USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 25 GLN : amide:sc= 0.366 X(o=0.71,f=1.1) USER MOD Set 1.2: A 97 CYS SG : rot 124:sc= 0.344 USER MOD Single : A 11 ASN : amide:sc= 0.103 K(o=0.1,f=-2.4) USER MOD Single : A 18 TYR OH : rot 30:sc= -0.632 USER MOD Single : A 23 THR OG1 : rot -37:sc= 1.3 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.937) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.11) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 70 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= -1.51! (180deg=-1.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -96:sc= 0.618 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 94 THR OG1 : rot 134:sc= -0.98 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 103 CYS SG : rot -146:sc= -4.04! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 83:sc= 1.3 USER MOD Single : A 115 SER OG : rot 77:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -11.784 7.910 1.504 1.00 0.00 N ATOM 131 CA ASN A 11 -11.494 7.489 2.864 1.00 0.00 C ATOM 132 C ASN A 11 -12.720 7.663 3.751 1.00 0.00 C ATOM 133 O ASN A 11 -12.627 7.593 4.976 1.00 0.00 O ATOM 134 CB ASN A 11 -10.301 8.276 3.435 1.00 0.00 C ATOM 135 CG ASN A 11 -10.541 9.776 3.461 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.097 10.314 4.413 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.107 10.465 2.420 1.00 0.00 N ATOM 0 HA ASN A 11 -11.229 6.432 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.094 7.929 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.414 8.065 2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.230 11.477 2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.649 9.985 1.646 1.00 0.00 H new ATOM 144 N ALA A 12 -13.869 7.880 3.127 1.00 0.00 N ATOM 145 CA ALA A 12 -15.105 8.063 3.857 1.00 0.00 C ATOM 146 C ALA A 12 -15.798 6.722 4.059 1.00 0.00 C ATOM 147 O ALA A 12 -15.965 5.943 3.109 1.00 0.00 O ATOM 148 CB ALA A 12 -16.013 9.037 3.126 1.00 0.00 C ATOM 0 H ALA A 12 -13.966 7.933 2.113 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.877 8.483 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.938 9.164 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.512 10.000 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.241 8.647 2.134 1.00 0.00 H new ATOM 154 N VAL A 13 -16.198 6.458 5.286 1.00 0.00 N ATOM 155 CA VAL A 13 -16.829 5.197 5.636 1.00 0.00 C ATOM 156 C VAL A 13 -18.107 5.420 6.425 1.00 0.00 C ATOM 157 O VAL A 13 -18.334 6.504 6.984 1.00 0.00 O ATOM 158 CB VAL A 13 -15.879 4.297 6.465 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.677 3.873 5.639 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.427 5.019 7.732 1.00 0.00 C ATOM 0 H VAL A 13 -16.097 7.106 6.067 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.066 4.697 4.697 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.428 3.400 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.025 3.242 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.014 3.315 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.128 4.757 5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.760 4.371 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.900 5.934 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.297 5.268 8.339 1.00 0.00 H new ATOM 170 N VAL A 14 -18.943 4.403 6.448 1.00 0.00 N ATOM 171 CA VAL A 14 -20.179 4.441 7.194 1.00 0.00 C ATOM 172 C VAL A 14 -20.067 3.519 8.391 1.00 0.00 C ATOM 173 O VAL A 14 -19.972 2.297 8.238 1.00 0.00 O ATOM 174 CB VAL A 14 -21.387 4.000 6.330 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.691 4.118 7.114 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.457 4.809 5.046 1.00 0.00 C ATOM 0 H VAL A 14 -18.783 3.528 5.949 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.347 5.470 7.512 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.245 2.952 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.523 3.803 6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.643 3.482 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.839 5.154 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.313 4.482 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.566 5.866 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.542 4.660 4.472 1.00 0.00 H new ATOM 186 N VAL A 15 -20.067 4.096 9.566 1.00 0.00 N ATOM 187 CA VAL A 15 -19.956 3.318 10.780 1.00 0.00 C ATOM 188 C VAL A 15 -21.333 3.129 11.402 1.00 0.00 C ATOM 189 O VAL A 15 -22.090 4.097 11.563 1.00 0.00 O ATOM 190 CB VAL A 15 -19.013 3.988 11.812 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.753 3.055 12.995 