USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 871 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 54 HIS :FLIP no HD1:sc= -0.0405 F(o=-6.4,f=-5.6) USER MOD Set 1.2: A 57 GLN :FLIP amide:sc= -5.51! C(o=-5.6!,f=-5.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.0283 (180deg=-0.422) USER MOD Single : A 17 CYS SG : rot -110:sc= -5.64! USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0491 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.85 F(o=-4.1!,f=-1.9) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.777 USER MOD Single : A 38 TYR OH : rot 130:sc= -2.04 USER MOD Single : A 42 THR OG1 : rot -24:sc= 0.654 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot -30:sc= -0.93 USER MOD Single : A 53 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.024) USER MOD Single : A 58 GLN : amide:sc= 0.149 K(o=0.15,f=-1.9!) USER MOD Single : A 59 CYS SG : rot 129:sc= -0.441 USER MOD Single : A 60 THR OG1 : rot -120:sc= -3.68! USER MOD Single : A 87 THR OG1 : rot -63:sc= 1.01 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 71:sc= 0.12 USER MOD Single : A 103 THR OG1 : rot 99:sc= 0.883 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.024 K(o=0.024,f=-0.53) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -9.984 9.466 7.958 1.00 0.00 N ATOM 117 CA LYS A 11 -8.724 9.951 8.509 1.00 0.00 C ATOM 118 C LYS A 11 -7.690 8.831 8.570 1.00 0.00 C ATOM 119 O LYS A 11 -8.000 7.671 8.297 1.00 0.00 O ATOM 120 CB LYS A 11 -8.945 10.530 9.909 1.00 0.00 C ATOM 121 CG LYS A 11 -9.909 11.704 9.934 1.00 0.00 C ATOM 122 CD LYS A 11 -9.220 12.999 9.536 1.00 0.00 C ATOM 123 CE LYS A 11 -8.465 13.612 10.705 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.337 14.499 11.524 1.00 0.00 N ATOM 0 HA LYS A 11 -8.347 10.735 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.324 9.745 10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.986 10.849 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.739 11.509 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.332 11.808 10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.528 12.807 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.961 13.708 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.062 12.818 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.616 14.183 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.786 14.897 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.702 15.271 10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.134 13.948 11.903 1.00 0.00 H new ATOM 138 N ILE A 12 -6.460 9.186 8.929 1.00 0.00 N ATOM 139 CA ILE A 12 -5.382 8.210 9.028 1.00 0.00 C ATOM 140 C ILE A 12 -4.627 8.355 10.345 1.00 0.00 C ATOM 141 O ILE A 12 -4.499 9.457 10.880 1.00 0.00 O ATOM 142 CB ILE A 12 -4.388 8.350 7.861 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.213 7.387 8.044 1.00 0.00 C ATOM 144 CG2 ILE A 12 -3.892 9.785 7.757 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.310 7.297 6.834 1.00 0.00 C ATOM 0 H ILE A 12 -6.186 10.142 9.156 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.844 7.224 8.985 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.901 8.095 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.624 7.705 8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.600 6.394 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.190 9.868 6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.738 10.451 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.393 10.065 8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.500 6.596 7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.885 6.949 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.894 8.281 6.617 1.00 0.00 H new ATOM 157 N ASP A 13 -4.127 7.238 10.860 1.00 0.00 N ATOM 158 CA ASP A 13 -3.382 7.242 12.114 1.00 0.00 C ATOM 159 C ASP A 13 -1.937 7.673 11.885 1.00 0.00 C ATOM 160 O ASP A 13 -1.003 7.041 12.381 1.00 0.00 O ATOM 161 CB ASP A 13 -3.417 5.854 12.756 1.00 0.00 C ATOM 162 CG ASP A 13 -4.519 5.722 13.791 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.571 6.373 13.624 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.327 4.968 14.768 1.00 0.00 O ATOM 0 H ASP A 13 -4.224 6.318 10.429 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.854 7.958 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.559 5.102 11.980 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.455 5.650 13.226 1.00 0.00 H new ATOM 169 N LYS A 14 -1.759 8.752 11.130 1.00 0.00 N ATOM 170 CA LYS A 14 -0.428 9.269 10.835 1.00 0.00 C ATOM 171 C LYS A 14 0.578 8.814 11.888 1.00 0.00 C ATOM 172 O LYS A 14 1.676 8.369 11.557 1.00 0.00 O ATOM 173 CB LYS A 14 -0.456 10.797 10.768 1.00 0.00 C ATOM 174 CG LYS A 14 -0.684 11.340 9.368 1.00 0.00 C ATOM 175 CD LYS A 14 -1.419 12.670 9.398 1.00 0.00 C ATOM 176 CE LYS A 14 -1.385 13.357 8.042 1.00 0.00 C ATOM 177 NZ LYS A 14 -2.582 13.024 7.221 1.00 0.00 N ATOM 0 H LYS A 14 -2.521 9.286 10.711 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.118 8.874 9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.243 11.167 11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.487 11.187 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.275 11.464 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.258 10.619 8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.454 12.508 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.967 13.320 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.330 14.436 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.483 13.059 7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.684 13.722 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.468 12.075 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.431 13.042 7.822 1.00 0.00 H new ATOM 191 N GLU A 15 0.194 8.927 13.155 1.00 0.00 N ATOM 192 CA GLU A 15 1.064 8.527 14.255 1.00 0.00 C ATOM 193 C GLU A 15 1.425 7.048 14.151 1.00 0.00 C ATOM 194 O GLU A 15 2.599 6.691 14.040 1.00 0.00 O ATOM 195 CB GLU A 15 0.386 8.804 15.598 1.00 0.00 C ATOM 196 CG GLU A 15 -0.556 9.996 15.570 1.00 0.00 C ATOM 197 CD GLU A 15 -0.700 10.658 16.926 1.00 0.00 C ATOM 198 OE1 GLU A 15 -1.229 10.008 17.851 1.00 0.00 O ATOM 199 OE2 GLU A 15 -0.283 11.827 17.061 1.00 0.00 O ATOM 0 H GLU A 15 -0.713 9.292 13.445 1.00 0.00 H new ATOM 0 HA GLU A 15 1.981 9.113 14.192 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.171 7.918 15.904 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.152 8.975 16.354 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.189 10.727 14.850 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.537 9.671 15.223 1.00 0.00 H new ATOM 206 N ALA A 16 0.410 6.192 14.189 1.00 0.00 N ATOM 207 CA ALA A 16 0.619 4.752 14.098 1.00 0.00 C ATOM 208 C ALA A 16 1.177 4.364 12.732 1.00 0.00 C ATOM 209 O ALA A 16 1.948 3.411 12.614 1.00 0.00 O ATOM 210 CB ALA A 16 -0.681 4.011 14.369 1.00 0.00 C ATOM 0 H ALA A 16 -0.567 6.471 14.282 1.00 0.00 H new ATOM 0 HA ALA A 16 1.350 4.468 14.855 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.509 2.937 14.298 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.038 4.256 15.370 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.429 4.308 13.634 1.00 0.00 H new ATOM 216 N CYS A 17 0.781 5.106 11.704 1.00 0.00 N ATOM 217 CA CYS A 17 1.240 4.839 10.345 1.00 0.00 C ATOM 218 C CYS A 17 2.731 5.128 10.209 1.00 0.00 C ATOM 219 O CYS A 17 3.512 4.250 9.842 1.00 0.00 O ATOM 220 CB CYS A 17 0.451 5.682 9.343 1.00 0.00 C ATOM 221 SG CYS A 17 -1.344 5.562 9.529 1.00 0.00 S ATOM 0 H CYS A 17 0.143 5.898 11.785 1.00 0.00 H new ATOM 0 HA CYS A 17 1.072 3.783 10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.748 6.725 9.449 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.722 5.375 8.333 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.843 4.913 8.519 1.00 0.00 H new ATOM 227 N ARG A 18 3.118 6.363 10.505 1.00 0.00 N ATOM 228 CA ARG A 18 4.517 6.770 10.412 1.00 0.00 C ATOM 229 C ARG A 18 5.439 5.652 10.889 1.00 0.00 C ATOM 230 O ARG A 18 6.483 5.397 10.289 1.00 0.00 O ATOM 231 CB ARG A 18 4.759 8.033 11.239 1.00 0.00 C ATOM 232 CG ARG A 18 6.229 8.372 11.415 1.00 0.00 C ATOM 233 CD ARG A 18 6.429 9.461 12.458 1.00 0.00 C ATOM 234 NE ARG A 18 6.036 10.776 11.960 1.00 0.00 N ATOM 235 CZ ARG A 18 6.451 11.919 12.494 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.268 11.908 13.538 1.00 0.00 N ATOM 237 NH2 ARG A 18 6.050 13.076 11.983 1.00 0.00 N ATOM 0 H ARG A 18 2.484 7.101 10.812 1.00 0.00 H new ATOM 0 HA ARG A 18 4.740 6.982 9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.256 8.873 10.760 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.304 7.907 12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.777 7.478 11.712 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.645 8.699 10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.847 9.222 13.348 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.476 9.486 12.760 1.00 0.00 H new ATOM 0 HE ARG A 18 5.408 10.819 11.157 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.579 11.020 13.933 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.585 12.787 13.946 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.422 13.088 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.369 13.953 12.394 1.00 0.00 H new ATOM 251 N ALA A 19 5.047 4.988 11.972 1.00 0.00 N ATOM 252 CA ALA A 19 5.838 3.899 12.528 1.00 0.00 C ATOM 253 C ALA A 19 6.018 2.776 11.511 1.00 0.00 C ATOM 254 O ALA A 19 7.140 2.361 11.223 1.00 0.00 O ATOM 255 CB ALA A 19 5.184 3.365 13.794 1.00 0.00 C ATOM 0 H ALA A 19 4.186 5.186 12.481 1.00 0.00 H new ATOM 0 HA ALA A 19 6.824 4.290 12.778 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.786 2.551 14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.112 4.165 14.531 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.185 2.996 13.560 1.00 0.00 H new ATOM 261 N ALA A 20 4.907 2.289 10.971 1.00 0.00 N ATOM 262 CA ALA A 20 4.943 1.216 9.985 1.00 0.00 C ATOM 263 C ALA A 20 5.701 1.646 8.733 1.00 0.00 C ATOM 264 O ALA A 20 6.469 0.870 8.164 1.00 0.00 O ATOM 265 CB ALA A 20 3.529 0.782 9.625 1.00 0.00 C ATOM 0 H ALA A 20 3.970 2.620 11.200 1.00 0.00 H new ATOM 0 HA ALA A 20 5.470 0.370 10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.571 -0.020 8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.019 0.426 10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.983 1.629 9.209 1.00 0.00 H new ATOM 271 N TYR A 21 5.480 2.885 8.310 1.00 0.00 N ATOM 272 CA TYR A 21 6.141 3.417 7.125 1.00 0.00 C ATOM 273 C TYR A 21 7.644 3.546 7.350 1.00 0.00 C ATOM 274 O TYR A 21 8.424 3.580 6.399 1.00 0.00 O ATOM 275 CB TYR A 21 5.551 4.779 6.754 1.00 0.00 C ATOM 276 CG TYR A 21 6.502 5.659 5.974 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.731 5.440 4.622 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.171 6.709 6.590 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.599 6.240 3.905 1.00 0.00 C ATOM 280 CE2 TYR A 21 8.040 7.516 5.881 1.00 0.00 C ATOM 281 CZ TYR A 21 8.251 7.278 4.540 1.00 0.00 C ATOM 282 OH TYR A 21 9.116 8.078 3.830 1.00 0.00 O ATOM 0 H TYR A 21 4.848 3.540 8.770 1.00 0.00 H new ATOM 0 HA TYR A 21 5.974 2.720 6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.646 4.626 6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.254 5.298 7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.221 4.630 4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.009 6.898 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.767 6.055 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.551 8.329 6.375 1.00 0.00 H new ATOM 0 HH TYR A 21 9.491 8.762 4.424 1.00 0.00 H new ATOM 292 N ASN A 22 8.042 3.615 8.615 1.00 0.00 N ATOM 293 CA ASN A 22 9.452 3.740 8.968 1.00 0.00 C ATOM 294 C ASN A 22 10.091 2.367 9.148 1.00 0.00 C ATOM 295 O ASN A 22 11.164 2.094 8.612 1.00 0.00 O ATOM 296 CB ASN A 22 9.609 4.561 10.249 1.00 0.00 C ATOM 297 CG ASN A 22 9.474 6.051 10.001 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.640 6.709 10.798 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 10.112 6.603 9.104 1.00 0.00 N flip ATOM 0 H ASN A 22 7.408 3.587 9.414 1.00 0.00 H new ATOM 0 HA ASN A 22 9.961 4.254 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.858 4.246 10.973 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.584 4.356 10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.742 6.057 8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.011 7.606 8.949 1.00 0.00 H new ATOM 306 N LEU A 23 9.424 1.505 9.908 1.00 0.00 N ATOM 307 CA LEU A 23 9.924 0.158 10.160 1.00 0.00 C ATOM 308 C LEU A 23 10.415 -0.490 8.869 1.00 0.00 C ATOM 309 O LEU A 23 11.202 -1.436 8.897 1.00 0.00 O ATOM 310 CB LEU A 23 8.832 -0.704 10.796 1.00 0.00 C ATOM 311 CG LEU A 23 8.861 -0.764 12.323 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.006 -1.643 12.801 1.00 0.00 C ATOM 313 CD2 LEU A 23 8.981 0.635 12.908 1.00 0.00 C ATOM 0 H LEU A 23 8.535 1.715 10.361 1.00 0.00 H new ATOM 0 HA LEU A 23 10.765 0.232 10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.860 -0.323 10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.918 -1.718 10.406 1.00 0.00 H new ATOM 0 HG LEU A 23 7.925 -1.203 12.669 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.011 -1.674 13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.878 -2.652 12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.952 -1.234 12.445 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.000 0.574 13.996 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.901 1.100 12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.127 1.235 12.593 1.00 0.00 H new ATOM 325 N VAL