1049 CA SER A 69 -1.595 -11.674 -2.435 1.00 0.00 C ATOM 1050 C SER A 69 -0.627 -11.957 -3.598 1.00 0.00 C ATOM 1051 O SER A 69 -0.815 -12.923 -4.343 1.00 0.00 O ATOM 1052 CB SER A 69 -3.026 -11.661 -2.980 1.00 0.00 C ATOM 1053 OG SER A 69 -3.176 -10.573 -3.891 1.00 0.00 O ATOM 0 H SER A 69 -1.807 -9.601 -2.149 1.00 0.00 H new ATOM 0 HA SER A 69 -1.477 -12.460 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.244 -12.603 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.738 -11.564 -2.161 1.00 0.00 H new ATOM 0 HG SER A 69 -3.471 -9.776 -3.403 1.00 0.00 H new ATOM 1059 N GLY A 70 0.396 -11.108 -3.761 1.00 0.00 N ATOM 1060 CA GLY A 70 1.356 -11.284 -4.850 1.00 0.00 C ATOM 1061 C GLY A 70 0.757 -10.818 -6.179 1.00 0.00 C ATOM 1062 O GLY A 70 1.236 -11.192 -7.251 1.00 0.00 O ATOM 0 H GLY A 70 0.576 -10.304 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.263 -10.719 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.643 -12.333 -4.923 1.00 0.00 H new ATOM 1066 N THR A 71 -0.300 -9.995 -6.095 1.00 0.00 N ATOM 1067 CA THR A 71 -0.965 -9.479 -7.290 1.00 0.00 C ATOM 1068 C THR A 71 -1.485 -8.065 -7.031 1.00 0.00 C ATOM 1069 O THR A 71 -2.083 -7.794 -5.987 1.00 0.00 O ATOM 1070 CB THR A 71 -2.146 -10.379 -7.690 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.188 -10.258 -6.729 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.688 -11.838 -7.758 1.00 0.00 C ATOM 0 H THR A 71 -0.707 -9.677 -5.215 1.00 0.00 H new ATOM 0 HA THR A 71 -0.237 -9.464 -8.101 1.00 0.00 H new ATOM 0 HB THR A 71 -2.513 -10.069 -8.668 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.830 -10.436 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.529 -12.471 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.894 -11.936 -8.498 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.314 -12.148 -6.782 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.254 -7.171 -7.992 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.708 -5.787 -7.852 1.00 0.00 C ATOM 1082 C VAL A 72 -3.004 -5.572 -8.625 1.00 0.00 C ATOM 1083 O VAL A 72 -3.038 -5.689 -9.852 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.664 -4.791 -8.378 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.964 -3.397 -7.820 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.743 -5.214 -7.945 1.00 0.00 C ATOM 0 H VAL A 72 -0.763 -7.375 -8.863 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.865 -5.611 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.711 -4.775 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.224 -2.689 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.958 -3.084 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.924 -3.425 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.471 -4.498 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.796 -5.242 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.964 -6.204 -8.344 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.063 -5.225 -7.896 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.356 -4.957 -8.522 1.00 0.00 C ATOM 1098 C ASP A 73 -5.355 -3.525 -9.046 1.00 0.00 C ATOM 1099 O ASP A 73 -4.461 -2.748 -8.715 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.496 -5.128 -7.512 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.637 -6.603 -7.144 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -7.354 -7.301 -7.842 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -6.027 -7.012 -6.169 1.00 0.00 O ATOM 0 H ASP A 73 -4.052 -5.124 -6.881 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.511 -5.663 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.295 -4.537 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.429 -4.758 -7.936 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.344 -3.172 -9.867 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.398 -1.811 -10.410 1.00 0.00 C ATOM 1110 C PHE A 74 -6.499 -0.779 -9.283 1.00 0.00 C ATOM 1111 O PHE A 74 -5.969 0.327 -9.397 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.571 -1.634 -11.376 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.309 -0.439 -12.260 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.081 -0.321 -12.916 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.292 0.542 -12.429 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.833 0.779 -13.743 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.042 1.645 -13.256 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.813 1.762 -13.911 1.00 0.00 C ATOM 0 H PHE A 74 -7.100 -3.788 -10.166 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.472 -1.650 -10.962 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.696 -2.530 -11.983 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.498 -1.494 -10.820 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.323 -1.079 -12.784 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.242 0.449 -11.923 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.885 0.869 -14.252 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.799 2.404 -13.387 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.620 