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.700 4.397 11.163 1.00 0.00 C ATOM 0 H VAL A 15 -20.143 5.103 9.711 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.530 2.351 10.512 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.507 4.886 12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.089 3.546 13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.697 2.817 13.485 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.287 2.136 12.638 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.056 4.865 11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.204 3.515 10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.897 5.105 10.358 1.00 0.00 H new ATOM 202 N PHE A 16 -21.663 1.891 11.735 1.00 0.00 N ATOM 203 CA PHE A 16 -22.939 1.573 12.343 1.00 0.00 C ATOM 204 C PHE A 16 -22.794 0.393 13.300 1.00 0.00 C ATOM 205 O PHE A 16 -21.739 -0.240 13.362 1.00 0.00 O ATOM 206 CB PHE A 16 -23.999 1.270 11.266 1.00 0.00 C ATOM 207 CG PHE A 16 -23.639 0.143 10.330 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.959 -1.168 10.645 1.00 0.00 C ATOM 209 CD2 PHE A 16 -22.986 0.399 9.133 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.635 -2.201 9.788 1.00 0.00 C ATOM 211 CE2 PHE A 16 -22.659 -0.628 8.271 1.00 0.00 C ATOM 212 CZ PHE A 16 -22.983 -1.932 8.599 1.00 0.00 C ATOM 0 H PHE A 16 -21.055 1.084 11.591 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.272 2.441 12.912 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -24.940 1.028 11.759 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.169 2.172 10.679 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.468 -1.384 11.572 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.730 1.415 8.872 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.891 -3.218 10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.151 -0.414 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.727 -2.738 7.928 1.00 0.00 H new ATOM 222 N GLY A 17 -23.851 0.105 14.043 1.00 0.00 N ATOM 223 CA GLY A 17 -23.813 -1.003 14.985 1.00 0.00 C ATOM 224 C GLY A 17 -23.555 -0.536 16.398 1.00 0.00 C ATOM 225 O GLY A 17 -23.466 -1.336 17.323 1.00 0.00 O ATOM 0 H GLY A 17 -24.734 0.615 14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.760 -1.542 14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.034 -1.705 14.687 1.00 0.00 H new ATOM 229 N TYR A 18 -23.454 0.765 16.560 1.00 0.00 N ATOM 230 CA TYR A 18 -23.222 1.367 17.854 1.00 0.00 C ATOM 231 C TYR A 18 -24.402 2.241 18.206 1.00 0.00 C ATOM 232 O TYR A 18 -25.137 2.666 17.324 1.00 0.00 O ATOM 233 CB TYR A 18 -21.943 2.215 17.822 1.00 0.00 C ATOM 234 CG TYR A 18 -21.996 3.358 16.832 1.00 0.00 C ATOM 235 CD1 TYR A 18 -21.616 3.172 15.513 1.00 0.00 C ATOM 236 CD2 TYR A 18 -22.449 4.614 17.213 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.678 4.204 14.607 1.00 0.00 C ATOM 238 CE2 TYR A 18 -22.520 5.648 16.305 1.00 0.00 C ATOM 239 CZ TYR A 18 -22.133 5.436 15.004 1.00 0.00 C ATOM 240 OH TYR A 18 -22.207 6.458 14.095 1.00 0.00 O ATOM 0 H TYR A 18 -23.531 1.437 15.796 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.103 0.583 18.602 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -21.759 2.617 18.818 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.098 1.572 17.577 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -21.266 2.202 15.192 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.750 4.783 18.236 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.369 4.045 13.584 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -22.878 6.619 16.614 1.00 0.00 H new ATOM 0 HH TYR A 18 -22.375 6.090 13.202 1.00 0.00 H new ATOM 250 N ARG A 19 -24.593 2.507 19.473 1.00 0.00 N ATOM 251 CA ARG A 19 -25.692 3.343 19.888 1.00 0.00 C ATOM 252 C ARG A 19 -25.169 4.503 20.726 1.00 0.00 C ATOM 253 O ARG A 19 -24.131 4.386 21.362 1.00 0.00 O ATOM 254 CB ARG A 19 -26.753 2.514 20.626 1.00 0.00 C ATOM 255 CG ARG A 19 -28.014 3.292 20.976 1.00 0.00 C ATOM 256 CD ARG A 19 -29.113 2.373 21.479 1.00 0.00 C ATOM 257 NE ARG A 19 -28.756 1.683 22.721 1.00 0.00 N ATOM 258 CZ ARG A 19 -29.518 0.752 23.302 1.00 0.00 C ATOM 259 NH1 ARG A 19 -30.651 0.362 22.723 1.00 0.00 N ATOM 260 NH2 ARG A 19 -29.141 0.205 24.455 1.00 0.00 N ATOM 0 H ARG A 19 -24.006 2.160 20.232 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.181 3.766 19.011 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.026 1.659 20.008 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.317 2.118 21.543 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.784 4.037 21.738 