A 24 9.944 0.026 7.739 1.00 0.00 N ATOM 326 CA VAL A 24 10.335 -0.501 6.437 1.00 0.00 C ATOM 327 C VAL A 24 11.299 0.444 5.728 1.00 0.00 C ATOM 328 O VAL A 24 12.247 0.005 5.078 1.00 0.00 O ATOM 329 CB VAL A 24 9.108 -0.736 5.536 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.238 0.510 5.482 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.545 -1.151 4.139 1.00 0.00 C ATOM 0 H VAL A 24 9.291 0.809 7.699 1.00 0.00 H new ATOM 0 HA VAL A 24 10.832 -1.454 6.617 1.00 0.00 H new ATOM 0 HB VAL A 24 8.516 -1.545 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.376 0.325 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.896 0.759 6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.817 1.341 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.666 -1.313 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.160 -0.365 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.123 -2.073 4.198 1.00 0.00 H new ATOM 341 N ARG A 25 11.049 1.743 5.859 1.00 0.00 N ATOM 342 CA ARG A 25 11.896 2.749 5.230 1.00 0.00 C ATOM 343 C ARG A 25 13.294 2.742 5.839 1.00 0.00 C ATOM 344 O ARG A 25 14.274 3.077 5.172 1.00 0.00 O ATOM 345 CB ARG A 25 11.270 4.138 5.381 1.00 0.00 C ATOM 346 CG ARG A 25 12.285 5.238 5.648 1.00 0.00 C ATOM 347 CD ARG A 25 11.677 6.617 5.449 1.00 0.00 C ATOM 348 NE ARG A 25 12.665 7.589 4.989 1.00 0.00 N ATOM 349 CZ ARG A 25 13.438 8.295 5.807 1.00 0.00 C ATOM 350 NH1 ARG A 25 13.337 8.138 7.119 1.00 0.00 N ATOM 351 NH2 ARG A 25 14.314 9.161 5.312 1.00 0.00 N ATOM 0 H ARG A 25 10.268 2.123 6.394 1.00 0.00 H new ATOM 0 HA ARG A 25 11.979 2.507 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.717 4.378 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.548 4.115 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.661 5.148 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.139 5.116 4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.865 6.554 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.241 6.960 6.387 1.00 0.00 H new ATOM 0 HE ARG A 25 12.767 7.734 3.985 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.665 7.474 7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.932 8.681 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.394 9.285 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.907 9.703 5.941 1.00 0.00 H new ATOM 365 N ASP A 26 13.380 2.358 7.107 1.00 0.00 N ATOM 366 CA ASP A 26 14.659 2.305 7.806 1.00 0.00 C ATOM 367 C ASP A 26 15.494 1.124 7.323 1.00 0.00 C ATOM 368 O ASP A 26 14.979 0.021 7.135 1.00 0.00 O ATOM 369 CB ASP A 26 14.435 2.204 9.316 1.00 0.00 C ATOM 370 CG ASP A 26 15.719 2.380 10.104 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.161 3.537 10.266 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.281 1.362 10.558 1.00 0.00 O ATOM 0 H ASP A 26 12.579 2.078 7.673 1.00 0.00 H new ATOM 0 HA ASP A 26 15.203 3.224 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.715 2.962 9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.997 1.234 9.552 1.00 0.00 H new ATOM 417 N VAL A 31 11.905 -5.476 8.728 1.00 0.00 N ATOM 418 CA VAL A 31 10.629 -5.236 8.064 1.00 0.00 C ATOM 419 C VAL A 31 10.833 -4.619 6.685 1.00 0.00 C ATOM 420 O VAL A 31 11.548 -3.628 6.537 1.00 0.00 O ATOM 421 CB VAL A 31 9.727 -4.309 8.901 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.428 -4.019 8.163 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.449 -4.924 10.264 1.00 0.00 C ATOM 0 HA VAL A 31 10.142 -6.205 7.956 1.00 0.00 H new ATOM 0 HB VAL A 31 10.249 -3.365 9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.804 -3.363 8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.650 -3.533 7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.899 -4.954 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.810 -4.255 10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.948 -5.883 10.135 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.390 -5.075 10.794 1.00 0.00 H new ATOM 433 N ILE A 32 10.200 -5.212 5.679 1.00 0.00 N ATOM 434 CA ILE A 32 10.311 -4.721 4.312 1.00 0.00 C ATOM 435 C ILE A 32 8.947 -4.319 3.759 1.00 0.00 C ATOM 436 O ILE A 32 8.856 -3.573 2.784 1.00 0.00 O ATOM 437 CB ILE A 32 10.937 -5.776 3.382 1.00 0.00 C ATOM 438 CG1 ILE A 32 9.919 -6.870 3.055 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.179 -6.378 4.025 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.282 -7.691 1.838 1.00 0.00 C ATOM 0 H ILE A 32 9.605 -6.033 5.785 1.00 0.00 H new ATOM 0 HA ILE A 32 10.961 -3.846 4.344 1.00 0.00 H new ATOM 0 HB ILE A 32 11.230 -5.289 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.822 -7.533 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.943 -6.411 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.611 -7.122 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.910 -5.591 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.907 -6.852 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.515 -8.447 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.350 -7.040 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.243 -8.179 2.002 1.00 0.00 H new ATOM 452 N TRP A 33 7.890 -4.817 4.390 1.00 0.00 N ATOM 453 CA TRP A 33 6.530 -4.509 3.962 1.00 0.00 C ATOM 454 C TRP A 33 5.643 -4.185 5.160 1.00 0.00 C ATOM 455 O TRP A 33 5.787 -4.779 6.229 1.00 0.00 O ATOM 456 CB TRP A 33 5.942 -5.683 3.179 1.00 0.00 C ATOM 457 CG TRP A 33 5.827 -6.940 3.989 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.663 -8.019 3.948 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.817 -7.248 4.956 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.233 -8.979 4.833 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.103 -8.529 5.464 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.700 -6.563 5.443 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.312 -9.139 6.434 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.916 -7.170 6.406 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.225 -8.447 6.893 1.00 0.00 C ATOM 0 H TRP A 33 7.948 -5.435 5.199 1.00 0.00 H new ATOM 0 HA TRP A 33 6.569 -3.633 3.315 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.955 -5.406 2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.566 -5.877 2.307 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.533 -8.105 3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.682 -9.880 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.454 -5.578 5.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.548 -10.123 6.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.050 -6.651 6.790 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.592 -8.894 7.646 1.00 0.00 H new ATOM 476 N VAL A 34 4.726 -3.242 4.974 1.00 0.00 N ATOM 477 CA VAL A 34 3.814 -2.841 6.040 1.00 0.00 C ATOM 478 C VAL A 34 2.430 -2.521 5.487 1.00 0.00 C ATOM 479 O VAL A 34 2.272 -1.630 4.653 1.00 0.00 O ATOM 480 CB VAL A 34 4.347 -1.613 6.801 1.00 0.00 C ATOM 481 CG1 VAL A 34 5.640 -1.953 7.526 1.00 0.00 C ATOM 482 CG2 VAL A 34 4.552 -0.444 5.849 1.00 0.00 C ATOM 0 H VAL A 34 4.594 -2.741 4.095 1.00 0.00 H new ATOM 0 HA VAL A 34 3.741 -3.683 6.729 1.00 0.00 H new ATOM 0 HB VAL A 34 3.607 -1.320 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.001 -1.073 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.457 -2.758 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.390 -2.273 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.929 0.415 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.272 -0.723 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.602 -0.185 5.381 1.00 0.00 H new ATOM 492 N THR A 35 1.427 -3.256 5.959 1.00 0.00 N ATOM 493 CA THR A 35 0.055 -3.053 5.511 1.00 0.00 C ATOM 494 C THR A 35 -0.673 -2.056 6.407 1.00 0.00 C ATOM 495 O THR A 35 -0.311 -1.872 7.570 1.00 0.00 O ATOM 496 CB THR A 35 -0.732 -4.377 5.491 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.441 -5.138 6.669 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.385 -5.193 4.255 1.00 0.00 C ATOM 0 H THR A 35 1.540 -3.997 6.651 1.00 0.00 H new ATOM 0 HA THR A 35 0.109 -2.656 4.497 1.00 0.00 H new ATOM 0 HB THR A 35 -1.796 -4.142 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.946 -5.977 6.649 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.953 -6.124 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.635 -4.623 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.681 -5.418 4.255 1.00 0.00 H new ATOM 506 N PHE A 36 -1.701 -1.416 5.860 1.00 0.00 N ATOM 507 CA PHE A 36 -2.479 -0.438 6.610 1.00 0.00 C ATOM 508 C PHE A 36 -3.976 -0.670 6.415 1.00 0.00 C ATOM 509 O PHE A 36 -4.550 -0.267 5.404 1.00 0.00 O ATOM 510 CB PHE A 36 -2.110 0.981 6.175 1.00 0.00 C ATOM 511 CG PHE A 36 -0.648 1.292 6.322 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.247 0.970 5.315 1.00 0.00 C ATOM 513 CD2 PHE A 36 -0.169 1.907 7.468 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.593 1.254 5.448 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.176 2.193 7.608 1.00 0.00 C ATOM 516 CZ PHE A 36 2.058 1.868 6.596 1.00 0.00 C ATOM 0 H PHE A 36 -2.014 -1.557 4.900 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.245 -0.558 7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.400 1.120 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.686 1.694 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.111 0.491 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.855 2.166 8.261 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.281 0.997 4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.537 2.670 8.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.109 2.093 6.701 1.00 0.00 H new ATOM 526 N ARG A 37 -4.599 -1.320 7.391 1.00 0.00 N ATOM 527 CA ARG A 37 -6.027 -1.607 7.327 1.00 0.00 C ATOM 528 C ARG A 37 -6.824 -0.578 8.124 1.00 0.00 C ATOM 529 O ARG A 37 -6.255 0.327 8.733 1.00 0.00 O ATOM 530 CB ARG A 37 -6.312 -3.012 7.861 1.00 0.00 C ATOM 531 CG ARG A 37 -5.876 -3.217 9.302 1.00 0.00 C ATOM 532 CD ARG A 37 -5.578 -4.679 9.592 1.00 0.00 C ATOM 533 NE ARG A 37 -6.760 -5.394 10.070 1.00 0.00 N ATOM 534 CZ ARG A 37 -7.585 -6.062 9.273 1.00 0.00 C ATOM 535 NH1 ARG A 37 -7.360 -6.108 7.967 1.00 0.00 N ATOM 536 NH2 ARG A 37 -8.639 -6.688 9.782 1.00 0.00 N ATOM 0 H ARG A 37 -4.138 -1.658 8.236 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.336 -1.553 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.381 -3.211 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.804 -3.741 7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.989 -2.617 9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.659 -2.864 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.205 -5.159 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.787 -4.747 10.339 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.962 -5.379 11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.551 -5.629 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.996 -6.622 7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.815 -6.656 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.273 -7.201 9.169 1.00 0.00 H new ATOM 550 N TYR A 38 -8.145 -0.724 8.114 1.00 0.00 N ATOM 551 CA TYR A 38 -9.020 0.194 8.832 1.00 0.00 C ATOM 552 C TYR A 38 -9.372 -0.355 10.212 1.00 0.00 C ATOM 553 O TYR A 38 -9.495 -1.567 10.397 1.00 0.00 O ATOM 554 CB TYR A 38 -10.299 0.445 8.031 1.00 0.00 C ATOM 555 CG TYR A 38 -10.055 1.110 6.695 1.00 0.00 C ATOM 556 CD1 TYR A 38 -10.014 2.493 6.581 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.864 0.353 5.545 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.793 3.104 5.362 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.640 0.955 4.322 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.606 2.331 4.236 1.00 0.00 C ATOM 561 OH TYR A 38 -9.384 2.935 3.020 1.00 0.00 O ATOM 0 H TYR A 38 -8.632 -1.469 7.617 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.488 1.137 8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.808 -0.505 7.867 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.971 1.069 8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.157 3.102 7.461 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.891 -0.725 5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.767 4.181 5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.492 0.352 3.438 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.596 2.536 2.596 1.00 0.00 H new ATOM 571 N ASP A 39 -9.531 0.544 11.176 1.00 0.00 N ATOM 572 CA ASP A 39 -9.870 0.151 12.539 1.00 0.00 C ATOM 573 C ASP A 39 -11.213 0.742 12.957 1.00 0.00 C ATOM 574 O ASP A 39 -11.545 0.781 14.140 1.00 0.00 O ATOM 575 CB ASP A 39 -8.777 0.603 13.509 1.00 0.00 C ATOM 576 CG ASP A 39 -8.883 -0.079 14.859 1.00 0.00 C ATOM 577 OD1 ASP A 39 -8.529 -1.273 14.951 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.321 0.582 15.824 1.00 0.00 O ATOM 0 H ASP A 39 -9.431 1.550 11.040 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.946 -0.936 12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.800 0.392 13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.839 1.683 13.645 1.00 0.00 H new ATOM 583 N GLY A 40 -11.983 1.202 11.975 1.00 0.00 N ATOM 584 CA GLY A 40 -13.281 1.785 12.261 1.00 0.00 C ATOM 585 C GLY A 40 -13.551 3.029 11.438 1.00 0.00 C ATOM 586 O GLY A 40 -14.152 2.954 10.367 1.00 0.00 O ATOM 0 H GLY A 40 -11.731 1.181 10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.059 1.047 12.064 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.339 2.034 13.321 1.00 0.00 H new ATOM 590 N ALA A 41 -13.107 4.176 11.940 1.00 0.00 N ATOM 591 CA ALA A 41 -13.304 5.443 11.243 1.00 0.00 C ATOM 592 C ALA A 41 -11.970 6.101 10.912 1.00 0.00 C ATOM 593 O ALA