2.613 -14.548 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.163 -1.158 -8.183 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.295 -0.259 -7.037 1.00 0.00 C ATOM 1130 C ASP A 75 -5.931 -0.072 -6.370 1.00 0.00 C ATOM 1131 O ASP A 75 -5.550 1.043 -6.013 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.290 -0.816 -6.012 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.895 0.334 -5.211 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -8.302 0.714 -4.214 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.942 0.820 -5.608 1.00 0.00 O ATOM 0 H ASP A 75 -7.610 -2.067 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.668 0.700 -7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.077 -1.373 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.786 -1.514 -5.343 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.188 -1.180 -6.232 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.849 -1.136 -5.635 1.00 0.00 C ATOM 1142 C GLU A 76 -2.859 -0.489 -6.614 1.00 0.00 C ATOM 1143 O GLU A 76 -1.862 0.110 -6.204 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.352 -2.550 -5.291 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.365 -3.256 -4.379 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.886 -4.676 -4.067 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.705 -5.442 -5.000 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.713 -4.979 -2.899 1.00 0.00 O ATOM 0 H GLU A 76 -5.490 -2.110 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.910 -0.547 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.210 -3.127 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.383 -2.493 -4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.488 -2.693 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.341 -3.290 -4.863 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.154 -0.626 -7.915 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.307 -0.071 -8.971 1.00 0.00 C ATOM 1157 C PHE A 77 -2.344 1.459 -8.950 1.00 0.00 C ATOM 1158 O PHE A 77 -1.301 2.115 -8.938 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.808 -0.567 -10.338 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.670 -0.811 -11.308 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.346 -0.984 -10.865 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.960 -0.871 -12.673 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.672 -1.211 -11.796 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.942 -1.100 -13.597 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.373 -1.270 -13.162 1.00 0.00 C ATOM 0 H PHE A 77 -3.978 -1.120 -8.258 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.282 -0.400 -8.802 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.373 -1.489 -10.204 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.493 0.168 -10.761 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.117 -0.942 -9.810 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.976 -0.740 -13.014 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.690 -1.341 -11.461 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.171 -1.146 -14.651 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.160 -1.447 -13.880 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.559 2.015 -8.952 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.736 3.471 -8.936 1.00 0.00 C ATOM 1177 C LEU A 78 -3.348 4.058 -7.578 1.00 0.00 C ATOM 1178 O LEU A 78 -2.911 5.208 -7.494 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.188 3.841 -9.252 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.515 3.984 -10.745 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.979 2.775 -11.513 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.030 4.070 -10.926 1.00 0.00 C ATOM 0 H LEU A 78 -4.430 1.484 -8.964 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.082 3.890 -9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.841 3.081 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.424 4.781 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.047 4.890 -11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.215 2.883 -12.572 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.898 2.713 -11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.442 1.866 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.265 4.172 -11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.495 3.164 -10.