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.365 3.833 20.097 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -30.020 2.955 21.641 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.341 1.634 20.711 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.873 1.928 23.169 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.938 0.774 21.835 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -31.232 -0.349 23.167 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -28.269 0.496 24.897 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -29.724 -0.506 24.897 1.00 0.00 H new ATOM 274 N GLU A 20 -25.905 5.608 20.722 1.00 0.00 N ATOM 275 CA GLU A 20 -25.491 6.863 21.372 1.00 0.00 C ATOM 276 C GLU A 20 -25.024 6.667 22.832 1.00 0.00 C ATOM 277 O GLU A 20 -24.125 7.364 23.290 1.00 0.00 O ATOM 278 CB GLU A 20 -26.649 7.868 21.306 1.00 0.00 C ATOM 279 CG GLU A 20 -26.298 9.276 21.775 1.00 0.00 C ATOM 280 CD GLU A 20 -27.471 10.237 21.673 1.00 0.00 C ATOM 281 OE1 GLU A 20 -27.669 10.828 20.600 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.217 10.388 22.664 1.00 0.00 O ATOM 0 H GLU A 20 -26.815 5.667 20.266 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.626 7.245 20.829 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.008 7.921 20.278 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.473 7.492 21.913 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -25.956 9.235 22.809 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.469 9.657 21.179 1.00 0.00 H new ATOM 289 N ALA A 21 -25.615 5.705 23.527 1.00 0.00 N ATOM 290 CA ALA A 21 -25.303 5.443 24.939 1.00 0.00 C ATOM 291 C ALA A 21 -23.818 5.098 25.185 1.00 0.00 C ATOM 292 O ALA A 21 -23.307 5.313 26.284 1.00 0.00 O ATOM 293 CB ALA A 21 -26.190 4.336 25.480 1.00 0.00 C ATOM 0 H ALA A 21 -26.322 5.082 23.137 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.501 6.372 25.473 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -25.947 4.154 26.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.235 4.634 25.397 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.026 3.425 24.905 1.00 0.00 H new ATOM 299 N ILE A 22 -23.127 4.573 24.174 1.00 0.00 N ATOM 300 CA ILE A 22 -21.714 4.189 24.341 1.00 0.00 C ATOM 301 C ILE A 22 -20.785 5.369 24.038 1.00 0.00 C ATOM 302 O ILE A 22 -19.645 5.167 23.605 1.00 0.00 O ATOM 303 CB ILE A 22 -21.313 3.012 23.412 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.376 3.437 21.927 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.208 1.795 23.668 1.00 0.00 C ATOM 306 CD1 ILE A 22 -20.654 2.494 20.992 1.00 0.00 C ATOM 0 H ILE A 22 -23.509 4.403 23.243 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.607 3.878 25.380 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.284 2.734 23.639 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.420 3.507 21.623 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -20.947 4.434 21.825 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -21.912 0.980 23.007 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.103 1.478 24.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.247 2.060 23.473 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -20.742 2.858 19.968 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.601 2.442 21.269 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.097 1.501 21.063 1.00 0.00 H new ATOM 318 N THR A 23 -21.269 6.580 24.307 1.00 0.00 N ATOM 319 CA THR A 23 -20.564 7.818 23.967 1.00 0.00 C ATOM 320 C THR A 23 -19.070 7.768 24.298 1.00 0.00 C ATOM 321 O THR A 23 -18.242 7.638 23.405 1.00 0.00 O ATOM 322 CB THR A 23 -21.187 9.022 24.698 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.606 8.854 24.790 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.881 10.315 23.961 1.00 0.00 C ATOM 0 H THR A 23 -22.165 6.733 24.769 1.00 0.00 H new ATOM 0 HA THR A 23 -20.669 7.930 22.888 1.00 0.00 H new ATOM 0 HB THR A 23 -20.757 9.076 25.698 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.940 8.437 23.969 1.00 0.00 H new ATOM 0 HG21 THR A 23 -21.330 11.153 24.494 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.802 10.456 23.907 1.00 0.00 H new ATOM 0 HG23 THR A 23 -21.291 10.265 22.952 1.00 0.00 H new ATOM 332 N LYS A 24 -18.744 7.843 25.579 1.00 0.00 N ATOM 333 CA LYS A 24 -17.375 7.864 26.035 1.00 0.00 C ATOM 334 C LYS A 24 -16.605 6.610 25.653 1.00 0.00 C ATOM 335 O LYS A 24 -15.439 6.693 25.263 1.00 0.00 O ATOM 336 CB LYS A 24 -17.359 8.047 27.538 1.00 0.00 C ATOM 337 CG LYS A 24 -18.015 9.333 27.977 1.00 0.00 C ATOM 338 CD LYS A 24 -17.366 10.499 27.296 1.00 0.00 C ATOM 339 CE LYS A 24 -17.725 11.813 27.959 1.00 0.00 C ATOM 340 NZ LYS A 24 -19.123 12.205 27.671 1.00 0.00 N ATOM 0 H LYS A 24 -19.431 7.891 26.331 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.874 8.697 25.542 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -17.869 7.206 28.007 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.328 8.032 27.890 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.078 9.308 27.