A 41 -11.904 7.304 10.662 1.00 0.00 O ATOM 594 CB ALA A 41 -14.163 6.378 12.082 1.00 0.00 C ATOM 0 H ALA A 41 -12.609 4.255 12.826 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.819 5.237 10.305 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.302 7.319 11.550 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.134 5.916 12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.669 6.569 13.035 1.00 0.00 H new ATOM 600 N THR A 42 -10.906 5.303 10.913 1.00 0.00 N ATOM 601 CA THR A 42 -9.571 5.809 10.615 1.00 0.00 C ATOM 602 C THR A 42 -8.642 4.683 10.175 1.00 0.00 C ATOM 603 O THR A 42 -8.795 3.538 10.603 1.00 0.00 O ATOM 604 CB THR A 42 -8.955 6.522 11.832 1.00 0.00 C ATOM 605 OG1 THR A 42 -9.855 7.523 12.321 1.00 0.00 O ATOM 606 CG2 THR A 42 -7.625 7.163 11.468 1.00 0.00 C ATOM 0 H THR A 42 -10.943 4.304 11.117 1.00 0.00 H new ATOM 0 HA THR A 42 -9.680 6.526 9.801 1.00 0.00 H new ATOM 0 HB THR A 42 -8.781 5.779 12.610 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.455 7.805 11.599 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.209 7.661 12.344 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.933 6.394 11.124 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.779 7.894 10.674 1.00 0.00 H new ATOM 614 N ILE A 43 -7.681 5.015 9.321 1.00 0.00 N ATOM 615 CA ILE A 43 -6.727 4.031 8.825 1.00 0.00 C ATOM 616 C ILE A 43 -5.610 3.792 9.835 1.00 0.00 C ATOM 617 O ILE A 43 -5.091 4.733 10.438 1.00 0.00 O ATOM 618 CB ILE A 43 -6.107 4.472 7.486 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.205 4.874 6.500 1.00 0.00 C ATOM 620 CG2 ILE A 43 -5.250 3.357 6.907 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.769 5.929 5.507 1.00 0.00 C ATOM 0 H ILE A 43 -7.542 5.958 8.958 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.280 3.105 8.672 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.470 5.338 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.535 3.989 5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.065 5.245 7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.819 3.684 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.450 3.113 7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.867 2.474 6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.598 6.165 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.466 6.829 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.928 5.554 4.923 1.00 0.00 H new ATOM 633 N VAL A 44 -5.242 2.527 10.015 1.00 0.00 N ATOM 634 CA VAL A 44 -4.183 2.165 10.950 1.00 0.00 C ATOM 635 C VAL A 44 -3.408 0.947 10.457 1.00 0.00 C ATOM 636 O VAL A 44 -3.938 0.085 9.756 1.00 0.00 O ATOM 637 CB VAL A 44 -4.749 1.867 12.351 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.640 3.007 12.820 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.511 0.550 12.348 1.00 0.00 C ATOM 0 H VAL A 44 -5.661 1.736 9.526 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.510 3.020 11.013 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.917 1.777 13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.031 2.779 13.812 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.060 3.929 12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.469 3.131 12.123 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.904 0.355 13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.336 0.609 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.840 -0.258 12.058 1.00 0.00 H new ATOM 649 N PRO A 45 -2.123 0.873 10.832 1.00 0.00 N ATOM 650 CA PRO A 45 -1.245 -0.235 10.441 1.00 0.00 C ATOM 651 C PRO A 45 -1.853 -1.595 10.765 1.00 0.00 C ATOM 652 O PRO A 45 -2.383 -1.807 11.855 1.00 0.00 O ATOM 653 CB PRO A 45 0.016 -0.001 11.276 1.00 0.00 C ATOM 654 CG PRO A 45 0.019 1.461 11.556 1.00 0.00 C ATOM 655 CD PRO A 45 -1.425 1.866 11.668 1.00 0.00 C ATOM 0 HA PRO A 45 -1.063 -0.252 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.007 -0.581 12.199 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.912 -0.302 10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.558 1.680 12.478 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.517 2.010 10.757 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.772 1.837 12.701 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.587 2.881 11.306 1.00 0.00 H new ATOM 663 N GLY A 46 -1.771 -2.516 9.808 1.00 0.00 N ATOM 664 CA GLY A 46 -2.317 -3.846 10.012 1.00 0.00 C ATOM 665 C GLY A 46 -1.270 -4.835 10.484 1.00 0.00 C ATOM 666 O GLY A 46 -1.184 -5.137 11.674 1.00 0.00 O ATOM 0 H GLY A 46 -1.337 -2.365 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.122 -3.797 10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.755 -4.203 9.080 1.00 0.00 H new ATOM 670 N ASP A 47 -0.475 -5.345 9.549 1.00 0.00 N ATOM 671 CA ASP A 47 0.571 -6.307 9.876 1.00 0.00 C ATOM 672 C ASP A 47 1.938 -5.794 9.436 1.00 0.00 C ATOM 673 O ASP A 47 2.045 -4.733 8.821 1.00 0.00 O ATOM 674 CB ASP A 47 0.279 -7.654 9.213 1.00 0.00 C ATOM 675 CG ASP A 47 -0.743 -8.468 9.981 1.00 0.00 C ATOM 676 OD1 ASP A 47 -1.953 -8.280 9.741 1.00 0.00 O ATOM 677 OD2 ASP A 47 -0.331 -9.295 10.823 1.00 0.00 O ATOM 0 H ASP A 47 -0.535 -5.108 8.559 1.00 0.00 H new ATOM 0 HA ASP A 47 0.584 -6.439 10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.083 -7.485 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.205 -8.223 9.131 1.00 0.00 H new ATOM 682 N GLN A 48 2.980 -6.554 9.755 1.00 0.00 N ATOM 683 CA GLN A 48 4.341 -6.175 9.393 1.00 0.00 C ATOM 684 C GLN A 48 5.245 -7.401 9.312 1.00 0.00 C ATOM 685 O GLN A 48 4.923 -8.458 9.853 1.00 0.00 O ATOM 686 CB GLN A 48 4.903 -5.180 10.410 1.00 0.00 C ATOM 687 CG GLN A 48 4.733 -3.728 9.996 1.00 0.00 C ATOM 688 CD GLN A 48 4.594 -2.795 11.184 1.00 0.00 C ATOM 689 OE1 GLN A 48 3.539 -2.198 11.399 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.661 -2.665 11.965 1.00 0.00 N ATOM 0 H GLN A 48 2.908 -7.436 10.263 1.00 0.00 H new ATOM 0 HA GLN A 48 4.310 -5.703 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.410 -5.336 11.369 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.963 -5.385 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.591 -3.422 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.852 -3.636 9.361 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.516 -3.178 11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.625 -2.052 12.779 1.00 0.00 H new ATOM 699 N GLY A 49 6.377 -7.253 8.631 1.00 0.00 N ATOM 700 CA GLY A 49 7.309 -8.356 8.491 1.00 0.00 C ATOM 701 C GLY A 49 8.262 -8.166 7.328 1.00 0.00 C ATOM 702 O GLY A 49 8.055 -7.295 6.483 1.00 0.00 O ATOM 0 H GLY A 49 6.665 -6.388 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.882 -8.463 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.752 -9.283 8.353 1.00 0.00 H new ATOM 706 N ALA A 50 9.309 -8.983 7.284 1.00 0.00 N ATOM 707 CA ALA A 50 10.298 -8.900 6.216 1.00 0.00 C ATOM 708 C ALA A 50 9.967 -9.869 5.086 1.00 0.00 C ATOM 709 O ALA A 50 10.440 -9.710 3.960 1.00 0.00 O ATOM 710 CB ALA A 50 11.690 -9.178 6.762 1.00 0.00 C ATOM 0 H ALA A 50 9.494 -9.710 7.975 1.00 0.00 H new ATOM 0 HA ALA A 50 10.275 -7.888 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.418 -9.113 5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.933 -8.443 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.718 -10.178 7.195 1.00 0.00 H new ATOM 716 N ASP A 51 9.154 -10.874 5.394 1.00 0.00 N ATOM 717 CA ASP A 51 8.760 -11.870 4.404 1.00 0.00 C ATOM 718 C ASP A 51 7.620 -11.350 3.534 1.00 0.00 C ATOM 719 O ASP A 51 6.465 -11.321 3.959 1.00 0.00 O ATOM 720 CB ASP A 51 8.340 -13.168 5.094 1.00 0.00 C ATOM 721 CG ASP A 51 9.521 -14.067 5.405 1.00 0.00 C ATOM 722 OD1 ASP A 51 10.411 -14.197 4.540 1.00 0.00 O ATOM 723 OD2 ASP A 51 9.554 -14.640 6.514 1.00 0.00 O ATOM 0 H ASP A 51 8.755 -11.020 6.321 1.00 0.00 H new ATOM 0 HA ASP A 51 9.620 -12.070 3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.814 -12.931 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.637 -13.704 4.456 1.00 0.00 H new ATOM 728 N TYR A 52 7.953 -10.938 2.316 1.00 0.00 N ATOM 729 CA TYR A 52 6.957 -10.416 1.387 1.00 0.00 C ATOM 730 C TYR A 52 5.812 -11.406 1.201 1.00 0.00 C ATOM 731 O TYR A 52 4.678 -11.015 0.927 1.00 0.00 O ATOM 732 CB TYR A 52 7.603 -10.106 0.035 1.00 0.00 C ATOM 733 CG TYR A 52 6.729 -9.275 -0.877 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.557 -9.795 -1.412 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.075 -7.968 -1.203 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.756 -9.039 -2.247 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.279 -7.206 -2.036 1.00 0.00 C ATOM 738 CZ TYR A 52 5.122 -7.745 -2.555 1.00 0.00 C ATOM 739 OH TYR A 52 4.325 -6.989 -3.384 1.00 0.00 O ATOM 0 H TYR A 52 8.904 -10.955 1.949 1.00 0.00 H new ATOM 0 HA TYR A 52 6.552 -9.496 1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.543 -9.580 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.848 -11.043 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.267 -10.807 -1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.981 -7.542 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.849 -9.459 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.562 -6.193 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 52 3.863 -7.576 -4.018 1.00 0.00 H new ATOM 749 N GLN A 53 6.119 -12.690 1.353 1.00 0.00 N ATOM 750 CA GLN A 53 5.116 -13.738 1.202 1.00 0.00 C ATOM 751 C GLN A 53 4.067 -13.650 2.305 1.00 0.00 C ATOM 752 O GLN A 53 2.891 -13.940 2.081 1.00 0.00 O ATOM 753 CB GLN A 53 5.781 -15.115 1.223 1.00 0.00 C ATOM 754 CG GLN A 53 6.820 -15.308 0.131 1.00 0.00 C ATOM 755 CD GLN A 53 6.196 -15.543 -1.232 1.00 0.00 C ATOM 756 OE1 GLN A 53 6.156 -16.672 -1.722 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.705 -14.476 -1.851 1.00 0.00 N ATOM 0 H GLN A 53 7.053 -13.030 1.580 1.00 0.00 H new ATOM 0 HA GLN A 53 4.620 -13.596 0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.254 -15.265 2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.013 -15.881 1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.462 -14.428 0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.457 -16.155 0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.760 -13.559 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.273 -14.573 -2.770 1.00 0.00 H new ATOM 766 N HIS A 54 4.498 -13.247 3.496 1.00 0.00 N ATOM 767 CA HIS A 54 3.595 -13.120 4.634 1.00 0.00 C ATOM 768 C HIS A 54 2.567 -12.020 4.392 1.00 0.00 C ATOM 769 O HIS A 54 1.429 -12.105 4.854 1.00 0.00 O ATOM 770 CB HIS A 54 4.385 -12.825 5.909 1.00 0.00 C ATOM 771 CG HIS A 54 4.802 -14.054 6.655 1.00 0.00 C ATOM 772 ND1 HIS A 54 4.754 -15.361 6.304 1.00 0.00 N flip ATOM 773 CD2 HIS A 54 5.343 -14.020 7.922 1.00 0.00 C flip ATOM 774 CE1 HIS A 54 5.262 -16.084 7.355 1.00 0.00 C flip ATOM 775 NE2 HIS A 54 5.611 -15.251 8.319 1.00 0.00 N flip ATOM 0 H HIS A 54 5.467 -13.003 3.698 1.00 0.00 H new ATOM 0 HA HIS A 54 3.067 -14.066 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.273 -12.248 5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.779 -12.200 6.565 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.520 -13.126 8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.360 -17.159 7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.018 -15.514 9.217 1.00 0.00 H new ATOM 784 N PHE A 55 2.976 -10.985 3.664 1.00 0.00 N ATOM 785 CA PHE A 55 2.091 -9.866 3.362 1.00 0.00 C ATOM 786 C PHE A 55 0.940 -10.310 2.464 1.00 0.00 C ATOM 787 O PHE A 55 -0.206 -9.902 2.658 1.00 0.00 O ATOM 788 CB PHE A 55 2.873 -8.737 2.686 1.00 0.00 C ATOM 789 CG PHE A 55 2.123 -8.076 1.565 1.00 0.00 C ATOM 790 CD1 PHE A 55 1.026 -7.272 1.827 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.517 -8.258 0.249 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.334 -6.663 0.798 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.829 -7.651 -0.786 1.00 0.00 C ATOM 794 CZ PHE A 55 0.737 -6.852 -0.510 1.00 0.00 C ATOM 0 H PHE A 55 3.914 -10.899 3.273 1.00 0.00 H new ATOM 0 HA PHE A 55 1.676 -9.500 4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.130 -7.986 3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.811 -9.136 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.708 -7.119 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.371 -8.881 0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.521 -6.040 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.145 -7.802 -1.808 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.199 -6.375 -1.316 1.00 0.00 H new ATOM 804 N ILE A 56 1.252 -11.148 1.481 1.00 0.00 N ATOM 805 CA ILE A 56 0.245 -11.648 0.555 1.00 0.00 C ATOM 806 C ILE A 56 -0.720 -12.601 1.253 1.00 0.00 C ATOM 807 O ILE A 56 -1.833 -12.828 0.781 1.00 0.00 O ATOM 808 CB ILE A 56 0.891 -12.374 -0.640 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.830 -11.428 -1.392 1.00 0.00 C ATOM 810 CG2 ILE A 56 -0.183 -12.915 -1.574 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.730 -12.133 -2.383 1.00 0.00 C ATOM 0 H ILE A 56 2.195 -11.495 1.306 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.306 -10.781 0.189 1.00 0.00 H new ATOM 0 HB ILE A 56 1.476 -13.214 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.235 -10.682 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.447 -10.892 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.289 -13.425 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.817 -13.617 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.791 -12.090 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.368 -11.402 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.351 -12.859 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.121 -12.647 -3.127 1.00 0.00 H new ATOM 823 N GLN A 57 -0.284 -13.155 2.380 1.00 0.00 N ATOM 824 CA GLN A 57 -1.110 -14.082 3.144 1.00 0.00 C ATOM 825 C GLN A 57 -2.161 -13.332 3.956 1.00 0.00 C ATOM 826 O GLN A 57 -2.947 -13.941 4.681 1.00 0.00 O ATOM 827 CB GLN A 57 -0.238 -14.928 4.073 1.00 0.00 C ATOM 828 CG GLN A 57 0.290 -16.197 3.425 1.00 0.00 C ATOM 829 CD GLN A 57 1.784 -16.144 3.170 1.00 0.00 C ATOM 830 OE1 GLN A 57 2.171 -16.203 1.902 1.00 0.00 O flip ATOM 831 NE2 GLN A 57 2.581 -16.052 4.104 1.00 0.00 N flip ATOM 0 H GLN A 57 0.636 -12.978 2.784 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.622 -14.739 2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.605 -14.327 4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.817 -15.195 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.065 -17.049 4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.230 -16.362 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.239 -16.010 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.583 -16.018 3.918 1.00 0.00 H new ATOM 840 N GLN A 58 -2.170 -12.010 3.828 1.00 0.00 N ATOM 841 CA GLN A 58 -3.124 -11.179 4.551 1.00 0.00 C ATOM 842 C GLN A 58 -4.179 -10.614 3.607 1.00 0.00 C ATOM 843 O GLN A 58 -5.326 -10.397 4.000 1.00 0.00 O ATOM 844 CB GLN A 58 -2.399 -10.037 5.266 1.00 0.00 C ATOM 845 CG GLN A 58 -1.013 -10.413 5.763 1.00 0.00 C ATOM 846 CD GLN A 58 -1.033 -10.985 7.167 1.00 0.00 C ATOM 847 OE1 GLN A 58 -1.935 -10.698 7.954 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.035 -11.801 7.488 1.00 0.00 N ATOM 0 H GLN A 58 -1.527 -11.491 3.230 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.623 -11.804 5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.314 -9.189 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.002 -9.708 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.573 -11.143 5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.372 -9.532 5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.692 -12.011 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.004 -12.217 8.418 1.00 0.00 H new ATOM 857 N CYS A 59 -3.786 -10.379 2.360 1.00 0.00 N ATOM 858 CA CYS A 59 -4.698 -9.837 1.359 1.00 0.00 C ATOM 859 C CYS A 59 -5.631 -10.922 0.831 1.00 0.00 C ATOM 860 O CYS A 59 -5.187 -11.901 0.230 1.00 0.00 O ATOM 861 CB CYS A 59 -3.911 -9.219 0.202 1.00 0.00 C ATOM 862 SG CYS A 59 -2.718 -7.959 0.712 1.00 0.00 S ATOM 0 H CYS A 59 -2.841 -10.555 2.018 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.300 -9.063 1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.383 -10.011 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.612 -8.775 -0.505 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.557 -8.224 0.190 1.00 0.00 H new ATOM 868 N THR A 60 -6.928 -10.744 1.061 1.00 0.00 N ATOM 869 CA THR A 60 -7.925 -11.708 0.613 1.00 0.00 C ATOM 870 C THR A 60 -9.088 -11.013 -0.086 1.00 0.00 C ATOM 871 O THR A 60 -9.200 -9.787 -0.053 1.00 0.00 O ATOM 872 CB THR A 60 -8.470 -12.541 1.789 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.255 -11.711 2.653 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.333 -13.173 2.577 1.00 0.00 C ATOM 0 H THR A 60 -7.313 -9.939 1.556 1.00 0.00 H new ATOM 0 HA THR A 60 -7.427 -12.373 -0.093 1.00 0.00 H new ATOM 0 HB THR A 60 -9.095 -13.337 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.863 -11.711 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.742 -13.756 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.756 -13.826 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.685 -12.390 2.972 1.00 0.00 H new ATOM 882 N ASP A 61 -9.951 -11.802 -0.715 1.00 0.00 N ATOM 883 CA ASP A 61 -11.108 -11.262 -1.420 1.00 0.00 C ATOM 884 C ASP A 61 -12.164 -10.772 -0.435 1.00 0.00 C ATOM 885 O ASP A 61 -13.238 -10.321 -0.834 1.00 0.00 O ATOM 886 CB ASP A 61 -11.708 -12.321 -2.347 1.00 0.00 C ATOM 887 CG ASP A 61 -10.891 -12.515 -3.608 1.00 0.00 C ATOM 888 OD1 ASP A 61 -9.697 -12.147 -3.606 1.00 0.00 O ATOM 889 OD2 ASP A 61 -11.445 -13.036 -4.600 1.00 0.00 O ATOM 0 H ASP A 61 -9.872 -12.818 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.775 -10.414 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.778 -13.269 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.724 -12.031 -2.616 1.00 0.00 H new ATOM 894 N ASP A 62 -11.854 -10.866 0.854 1.00 0.00 N ATOM 895 CA ASP A 62 -12.776 -10.433 1.897 1.00 0.00 C ATOM 896 C ASP A 62 -12.156 -9.329 2.746 1.00 0.00 C ATOM 897 O ASP A 62 -12.604 -9.065 3.863 1.00 0.00 O ATOM 898 CB ASP A 62 -13.170 -11.616 2.782 1.00 0.00 C ATOM 899 CG ASP A 62 -13.622 -12.818 1.976 1.00 0.00 C ATOM 900 OD1 ASP A 62 -14.315 -12.621 0.956 1.00 0.00 O ATOM 901 OD2 ASP A 62 -13.283 -13.955 2.365 1.00 0.00 O ATOM 0 H ASP A 62 -10.970 -11.239 1.201 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.670 -10.036 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.321 -11.898 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.972 -11.311 3.455 1.00 0.00 H new ATOM 906 N VAL A 63 -11.122 -8.688 2.212 1.00 0.00 N ATOM 907 CA VAL A 63 -10.439 -7.612 2.922 1.00 0.00 C ATOM 908 C VAL A 63 -9.697 -6.699 1.953 1.00 0.00 C ATOM 909 O VAL A 63 -9.251 -7.134 0.891 1.00 0.00 O ATOM 910 CB VAL A 63 -9.440 -8.167 3.954 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.397 -9.039 3.273 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.778 -7.030 4.719 1.00 0.00 C ATOM 0 H VAL A 63 -10.738 -8.895 1.290 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.206 -7.038 3.442 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.986 -8.785 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.700 -9.422 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.890 -9.874 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.852 -8.447 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.075 -7.440 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.244 -6.384 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.540 -6.450 5.240 1.00 0.00 H new ATOM 922 N ARG A 64 -9.570 -5.429 2.325 1.00 0.00 N ATOM 923 CA ARG A 64 -8.883 -4.453 1.489 1.00 0.00 C ATOM 924 C ARG A 64 -8.102 -3.458 2.343 1.00 0.00 C ATOM 925 O ARG A 64 -8.628 -2.909 3.311 1.00 0.00 O ATOM 926 CB ARG A 64 -9.887 -3.708 0.608 1.00 0.00 C ATOM 927 CG ARG A 64 -10.937 -2.942 1.396 1.00 0.00 C ATOM 928 CD ARG A 64 -12.090 -3.844 1.811 1.00 0.00 C ATOM 929 NE ARG A 64 -12.829 -3.300 2.946 1.00 0.00 N ATOM 930 CZ ARG A 64 -13.523 -4.047 3.798 1.00 0.00 C ATOM 931 NH1 ARG A 64 -13.571 -5.364 3.643 1.00 0.00 N ATOM 932 NH2 ARG A 64 -14.170 -3.478 4.807 1.00 0.00 N ATOM 0 H ARG A 64 -9.934 -5.053 3.200 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.179 -4.989 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.348 -3.012 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.386 -4.424 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.480 -2.503 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.317 -2.118 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.768 -3.977 0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.704 -4.830 2.069 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.812 -2.291 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.075 -5.805 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.104 -5.936 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.135 -2.466 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.702 -4.053 5.460 1.00 0.00 H new ATOM 946 N LEU A 65 -6.845 -3.232 1.978 1.00 0.00 N ATOM 947 CA LEU A 65 -5.991 -2.304 2.712 1.00 0.00 C ATOM 948 C LEU A 65 -4.733 -1.976 1.914 1.00 0.00 C ATOM 949 O LEU A 65 -4.465 -2.585 0.878 1.00 0.00 O ATOM 950 CB LEU A 65 -5.609 -2.896 4.070 1.00 0.00 C ATOM 951 CG LEU A 65 -5.067 -4.325 4.024 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.137 -5.285 3.527 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.831 -4.399 3.141 1.00 0.00 C ATOM 0 H LEU A 65 -6.394 -3.678 1.179 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.550 -1.381 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.859 -2.254 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.486 -2.877 4.717 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.784 -4.619 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.734 -6.297 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.995 -5.253 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.450 -4.993 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.459 -5.423 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.088 -4.086 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.059 -3.741 3.540 1.00 0.00 H new ATOM 965 N PHE A 66 -3.965 -1.009 2.404 1.00 0.00 N ATOM 966 CA PHE A 66 -2.735 -0.598 1.736 1.00 0.00 C ATOM 967 C PHE A 66 -1.564 -1.480 2.160 1.00 0.00 C ATOM 968 O PHE A 66 -1.586 -2.085 3.232 1.00 0.00 O ATOM 969 CB PHE A 66 -2.424 0.866 2.051 1.00 0.00 C ATOM 970 CG PHE A 66 -3.607 1.779 1.893 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.557 1.883 2.896 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.769 2.530 0.740 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.647 2.721 2.752 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.857 3.370 0.591 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.797 3.466 1.599 1.00 0.00 C ATOM 0 H PHE A 66 -4.172 -0.495 3.261 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.880 -0.709 0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.054 0.938 3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.622 1.207 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.445 1.303 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.037 2.458 -0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.381 2.793 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.972 3.951 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.647 4.122 1.485 1.00 0.00 H new ATOM 985 N ALA A 67 -0.545 -1.548 1.312 1.00 0.00 N ATOM 986 CA ALA A 67 0.636 -2.355 1.599 1.00 0.00 C ATOM 987 C ALA A 67 1.897 -1.696 1.051 1.00 0.00 C ATOM 988 O ALA A 67 2.188 -1.783 -0.142 1.00 0.00 O ATOM 989 CB ALA A 67 0.473 -3.752 1.018 1.00 0.00 C ATOM 0 H ALA A 67 -0.512 -1.054 0.420 1.00 0.00 H new ATOM 0 HA ALA A 67 0.739 -2.433 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.361 -4.344 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.401 -4.230 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.342 -3.684 -0.062 1.00 0.00 H new ATOM 995 N PHE A 68 2.644 -1.037 1.931 1.00 0.00 N ATOM 996 CA PHE A 68 3.874 -0.361 1.535 1.00 0.00 C ATOM 997 C PHE A 68 5.067 -1.308 1.623 1.00 0.00 C ATOM 998 O PHE A 68 5.417 -1.784 2.704 1.00 0.00 O ATOM 999 CB PHE A 68 4.115 0.865 2.419 1.00 0.00 C ATOM 1000 CG PHE A 68 5.459 1.499 2.209 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.605 0.908 2.715 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.578 2.688 1.508 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.845 1.490 2.524 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.814 3.274 1.313 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.949 2.675 1.824 1.00 0.00 C ATOM 0 H PHE A 68 2.419 -0.957 2.923 1.00 0.00 H new ATOM 0 HA PHE A 68 3.764 -0.038 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.339 1.604 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.019 0.574 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.529 -0.018 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.694 3.163 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.731 1.018 2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.893 4.199 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.916 3.133 1.676 1.00 0.00 H new ATOM 1015 N VAL A 69 5.687 -1.577 0.479 1.00 0.00 N ATOM 1016 CA VAL A 69 6.841 -2.467 0.426 1.00 0.00 C ATOM 1017 C VAL A 69 8.067 -1.745 -0.123 1.00 0.00 C ATOM 1018 O VAL A 69 7.949 -0.845 -0.954 1.00 0.00 O ATOM 1019 CB VAL A 69 6.555 -3.706 -0.444 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.807 -4.558 -0.586 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.412 -4.517 0.144 1.00 0.00 C ATOM 0 H VAL A 69 5.410 -1.192 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 69 7.040 -2.789 1.448 1.00 0.00 H new ATOM 0 HB VAL A 69 6.258 -3.371 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.586 -5.429 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.596 -3.970 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.137 -4.886 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.224 -5.388 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.678 -4.844 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.514 -3.901 0.188 1.00 0.00 H new ATOM 1031 N ARG A 70 9.243 -2.146 0.348 1.00 0.00 N ATOM 1032 CA ARG A 70 10.491 -1.537 -0.095 1.00 0.00 C ATOM 1033 C ARG A 70 11.019 -2.229 -1.348 1.00 0.00 C ATOM 1034 O ARG A 70 11.203 -3.446 -1.368 1.00 0.00 O ATOM 1035 CB ARG A 70 11.539 -1.603 1.016 1.00 0.00 C ATOM 1036 CG ARG A 70 12.945 -1.267 0.549 1.00 0.00 C ATOM 1037 CD ARG A 70 13.959 -1.424 1.673 1.00 0.00 C ATOM 1038 NE ARG A 70 15.311 -1.082 1.242 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.409 -1.552 1.823 1.00 0.00 C ATOM 1040 NH1 ARG A 70 16.315 -2.381 2.854 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.605 -1.194 1.373 1.00 0.00 N ATOM 0 H ARG A 70 9.358 -2.890 1.036 1.00 0.00 H new ATOM 0 HA ARG A 70 10.291 -0.493 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.256 -0.914 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.538 -2.605 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.218 -1.917 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.970 -0.243 