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.413 4.936 -10.385 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.499 3.256 -6.516 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.145 3.705 -5.168 1.00 0.00 C ATOM 1196 C VAL A 79 -1.656 4.063 -5.125 1.00 0.00 C ATOM 1197 O VAL A 79 -1.277 5.120 -4.628 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.462 2.605 -4.135 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.482 2.672 -2.962 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.888 2.801 -3.612 1.00 0.00 C ATOM 0 H VAL A 79 -3.860 2.303 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.734 4.588 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.369 1.632 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.721 1.888 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.465 2.530 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.561 3.645 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.117 2.026 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.971 3.780 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.592 2.737 -4.442 1.00 0.00 H new ATOM 1210 N MET A 80 -0.824 3.163 -5.660 1.00 0.00 N ATOM 1211 CA MET A 80 0.628 3.376 -5.700 1.00 0.00 C ATOM 1212 C MET A 80 0.980 4.787 -6.201 1.00 0.00 C ATOM 1213 O MET A 80 1.981 5.368 -5.776 1.00 0.00 O ATOM 1214 CB MET A 80 1.289 2.347 -6.625 1.00 0.00 C ATOM 1215 CG MET A 80 2.460 1.682 -5.900 1.00 0.00 C ATOM 1216 SD MET A 80 2.963 0.191 -6.800 1.00 0.00 S ATOM 1217 CE MET A 80 3.491 1.007 -8.327 1.00 0.00 C ATOM 0 H MET A 80 -1.130 2.281 -6.071 1.00 0.00 H new ATOM 0 HA MET A 80 1.000 3.262 -4.682 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.561 1.594 -6.927 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.641 2.834 -7.535 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.298 2.376 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.171 1.424 -4.881 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.357 0.487 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.677 0.984 -9.052 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.757 2.042 -8.113 1.00 0.00 H new ATOM 1227 N MET A 81 0.147 5.335 -7.101 1.00 0.00 N ATOM 1228 CA MET A 81 0.387 6.679 -7.638 1.00 0.00 C ATOM 1229 C MET A 81 0.261 7.727 -6.529 1.00 0.00 C ATOM 1230 O MET A 81 1.195 8.488 -6.272 1.00 0.00 O ATOM 1231 CB MET A 81 -0.610 7.008 -8.758 1.00 0.00 C ATOM 1232 CG MET A 81 -0.341 8.420 -9.296 1.00 0.00 C ATOM 1233 SD MET A 81 -0.235 8.375 -11.103 1.00 0.00 S ATOM 1234 CE MET A 81 1.388 7.581 -11.218 1.00 0.00 C ATOM 0 H MET A 81 -0.686 4.874 -7.466 1.00 0.00 H new ATOM 0 HA MET A 81 1.398 6.699 -8.045 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.520 6.279 -9.563 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.630 6.941 -8.380 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.138 9.096 -8.986 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.587 8.808 -8.877 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.465 7.046 -12.164 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.169 8.340 -11.166 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.509 6.879 -10.393 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.905 7.750 -5.874 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.146 8.706 -4.785 1.00 0.00 C ATOM 1246 C VAL A 82 -0.208 8.436 -3.604 1.00 0.00 C ATOM 1247 O VAL A 82 0.191 9.361 -2.900 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.604 8.649 -4.300 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.535 9.110 -5.422 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.970 7.218 -3.893 1.00 0.00 C ATOM 0 H VAL A 82 -1.688 7.127 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.948 9.701 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.715 9.305 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.568 9.069 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.287 10.133 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.415 8.457 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.005 7.190 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.853 6.555 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.313 6.889 -3.088 1.00 0.00 H new ATOM 1260 N ARG A 83 0.145 7.158 -3.404 1.00 0.00 N ATOM 1261 CA ARG A 83 1.048 6.775 -2.313 1.00 0.00 C ATOM 1262 C ARG A 83 2.399 7.477 -2.464 1.00 0.00 C ATOM 1263 O ARG A 83 3.008 7.888 -1.477 1.00 0.00 O ATOM 1264 CB ARG A 83 1.284 5.260 -2.306 1.00 0.00 C ATOM 1265 CG ARG A 83 0.007 4.535 -1.870 1.00 0.00 C ATOM 1266 CD ARG A 83 0.370 3.338 -0.985 1.00 0.00 C ATOM 1267 NE ARG A 83 0.413 3.728 0.427 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.703 3.856 1.163 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -1.886 3.652 0.632 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -0.609 4.191 2.425 1.00 0.00 N ATOM 0 H ARG A 83 -0.178 6.380 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 83 0.577 7.075 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.581 4.925 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.102 5.014 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.643 5.219 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.548 4.198 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.361 2.542 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.338 2.938 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 83 1.317 3.908 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.966 3.393 -0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.725 3.753 1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.307 4.353 2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.452 4.290 2.990 1.00 0.00 H new