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.674 -0.787 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.943 -2.452 2.035 1.00 0.00 H new ATOM 0 HE ARG A 70 15.418 -0.447 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.398 -2.659 3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.160 -2.740 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.682 -0.557 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.447 -1.556 1.820 1.00 0.00 H new ATOM 1239 N PHE A 83 10.226 1.961 -3.214 1.00 0.00 N ATOM 1240 CA PHE A 83 9.045 1.481 -2.505 1.00 0.00 C ATOM 1241 C PHE A 83 7.798 1.611 -3.376 1.00 0.00 C ATOM 1242 O PHE A 83 7.885 1.949 -4.556 1.00 0.00 O ATOM 1243 CB PHE A 83 8.854 2.262 -1.203 1.00 0.00 C ATOM 1244 CG PHE A 83 10.116 2.407 -0.402 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.060 3.363 -0.737 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.358 1.586 0.689 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.222 3.500 -0.001 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.518 1.719 1.429 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.451 2.675 1.083 1.00 0.00 C ATOM 0 HA PHE A 83 9.195 0.427 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.465 3.253 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.102 1.760 -0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.886 4.010 -1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.632 0.835 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.949 4.251 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.694 1.075 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.359 2.778 1.659 1.00 0.00 H new ATOM 1259 N ALA A 84 6.639 1.338 -2.785 1.00 0.00 N ATOM 1260 CA ALA A 84 5.376 1.425 -3.504 1.00 0.00 C ATOM 1261 C ALA A 84 4.202 1.069 -2.597 1.00 0.00 C ATOM 1262 O ALA A 84 4.225 0.050 -1.907 1.00 0.00 O ATOM 1263 CB ALA A 84 5.398 0.514 -4.723 1.00 0.00 C ATOM 0 H ALA A 84 6.550 1.055 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 84 5.246 2.455 -3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.447 0.589 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.207 0.816 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.555 -0.516 -4.404 1.00 0.00 H new ATOM 1269 N LEU A 85 3.177 1.914 -2.604 1.00 0.00 N ATOM 1270 CA LEU A 85 1.994 1.689 -1.780 1.00 0.00 C ATOM 1271 C LEU A 85 1.010 0.761 -2.486 1.00 0.00 C ATOM 1272 O LEU A 85 0.154 1.212 -3.247 1.00 0.00 O ATOM 1273 CB LEU A 85 1.314 3.021 -1.454 1.00 0.00 C ATOM 1274 CG LEU A 85 0.560 3.052 -0.125 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.478 2.658 1.021 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.035 4.431 0.118 1.00 0.00 C ATOM 0 H LEU A 85 3.141 2.761 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 85 2.311 1.215 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.071 3.805 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.616 3.262 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.254 2.329 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.922 2.686 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.857 1.650 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.314 3.355 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.568 4.435 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.764 5.172 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.728 4.676 -0.687 1.00 0.00 H new ATOM 1288 N ILE A 86 1.138 -0.535 -2.226 1.00 0.00 N ATOM 1289 CA ILE A 86 0.259 -1.527 -2.833 1.00 0.00 C ATOM 1290 C ILE A 86 -1.113 -1.527 -2.168 1.00 0.00 C ATOM 1291 O ILE A 86 -1.282 -2.050 -1.067 1.00 0.00 O ATOM 1292 CB ILE A 86 0.861 -2.942 -2.745 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.155 -3.022 -3.558 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.143 -3.975 -3.235 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.104 -4.097 -3.078 1.00 0.00 C ATOM 0 H ILE A 86 1.842 -0.923 -1.599 1.00 0.00 H new ATOM 0 HA ILE A 86 0.151 -1.252 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 86 1.096 -3.157 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.907 -3.208 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.661 -2.057 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.296 -4.970 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.040 -3.932 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.405 -3.764 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.999 -4.096 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.382 -3.901 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.616 -5.069 -3.145 1.00 0.00 H new ATOM 1307 N THR A 87 -2.093 -0.937 -2.846 1.00 0.00 N ATOM 1308 CA THR A 87 -3.452 -0.870 -2.322 1.00 0.00 C ATOM 1309 C THR A 87 -4.246 -2.117 -2.694 1.00 0.00 C ATOM 1310 O THR A 87 -4.699 -2.259 -3.830 1.00 0.00 O ATOM 1311 CB THR A 87 -4.194 0.374 -2.845 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.767 1.537 -2.127 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.699 0.207 -2.700 1.00 0.00 C ATOM 0 H THR A 87 -1.971 -0.499 -3.759 1.00 0.00 H new ATOM 0 HA THR A 87 -3.371 -0.805 -1.237 1.00 0.00 H new ATOM 0 HB THR A 87 -3.958 0.493 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.003 1.442 -1.180 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.202 1.098 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.025 -0.662 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.950 0.065 -1.649 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.414 -3.014 -1.730 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.157 -4.249 -1.958 1.00 0.00 C ATOM 1323 C TRP A 88 -6.656 -4.017 -1.811 1.00 0.00 C ATOM 1324 O TRP A 88 -7.093 -3.233 -0.968 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.698 -5.332 -0.980 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.551 -6.564 -1.014 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.286 -7.080 0.013 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.752 -7.435 -2.133 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.935 -8.220 -0.399 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.624 -8.459 -1.711 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.283 -7.449 -3.449 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.033 -9.483 -2.561 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.690 -8.467 -4.290 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.558 -9.472 -3.844 1.00 0.00 C ATOM 0 H TRP A 88 -4.047 -2.910 -0.784 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.958 -4.581 -2.977 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.668 -5.606 -1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.702 -4.924 0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.349 -6.655 1.004 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.549 -8.794 0.179 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.614 -6.678 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.702 -10.259 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.333 -8.488 -5.309 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.858 -10.253 -4.526 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.441 -4.704 -2.637 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.892 -4.572 -2.597 1.00 0.00 C ATOM 1347 C ILE A 89 -9.572 -5.869 -3.021 1.00 0.00 C ATOM 1348 O ILE A 89 -9.687 -6.161 -4.211 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.378 -3.429 -3.505 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.715 -2.110 -3.102 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.893 -3.308 -3.440 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.950 -0.989 -4.090 1.00 0.00 C ATOM 0 H ILE A 89 -7.096 -5.357 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.161 -4.344 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.095 -3.657 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.091 -1.807 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.642 -2.270 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.221 -2.495 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.347 -4.242 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.198 -3.100 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.451 -0.085 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.548 -1.271 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.020 -0.802 -4.180 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.025 -6.643 -2.039 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.691 -7.898 -2.331 1.00 0.00 C ATOM 1366 C GLY A 90 -11.520 -7.834 -3.599 1.00 0.00 C ATOM 1367 O GLY A 90 -12.320 -6.917 -3.778 1.00 0.00 O ATOM 0 H GLY A 90 -9.942 -6.423 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.946 -8.687 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.334 -8.168 -1.493 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.326 -8.809 -4.482 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.061 -8.857 -5.740 1.00 0.00 C ATOM 1373 C GLU A 91 -13.516 -9.254 -5.505 1.00 0.00 C ATOM 1374 O GLU A 91 -14.291 -9.399 -6.451 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.400 -9.844 -6.705 1.00 0.00 C ATOM 1376 CG GLU A 91 -11.708 -9.565 -8.166 1.00 0.00 C ATOM 1377 CD GLU A 91 -12.959 -10.276 -8.645 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -13.106 -11.481 -8.351 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -13.790 -9.627 -9.314 1.00 0.00 O ATOM 0 H GLU A 91 -10.666 -9.576 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.041 -7.861 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.320 -9.815 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.728 -10.854 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.828 -8.491 -8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.861 -9.876 -8.778 1.00 0.00 H new ATOM 1386 N ASP A 92 -13.879 -9.429 -4.240 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.240 -9.809 -3.880 1.00 0.00 C ATOM 1388 C ASP A 92 -15.920 -8.701 -3.083 1.00 0.00 C ATOM 1389 O ASP A 92 -17.147 -8.606 -3.054 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.233 -11.106 -3.071 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.579 -11.805 -3.085 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.416 -11.499 -2.211 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -16.795 -12.657 -3.972 1.00 0.00 O ATOM 0 H ASP A 92 -13.250 -9.314 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.802 -9.968 -4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.474 -11.777 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.951 -10.887 -2.041 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.115 -7.866 -2.434 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.639 -6.765 -1.635 1.00 0.00 C ATOM 1400 C VAL A 93 -16.655 -5.947 -2.425 1.00 0.00 C ATOM 1401 O VAL A 93 -16.536 -5.799 -3.641 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.510 -5.834 -1.153 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.528 -6.595 -0.275 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.798 -5.202 -2.340 1.00 0.00 C ATOM 0 H VAL A 93 -14.097 -7.931 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.129 -7.208 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.951 -5.036 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.738 -5.921 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.051 -6.995 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.091 -7.415 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.004 -4.547 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.369 -5.985 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.511 -4.621 -2.925 1.00 0.00 H new ATOM 1414 N SER A 94 -17.653 -5.418 -1.725 1.00 0.00 N ATOM 1415 CA SER A 94 -18.693 -4.618 -2.362 1.00 0.00 C ATOM 1416 C SER A 94 -18.115 -3.319 -2.917 1.00 0.00 C ATOM 1417 O SER A 94 -17.248 -2.700 -2.302 1.00 0.00 O ATOM 1418 CB SER A 94 -19.810 -4.306 -1.364 1.00 0.00 C ATOM 1419 OG SER A 94 -20.313 -5.493 -0.774 1.00 0.00 O ATOM 0 H SER A 94 -17.764 -5.529 -0.717 1.00 0.00 H new ATOM 0 HA SER A 94 -19.105 -5.196 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.432 -3.642 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 94 -20.618 -3.777 -1.871 1.00 0.00 H new ATOM 0 HG SER A 94 -21.024 -5.267 -0.139 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.604 -2.913 -4.085 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.125 -1.692 -4.705 1.00 0.00 C ATOM 1427 C GLY A 95 -17.775 -0.625 -3.688 1.00 0.00 C ATOM 1428 O GLY A 95 -16.692 -0.043 -3.736 1.00 0.00 O ATOM 0 H GLY A 95 -19.323 -3.408 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.246 -1.916 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.888 -1.308 -5.382 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.695 -0.365 -2.764 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.478 0.642 -1.732 1.00 0.00 C ATOM 1434 C LEU A 96 -17.062 0.552 -1.171 1.00 0.00 C ATOM 1435 O LEU A 96 -16.252 1.458 -1.358 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.498 0.472 -0.603 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.762 1.729 0.226 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -21.115 1.640 0.915 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -18.654 1.936 1.248 1.00 0.00 C ATOM 0 H LEU A 96 -19.597 -0.838 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.607 1.625 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.441 0.135 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.151 -0.318 0.063 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.775 2.588 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.285 2.544 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -21.899 1.540 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.131 0.772 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.858 2.835 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.609 1.075 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.700 2.046 0.733 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.773 -0.548 -0.485 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.456 -0.757 0.103 1.00 0.00 C ATOM 1453 C GLN A 97 -14.357 -0.283 -0.841 1.00 0.00 C ATOM 1454 O GLN A 97 -13.430 0.416 -0.430 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.253 -2.235 0.440 1.00 0.00 C ATOM 1456 CG GLN A 97 -15.713 -2.609 1.840 1.00 0.00 C ATOM 1457 CD GLN A 97 -16.197 -4.043 1.931 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -15.483 -4.977 1.562 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -17.417 -4.227 2.423 1.00 0.00 N ATOM 0 H GLN A 97 -17.433 -1.308 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.399 -0.172 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.794 -2.842 -0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.196 -2.481 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.891 -2.462 2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.516 -1.938 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.975 -3.425 2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.796 -5.170 2.507 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.466 -0.667 -2.109 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.480 -0.282 -3.111 1.00 0.00 C ATOM 1470 C ARG A 98 -13.500 1.227 -3.342 1.00 0.00 C ATOM 1471 O ARG A 98 -12.451 1.864 -3.440 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.748 -1.014 -4.428 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.786 -0.636 -5.542 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.368 0.444 -6.439 1.00 0.00 C ATOM 1475 NE ARG A 98 -12.939 1.782 -6.038 1.00 0.00 N ATOM 1476 CZ ARG A 98 -13.213 2.881 -6.730 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.916 2.803 -7.852 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -12.787 4.061 -6.300 1.00 0.00 N ATOM 0 H ARG A 98 -15.227 -1.244 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.494 -0.563 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.687 -2.089 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.767 -0.801 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.848 -0.286 -5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.553 -1.519 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.065 0.260 -7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.456 0.389 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.399 1.877 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.247 1.897 -8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.126 3.649 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.248 4.125 -5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.998 4.905 -6.833 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.701 1.791 -3.429 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.856 3.224 -3.647 1.00 0.00 C ATOM 1494 C ALA A 99 -14.375 4.019 -2.438 1.00 0.00 C ATOM 1495 O ALA A 99 -14.177 5.232 -2.518 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.309 3.556 -3.954 1.00 0.00 C ATOM 0 H ALA A 99 -15.579 1.278 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.241 3.505 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.411 4.629 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.622 3.023 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.936 3.254 -3.116 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.187 3.328 -1.318 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.727 3.969 -0.091 1.00 0.00 C ATOM 1504 C LYS A 100 -12.221 3.806 0.075 1.00 0.00 C ATOM 1505 O LYS A 100 -11.523 4.743 0.466 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.452 3.377 1.120 1.00 0.00 C ATOM 1507 CG LYS A 100 -15.955 3.601 1.099 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.301 5.073 1.244 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.457 5.746 -0.111 1.00 0.00 C ATOM 1510 NZ LYS A 100 -17.864 5.698 -0.595 1.00 0.00 N ATOM 0 H LYS A 100 -14.346 2.324 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.954 5.033 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.253 2.306 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.040 3.815 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.368 3.220 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.419 3.036 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.226 5.176 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.520 5.577 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.132 6.784 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.807 5.257 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.929 6.167 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.166 4.707 -0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.482 6.187 0.084 1.00 0.00 H new ATOM 1524 N THR A 101 -11.722 2.612 -0.226 1.00 0.00 N ATOM 1525 CA THR A 101 -10.297 2.326 -0.109 1.00 0.00 C ATOM 1526 C THR A 101 -9.477 3.247 -1.005 1.00 0.00 C ATOM 1527 O THR A 101 -8.386 3.678 -0.635 1.00 0.00 O ATOM 1528 CB THR A 101 -9.985 0.863 -0.475 1.00 0.00 C ATOM 1529 OG1 THR A 101 -10.832 -0.019 0.270 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.527 0.533 -0.192 1.00 0.00 C ATOM 0 H THR A 101 -12.284 1.826 -0.553 1.00 0.00 H new ATOM 0 HA THR A 101 -10.025 2.498 0.932 1.00 0.00 H new ATOM 0 HB THR A 101 -10.170 0.731 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.750 0.046 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.331 -0.506 -0.458 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.885 1.187 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.320 0.681 0.868 1.00 0.00 H new ATOM 1538 N GLY A 102 -10.011 3.548 -2.185 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.315 4.417 -3.115 1.00 0.00 C ATOM 1540 C GLY A 102 -9.351 5.871 -2.687 1.00 0.00 C ATOM 1541 O GLY A 102 -8.366 6.595 -2.837 1.00 0.00 O ATOM 0 H GLY A 102 -10.914 3.205 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.278 4.093 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.765 4.321 -4.103 1.00 0.00 H new ATOM 1545 N THR A 103 -10.489 6.301 -2.152 1.00 0.00 N ATOM 1546 CA THR A 103 -10.650 7.678 -1.703 1.00 0.00 C ATOM 1547 C THR A 103 -9.824 7.949 -0.451 1.00 0.00 C ATOM 1548 O THR A 103 -9.335 9.060 -0.247 1.00 0.00 O ATOM 1549 CB THR A 103 -12.127 8.005 -1.412 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.915 7.802 -2.590 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.279 9.441 -0.935 1.00 0.00 C ATOM 0 H THR A 103 -11.313 5.715 -2.019 1.00 0.00 H new ATOM 0 HA THR A 103 -10.297 8.317 -2.512 1.00 0.00 H new ATOM 0 HB THR A 103 -12.475 7.338 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.351 6.926 -2.545 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.330 9.649 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.701 9.584 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.914 10.121 -1.705 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.673 6.927 0.384 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.905 7.054 1.617 1.00 0.00 C ATOM 1561 C ASP A 104 -7.417 6.841 1.354 1.00 0.00 C ATOM 1562 O ASP A 104 -6.621 6.727 2.286 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.401 6.051 2.658 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.887 6.185 2.930 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.448 7.262 2.639 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.487 5.213 3.434 1.00 0.00 O ATOM 0 H ASP A 104 -10.072 6.001 0.229 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.047 8.064 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.188 5.039 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.850 6.194 3.588 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.048 6.786 0.079 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.657 6.585 -0.309 1.00 0.00 C ATOM 1573 C LYS A 105 -4.853 7.870 -0.134 1.00 0.00 C ATOM 1574 O LYS A 105 -3.669 7.834 0.201 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.574 6.112 -1.761 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.170 6.171 -2.340 1.00 0.00 C ATOM 1577 CD LYS A 105 -3.900 7.507 -3.011 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.509 7.565 -4.404 1.00 0.00 C ATOM 1579 NZ LYS A 105 -3.799 8.537 -5.280 1.00 0.00 N ATOM 0 H LYS A 105 -7.694 6.878 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.231 5.820 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.941 5.087 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.236 6.725 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.441 6.007 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.040 5.366 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.310 8.311 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.825 7.672 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.473 6.574 -4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.560 7.844 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.244 8.547 -6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.854 9.487 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.802 8.257 -5.372 1.00 0.00 H new ATOM 1593 N THR A 106 -5.505 9.006 -0.363 1.00 0.00 N ATOM 1594 CA THR A 106 -4.852 10.302 -0.231 1.00 0.00 C ATOM 1595 C THR A 106 -4.294 10.496 1.175 1.00 0.00 C ATOM 1596 O THR A 106 -3.384 11.297 1.387 1.00 0.00 O ATOM 1597 CB THR A 106 -5.823 11.456 -0.549 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.561 11.159 -1.739 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.068 12.764 -0.727 1.00 0.00 C ATOM 0 H THR A 106 -6.485 9.054 -0.641 1.00 0.00 H new ATOM 0 HA THR A 106 -4.033 10.317 -0.950 1.00 0.00 H new ATOM 0 HB THR A 106 -6.512 11.564 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.177 11.896 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.774 13.564 -0.951 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.530 13.001 0.191 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.359 12.666 -1.549 1.00 0.00 H new ATOM 1607 N LEU A 107 -4.845 9.758 2.132 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.401 9.847 3.519 1.00 0.00 C ATOM 1609 C LEU A 107 -3.101 9.078 3.725 1.00 0.00 C ATOM 1610 O LEU A 107 -2.137 9.603 4.283 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.483 9.307 4.458 1.00 0.00 C ATOM 1612 CG LEU A 107 -6.835 10.013 4.361 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -7.454 9.797 2.989 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.771 9.521 5.454 1.00 0.00 C ATOM 0 H LEU A 107 -5.600 9.091 1.973 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.220 10.897 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.628 8.247 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.123 9.383 5.484 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.676 11.082 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.416 10.307 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.790 10.199 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.600 8.730 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.729 10.034 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.924 8.447 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.332 9.729 6.430 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.081 7.829 3.270 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.899 6.986 3.403 1.00 0.00 C ATOM 1628 C VAL A 108 -0.698 7.606 2.697 1.00 0.00 C ATOM 1629 O VAL A 108 0.441 7.455 3.136 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.146 5.578 2.830 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -0.949 4.677 3.090 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.413 4.978 3.421 1.00 0.00 C ATOM 0 H VAL A 108 -3.870 7.379 2.806 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.688 6.905 4.469 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.279 5.662 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.143 3.687 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.064 5.101 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.781 4.596 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.573 3.983 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.311 4.907 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.264 5.614 3.178 1.00 0.00 H new ATOM 1642 N LYS A 109 -0.963 8.307 1.598 1.00 0.00 N ATOM 1643 CA LYS A 109 0.095 8.953 0.830 1.00 0.00 C ATOM 1644 C LYS A 109 0.759 10.060 1.643 1.00 0.00 C ATOM 1645 O LYS A 109 1.955 10.313 1.502 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.471 9.530 -0.469 1.00 0.00 C ATOM 1647 CG LYS A 109 0.492 10.454 -1.194 1.00 0.00 C ATOM 1648 CD LYS A 109 0.343 11.892 -0.724 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.965 12.502 -1.203 1.00 0.00 C ATOM 1650 NZ LYS A 109 -0.828 13.122 -2.549 1.00 0.00 N ATOM 0 H LYS A 109 -1.901 8.442 1.220 1.00 0.00 H new ATOM 0 HA LYS A 109 0.847 8.201 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.744 8.710 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.387 10.077 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.516 10.119 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.311 10.400 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.385 11.926 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.179 12.485 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.735 11.731 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.298 13.255 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.741 13.526 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.112 13.875 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.535 12.398 -3.236 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.025 10.716 2.493 1.00 0.00 N ATOM 1665 CA GLU A 110 0.489 11.796 3.328 1.00 0.00 C ATOM 1666 C GLU A 110 1.779 11.376 4.027 1.00 0.00 C ATOM 1667 O GLU A 110 2.804 12.049 3.921 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.556 12.208 4.367 1.00 0.00 C ATOM 1669 CG GLU A 110 -1.935 12.454 3.778 1.00 0.00 C ATOM 1670 CD GLU A 110 -1.967 13.648 2.845 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -0.883 14.094 2.414 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -3.076 14.136 2.545 1.00 0.00 O ATOM 0 H GLU A 110 -1.017 10.519 2.622 1.00 0.00 H new ATOM 0 HA GLU A 110 0.706 12.648 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.628 11.429 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.218 13.114 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.258 11.565 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.649 12.611 4.587 1.00 0.00 H new ATOM 1679 N VAL A 111 1.720 10.257 4.743 1.00 0.00 N ATOM 1680 CA VAL A 111 2.883 9.745 5.460 1.00 0.00 C ATOM 1681 C VAL A 111 3.879 9.102 4.501 1.00 0.00 C ATOM 1682 O VAL A 111 5.085 9.102 4.750 1.00 0.00 O ATOM 1683 CB VAL A 111 2.475 8.714 6.527 1.00 0.00 C ATOM 1684 CG1 VAL A 111 1.921 7.457 5.874 1.00 0.00 C ATOM 1685 CG2 VAL A 111 3.657 8.381 7.425 1.00 0.00 C ATOM 0 H VAL A 111 0.879 9.688 4.842 1.00 0.00 H new ATOM 0 HA VAL A 111 3.353 10.597 5.951 1.00 0.00 H new ATOM 0 HB VAL A 111 1.689 9.149 7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.638 6.741 6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.045 7.713 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.682 7.016 5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.351 7.651 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.466 7.966 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.003 9.287 7.922 1.00 0.00 H new ATOM 1695 N VAL A 112 3.368 8.554 3.404 1.00 0.00 N ATOM 1696 CA VAL A 112 4.212 7.908 2.407 1.00 0.00 C ATOM 1697 C VAL A 112 4.400 8.800 1.185 1.00 0.00 C ATOM 1698 O VAL A 112 3.530 8.871 0.317 1.00 0.00 O ATOM 1699 CB VAL A 112 3.620 6.559 1.958 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.288 6.081 0.677 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.762 5.521 3.062 1.00 0.00 C ATOM 0 H VAL A 112 2.372 8.545 3.183 1.00 0.00 H new ATOM 0 HA VAL A 112 5.179 7.732 2.878 1.00 0.00 H new ATOM 0 HB VAL A 112 2.558 6.698 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.856 5.127 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.130 6.816 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.357 5.958 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.338 4.574 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.817 5.383 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 112 3.232 5.861 3.952 1.00 0.00 H new ATOM 1711 N GLN A 113 5.542 9.477 1.123 1.00 0.00 N ATOM 1712 CA GLN A 113 5.843 10.365 0.006 1.00 0.00 C ATOM 1713 C GLN A 113 7.133 9.945 -0.690 1.00 0.00 C ATOM 1714 O GLN A 113 7.239 10.011 -1.914 1.00 0.00 O ATOM 1715 CB GLN A 113 5.960 11.810 0.494 1.00 0.00 C ATOM 1716 CG GLN A 113 4.830 12.235 1.418 1.00 0.00 C ATOM 1717 CD GLN A 113 4.787 13.734 1.638 1.00 0.00 C ATOM 1718 OE1 GLN A 113 5.779 14.433 1.426 1.00 0.00 O ATOM 1719 NE2 GLN A 113 3.635 14.237 2.063 1.00 0.00 N ATOM 0 H GLN A 113 6.273 9.428 1.832 1.00 0.00 H new ATOM 0 HA GLN A 113 5.025 10.296 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.909 11.933 1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.982 12.475 -0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.879 11.906 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.944 11.734 2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.839 13.621 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 113 3.546 15.240 2.227 1.00 0.00 H new ATOM 1728 N ASN A 114 8.112 9.513 0.099 1.00 0.00 N ATOM 1729 CA ASN A 114 9.397 9.083 -0.443 1.00 0.00 C ATOM 1730 C ASN A 114 9.216 7.909 -1.400 1.00 0.00 C ATOM 1731 O ASN A 114 10.022 7.706 -2.309 1.00 0.00 O ATOM 1732 CB ASN A 114 10.345 8.689 0.691 1.00 0.00 C ATOM 1733 CG ASN A 114 11.801 8.908 0.328 1.00 0.00 C ATOM 1734 OD1 ASN A 114 12.461 8.016 -0.205 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.310 10.101 0.618 1.00 0.00 N ATOM 0 H ASN A 114 8.040 9.451 1.115 1.00 0.00 H new ATOM 0 HA ASN A 114 9.829 9.917 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.104 9.270 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.190 7.640 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.285 10.307 0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.726 10.811 1.060 1.00 0.00 H new ATOM 1742 N PHE A 115 8.154 7.139 -1.192 1.00 0.00 N ATOM 1743 CA PHE A 115 7.868 5.985 -2.035 1.00 0.00 C ATOM 1744 C PHE A 115 7.817 6.387 -3.507 1.00 0.00 C ATOM 1745 O PHE A 115 8.136 7.521 -3.864 1.00 0.00 O ATOM 1746 CB PHE A 115 6.543 5.342 -1.625 1.00 0.00 C ATOM 1747 CG PHE A 115 5.361 5.858 -2.394 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.332 7.167 -2.848 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.278 5.036 -2.663 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.246 7.646 -3.556 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.190 5.509 -3.371 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.174 6.817 -3.817 1.00 0.00 C ATOM 0 H PHE A 115 7.476 7.294 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 115 8.671 5.261 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.614 4.263 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.378 5.516 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.168 7.820 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.285 4.014 -2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.236 8.668 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.353 4.858 -3.576 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.324 7.190 -4.369 1.00 0.00 H new ATOM 1762 N ALA A 116 7.413 5.448 -4.357 1.00 0.00 N ATOM 1763 CA ALA A 116 7.317 5.704 -5.789 1.00 0.00 C ATOM 1764 C ALA A 116 5.881 6.013 -6.197 1.00 0.00 C ATOM 1765 O ALA A 116 5.570 7.127 -6.618 1.00 0.00 O ATOM 1766 CB ALA A 116 7.847 4.513 -6.574 1.00 0.00 C ATOM 0 H ALA A 116 7.147 4.503 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 116 7.927 6.577 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.769 4.717 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.891 4.340 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.261 3.627 -6.331 1.00 0.00 H new ATOM 1772 N LYS A 117 5.008 5.019 -6.071 1.00 0.00 N ATOM 1773 CA LYS A 117 3.604 5.184 -6.425 1.00 0.00 C ATOM 1774 C LYS A 117 2.745 4.118 -5.754 1.00 0.00 C ATOM 1775 O LYS A 117 3.252 3.091 -5.304 1.00 0.00 O ATOM 1776 CB LYS A 117 3.429 5.114 -7.944 1.00 0.00 C ATOM 1777 CG LYS A 117 2.036 4.691 -8.377 1.00 0.00 C ATOM 1778 CD LYS A 117 1.976 4.412 -9.869 1.00 0.00 C ATOM 1779 CE LYS A 117 0.668 3.740 -10.258 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.609 3.447 -11.718 1.00 0.00 N ATOM 0 H LYS A 117 5.249 4.090 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 117 3.278 6.163 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.652 6.091 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.156 4.413 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.739 3.798 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.322 5.474 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.084 5.346 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.813 3.775 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.555 2.813 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.167 4.384 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.297 2.989 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.692 4.335 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.391 2.812 -11.977 1.00 0.00 H new ATOM 1794 N GLU A 118 1.440 4.368 -5.692 1.00 0.00 N ATOM 1795 CA GLU A 118 0.511 3.427 -5.076 1.00 0.00 C ATOM 1796 C GLU A 118 0.009 2.411 -6.097 1.00 0.00 C ATOM 1797 O GLU A 118 -0.531 2.777 -7.141 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.674 4.175 -4.461 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.108 5.391 -5.262 1.00 0.00 C ATOM 1800 CD GLU A 118 -0.310 6.633 -4.918 1.00 0.00 C ATOM 1801 OE1 GLU A 118 0.203 6.712 -3.782 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -0.196 7.525 -5.784 1.00 0.00 O ATOM 0 H GLU A 118 1.003 5.213 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 118 1.043 2.893 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.517 3.490 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.409 4.491 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.000 5.178 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.166 5.582 -5.081 1.00 0.00 H new ATOM 1809 N PHE A 119 0.193 1.131 -5.788 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.239 0.060 -6.679 1.00 0.00 C ATOM 1811 C PHE A 119 -1.562 -0.538 -6.209 1.00 0.00 C ATOM 1812 O PHE A 119 -1.595 -1.354 -5.289 1.00 0.00 O ATOM 1813 CB PHE A 119 0.830 -1.033 -6.753 1.00 0.00 C ATOM 1814 CG PHE A 119 2.071 -0.609 -7.486 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.255 0.712 -7.858 1.00 0.00 C ATOM 1816 CD2 PHE A 119 3.053 -1.533 -7.803 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.395 1.105 -8.533 1.00 0.00 C ATOM 1818 CE2 PHE A 119 4.195 -1.147 -8.478 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.368 0.174 -8.842 1.00 0.00 C ATOM 0 H PHE A 119 0.638 0.811 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.385 0.484 -7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.100 -1.335 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.409 -1.910 -7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.498 1.444 -7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.924 -2.567 -7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.525 2.138 -8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.952 -1.878 -8.721 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.261 0.478 -9.367 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.652 -0.123 -6.848 1.00 0.00 N ATOM 1830 CA VAL A 120 -3.977 -0.617 -6.497 1.00 0.00 C ATOM 1831 C VAL A 120 -4.263 -1.953 -7.175 1.00 0.00 C ATOM 1832 O VAL A 120 -4.603 -2.001 -8.357 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.074 0.391 -6.892 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -4.805 0.959 -8.277 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -6.446 -0.266 -6.833 1.00 0.00 C ATOM 0 H VAL A 120 -2.642 0.554 -7.611 1.00 0.00 H new ATOM 0 HA VAL A 120 -3.989 -0.752 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.059 1.216 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -5.590 1.669 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -3.841 1.467 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.791 0.149 -9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -7.209 0.459 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.475 -1.110 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.637 -0.619 -5.820 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.124 -3.035 -6.416 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.369 -4.372 -6.943 1.00 0.00 C ATOM 1847 C ILE A 121 -5.636 -4.975 -6.344 1.00 0.00 C ATOM 1848 O ILE A 121 -5.977 -4.710 -5.191 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.183 -5.314 -6.662 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.862 -4.619 -6.993 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.328 -6.600 -7.461 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.646 -5.349 -6.467 1.00 0.00 C ATOM 0 H ILE A 121 -3.843 -3.012 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.493 -4.269 -8.021 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.182 -5.567 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.775 -4.518 -8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.878 -3.611 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.483 -7.255 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.254 -7.101 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.351 -6.366 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.255 -4.799 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.710 -5.427 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.606 -6.348 -6.901 1.00 0.00 H new ATOM 1864 N SER A 122 -6.328 -5.789 -7.135 1.00 0.00 N ATOM 1865 CA SER A 122 -7.559 -6.428 -6.684 1.00 0.00 C ATOM 1866 C SER A 122 -7.429 -7.949 -6.730 1.00 0.00 C ATOM 1867 O SER A 122 -8.166 -8.665 -6.053 1.00 0.00 O ATOM 1868 CB SER A 122 -8.738 -5.980 -7.550 1.00 0.00 C ATOM 1869 OG SER A 122 -8.319 -5.690 -8.872 1.00 0.00 O ATOM 0 H SER A 122 -6.057 -6.021 -8.091 1.00 0.00 H new ATOM 0 HA SER A 122 -7.740 -6.126 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.497 -6.762 -7.569 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.201 -5.097 -7.110 1.00 0.00 H new ATOM 0 HG SER A 122 -9.091 -5.408 -9.405 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.487 -8.432 -7.532 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.258 -9.866 -7.665 1.00 0.00 C ATOM 1877 C ASP A 123 -4.885 -10.250 -7.126 1.00 0.00 C ATOM 1878 O ASP A 123 -3.869 -9.674 -7.516 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.381 -10.288 -9.130 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.849 -11.722 -9.283 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.874 -12.079 -8.665 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -6.192 -12.486 -10.019 1.00 0.00 O ATOM 0 H ASP A 123 -5.870 -7.852 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.016 -10.386 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.081 -9.625 -9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.415 -10.170 -9.621 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.861 -11.227 -6.224 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.613 -11.686 -5.628 1.00 0.00 C ATOM 1889 C ARG A 124 -2.593 -12.042 -6.706 1.00 0.00 C ATOM 1890 O ARG A 124 -1.396 -11.805 -6.548 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.867 -12.899 -4.731 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.554 -12.554 -3.420 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.263 -13.593 -2.348 1.00 0.00 C ATOM 1894 NE ARG A 124 -5.216 -14.698 -2.384 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.961 -15.906 -1.893 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.787 -16.162 -1.331 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.880 -16.860 -1.963 1.00 0.00 N ATOM 0 H ARG A 124 -5.692 -11.715 -5.891 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.209 -10.874 -5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.479 -13.620 -5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.916 -13.387 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.219 -11.574 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.630 -12.485 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.253 -13.981 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.294 -13.120 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.128 -14.534 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.078 -15.431 -1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.593 -17.090 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.784 -16.667 -2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.683 -17.787 -1.586 1.00 0.00 H new ATOM 1911 N LYS A 125 -3.078 -12.612 -7.805 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.211 -13.000 -8.911 1.00 0.00 C ATOM 1913 C LYS A 125 -1.327 -11.835 -9.345 1.00 0.00 C ATOM 1914 O LYS A 125 -0.336 -12.026 -10.049 1.00 0.00 O ATOM 1915 CB LYS A 125 -3.049 -13.487 -10.096 1.00 0.00 C ATOM 1916 CG LYS A 125 -3.365 -14.971 -10.048 1.00 0.00 C ATOM 1917 CD LYS A 125 -2.175 -15.810 -10.484 1.00 0.00 C ATOM 1918 CE LYS A 125 -1.975 -15.755 -11.990 1.00 0.00 C ATOM 1919 NZ LYS A 125 -2.917 -16.657 -12.708 1.00 0.00 N ATOM 0 H LYS A 125 -4.067 -12.815 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.569 -13.812 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.983 -12.926 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.517 -13.267 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.656 -15.249 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -4.217 -15.183 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.275 -15.454 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.325 -16.844 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.116 -14.732 -12.338 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.949 -16.035 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.749 -16.591 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.766 -17.637 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.896 -16.374 -12.499 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.690 -10.631 -8.917 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.929 -9.436 -9.262 1.00 0.00 C ATOM 1935 C GLU A 126 -0.072 -8.980 -8.084 1.00 0.00 C ATOM 1936 O GLU A 126 0.890 -8.230 -8.256 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.871 -8.308 -9.687 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.378 -8.446 -11.113 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.633 -7.104 -11.773 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -3.453 -6.327 -11.240 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -2.012 -6.832 -12.822 1.00 0.00 O ATOM 0 H GLU A 126 -2.506 -10.457 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.272 -9.683 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.723 -8.282 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.353 -7.355 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.650 -9.004 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.300 -9.028 -11.112 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.427 -9.436 -6.889 1.00 0.00 N ATOM 1949 CA LEU A 127 0.308 -9.076 -5.681 1.00 0.00 C ATOM 1950 C LEU A 127 1.725 -9.641 -5.719 1.00 0.00 C ATOM 1951 O LEU A 127 2.582 -9.244 -4.930 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.425 -9.587 -4.440 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.509 -8.654 -3.899 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.887 -7.504 -3.124 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.374 -8.127 -5.035 1.00 0.00 C ATOM 0 H LEU A 127 -1.220 -10.057 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 127 0.370 -7.989 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.880 -10.549 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.307 -9.765 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.143 -9.222 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.674 -6.851 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.311 -7.899 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.229 -6.936 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.140 -7.465 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.752 -7.576 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.850 -8.963 -5.548 1.00 0.00 H new ATOM 1967 N GLU A 128 1.962 -10.569 -6.640 1.00 0.00 N ATOM 1968 CA GLU A 128 3.274 -11.189 -6.779 1.00 0.00 C ATOM 1969 C GLU A 128 4.372 -10.131 -6.848 1.00 0.00 C ATOM 1970 O GLU A 128 4.544 -9.467 -7.870 1.00 0.00 O ATOM 1971 CB GLU A 128 3.318 -12.068 -8.030 1.00 0.00 C ATOM 1972 CG GLU A 128 2.110 -12.979 -8.178 1.00 0.00 C ATOM 1973 CD GLU A 128 2.437 -14.267 -8.908 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.082 -14.196 -9.975 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.048 -15.345 -8.413 1.00 0.00 O ATOM 0 H GLU A 128 1.263 -10.908 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 128 3.448 -11.811 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.390 -11.429 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.221 -12.678 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.715 -13.216 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.324 -12.450 -8.717 1.00 0.00 H new ATOM 1982 N GLU A 129 5.110 -9.980 -5.753 1.00 0.00 N ATOM 1983 CA GLU A 129 6.189 -9.002 -5.689 1.00 0.00 C ATOM 1984 C GLU A 129 6.906 -8.893 -7.032 1.00 0.00 C ATOM 1985 O GLU A 129 7.316 -7.807 -7.444 1.00 0.00 O ATOM 1986 CB GLU A 129 7.189 -9.382 -4.595 1.00 0.00 C ATOM 1987 CG GLU A 129 8.450 -8.536 -4.602 1.00 0.00 C ATOM 1988 CD GLU A 129 9.638 -9.254 -3.991 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.850 -10.439 -4.325 1.00 0.00 O ATOM 1990 OE2 GLU A 129 10.355 -8.633 -3.180 1.00 0.00 O ATOM 0 H GLU A 129 4.980 -10.522 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 129 5.751 -8.033 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.704 -9.288 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.464 -10.430 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.689 -8.255 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.267 -7.613 -4.053 1.00 0.00 H new ATOM 1997 N ASP A 130 7.052 -10.026 -7.710 1.00 0.00 N ATOM 1998 CA ASP A 130 7.718 -10.059 -9.008 1.00 0.00 C ATOM 1999 C ASP A 130 7.102 -9.042 -9.961 1.00 0.00 C ATOM 2000 O ASP A 130 7.813 -8.268 -10.604 1.00 0.00 O ATOM 2001 CB ASP A 130 7.632 -11.462 -9.613 1.00 0.00 C ATOM 2002 CG ASP A 130 8.584 -12.438 -8.951 1.00 0.00 C ATOM 2003 OD1 ASP A 130 8.414 -12.707 -7.744 1.00 0.00 O ATOM 2004 OD2 ASP A 130 9.502 -12.932 -9.640 1.00 0.00 O ATOM 0 H ASP A 130 6.719 -10.933 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 130 8.766 -9.800 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.612 -11.833 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 130 7.854 -11.409 -10.679 1.00 0.00 H new ATOM 2009 N PHE A 131 5.777 -9.048 -10.050 1.00 0.00 N ATOM 2010 CA PHE A 131 5.064 -8.125 -10.926 1.00 0.00 C ATOM 2011 C PHE A 131 5.236 -6.685 -10.455 1.00 0.00 C ATOM 2012 O PHE A 131 5.330 -5.763 -11.265 1.00 0.00 O ATOM 2013 CB PHE A 131 3.578 -8.484 -10.980 1.00 0.00 C ATOM 2014 CG PHE A 131 2.748 -7.485 -11.735 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.066 -7.146 -13.040 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.648 -6.887 -11.140 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.303 -6.228 -13.737 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.881 -5.968 -11.831 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.209 -5.639 -13.133 1.00 0.00 C ATOM 0 H PHE A 131 5.174 -9.682 -9.526 1.00 0.00 H new ATOM 0 HA PHE A 131 5.487 -8.213 -11.927 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.465 -9.463 -11.445 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.195 -8.568 -9.963 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.919 -7.604 -13.518 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.387 -7.142 -10.124 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.562 -5.971 -14.754 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.028 -5.508 -11.355 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.611 -4.923 -13.677 1.00 0.00 H new ATOM 2029 N ILE A 132 5.273 -6.499 -9.140 1.00 0.00 N ATOM 2030 CA ILE A 132 5.433 -5.171 -8.560 1.00 0.00 C ATOM 2031 C ILE A 132 6.725 -4.516 -9.037 1.00 0.00 C ATOM 2032 O ILE A 132 6.719 -3.378 -9.507 1.00 0.00 O ATOM 2033 CB ILE A 132 5.436 -5.226 -7.021 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.187 -5.949 -6.513 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.513 -3.821 -6.442 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.902 -5.199 -6.782 1.00 0.00 C ATOM 0 H ILE A 132 5.194 -7.251 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 132 4.582 -4.576 -8.892 1.00 0.00 H new ATOM 0 HB ILE A 132 6.314 -5.782 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.130 -6.931 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.284 -6.114 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.514 -3.876 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.429 -3.337 -6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.651 -3.242 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.059 -5.771 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.938 -4.227 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.781 -5.057 -7.856 1.00 0.00 H new ATOM 2048 N ARG A 133 7.831 -5.242 -8.914 1.00 0.00 N ATOM 2049 CA ARG A 133 9.131 -4.731 -9.332 1.00 0.00 C ATOM 2050 C ARG A 133 9.081 -4.233 -10.774 1.00 0.00 C ATOM 2051 O ARG A 133 9.378 -3.071 -11.050 1.00 0.00 O ATOM 2052 CB ARG A 133 10.199 -5.818 -9.193 1.00 0.00 C ATOM 2053 CG ARG A 133 10.882 -5.830 -7.836 1.00 0.00 C ATOM 2054 CD ARG A 133 10.140 -6.715 -6.847 1.00 0.00 C ATOM 2055 NE ARG A 133 10.442 -8.130 -7.045 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.497 -8.738 -6.514 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.346 -8.058 -5.756 1.00 0.00 N ATOM 2058 NH2 ARG A 133 11.703 -10.030 -6.741 1.00 0.00 N ATOM 0 H ARG A 133 7.853 -6.186 -8.528 1.00 0.00 H new ATOM 0 HA ARG A 133 9.389 -3.893 -8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.740 -6.791 -9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.952 -5.677 -9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.907 -6.185 -7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.937 -4.814 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.407 -6.426 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.067 -6.555 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 133 9.808 -8.682 -7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.190 -7.066 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.155 -8.527 -5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.051 -10.556 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.513 -10.497 -6.333 1.00 0.00 H new ATOM 2072 N SER A 134 8.703 -5.121 -11.688 1.00 0.00 N ATOM 2073 CA SER A 134 8.618 -4.773 -13.103 1.00 0.00 C ATOM 2074 C SER A 134 8.008 -3.387 -13.285 1.00 0.00 C ATOM 2075 O SER A 134 8.448 -2.611 -14.133 1.00 0.00 O ATOM 2076 CB SER A 134 7.786 -5.813 -13.855 1.00 0.00 C ATOM 2077 OG SER A 134 8.602 -6.868 -14.337 1.00 0.00 O ATOM 0 H SER A 134 8.451 -6.086 -11.475 1.00 0.00 H new ATOM 0 HA SER A 134 9.628 -4.762 -13.512 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.018 -6.216 -13.194 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.271 -5.337 -14.689 1.00 0.00 H new ATOM 0 HG SER A 134 8.046 -7.520 -14.812 1.00 0.00 H new ATOM 2083 N GLU A 135 6.991 -3.086 -12.484 1.00 0.00 N ATOM 2084 CA GLU A 135 6.318 -1.793 -12.558 1.00 0.00 C ATOM 2085 C GLU A 135 7.256 -0.667 -12.133 1.00 0.00 C ATOM 2086 O GLU A 135 7.536 0.248 -12.907 1.00 0.00 O ATOM 2087 CB GLU A 135 5.069 -1.792 -11.675 1.00 0.00 C ATOM 2088 CG GLU A 135 4.059 -2.865 -12.046 1.00 0.00 C ATOM 2089 CD GLU A 135 3.376 -2.591 -13.373 1.00 0.00 C ATOM 2090 OE1 GLU A 135 4.011 -2.816 -14.424 1.00 0.00 O ATOM 2091 OE2 GLU A 135 2.209 -2.149 -13.358 1.00 0.00 O ATOM 0 H GLU A 135 6.615 -3.718 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 135 6.022 -1.625 -13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.369 -1.931 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.589 -0.815 -11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.562 -3.831 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.305 -2.936 -11.262 1.00 0.00 H new