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.933 9.442 29.058 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.284 10.370 27.308 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.672 10.525 26.250 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.585 11.728 29.037 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.049 12.594 27.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.432 12.919 28.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.182 12.602 26.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.739 11.370 27.738 1.00 0.00 H new ATOM 354 N GLN A 25 -17.254 5.460 25.756 1.00 0.00 N ATOM 355 CA GLN A 25 -16.604 4.186 25.476 1.00 0.00 C ATOM 356 C GLN A 25 -15.927 4.178 24.105 1.00 0.00 C ATOM 357 O GLN A 25 -14.703 4.078 24.007 1.00 0.00 O ATOM 358 CB GLN A 25 -17.601 3.028 25.565 1.00 0.00 C ATOM 359 CG GLN A 25 -18.139 2.777 26.960 1.00 0.00 C ATOM 360 CD GLN A 25 -19.103 1.605 27.013 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.044 0.693 26.187 1.00 0.00 O ATOM 362 NE2 GLN A 25 -19.987 1.615 27.986 1.00 0.00 N ATOM 0 H GLN A 25 -18.233 5.382 26.032 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.834 4.054 26.236 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.437 3.231 24.896 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.118 2.119 25.205 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.306 2.589 27.638 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.644 3.674 27.317 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.005 2.388 28.651 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.655 0.850 28.076 1.00 0.00 H new ATOM 371 N ILE A 26 -16.724 4.279 23.057 1.00 0.00 N ATOM 372 CA ILE A 26 -16.208 4.232 21.716 1.00 0.00 C ATOM 373 C ILE A 26 -15.461 5.529 21.335 1.00 0.00 C ATOM 374 O ILE A 26 -14.549 5.505 20.497 1.00 0.00 O ATOM 375 CB ILE A 26 -17.325 3.896 20.697 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.734 3.209 19.490 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.098 5.139 20.275 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.768 2.582 18.584 1.00 0.00 C ATOM 0 H ILE A 26 -17.736 4.395 23.118 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.475 3.426 21.681 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.030 3.223 21.185 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.153 3.933 18.918 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.041 2.437 19.825 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.872 4.861 19.560 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.560 5.595 21.151 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.416 5.852 19.812 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.271 2.107 17.738 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.333 1.834 19.140 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.447 3.352 18.219 1.00 0.00 H new ATOM 390 N LEU A 27 -15.839 6.652 21.966 1.00 0.00 N ATOM 391 CA LEU A 27 -15.206 7.943 21.686 1.00 0.00 C ATOM 392 C LEU A 27 -13.723 7.900 22.032 1.00 0.00 C ATOM 393 O LEU A 27 -12.887 8.308 21.242 1.00 0.00 O ATOM 394 CB LEU A 27 -15.883 9.062 22.499 1.00 0.00 C ATOM 395 CG LEU A 27 -15.298 10.470 22.332 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.628 11.032 20.962 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.775 11.401 23.445 1.00 0.00 C ATOM 0 H LEU A 27 -16.577 6.689 22.670 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.320 8.149 20.622 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.937 9.095 22.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.836 8.795 23.555 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.213 10.396 22.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.203 12.031 20.867 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.209 10.384 20.192 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.710 11.085 20.841 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.344 12.392 23.300 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.862 11.471 23.420 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.459 11.006 24.410 1.00 0.00 H new ATOM 409 N ALA A 28 -13.408 7.356 23.195 1.00 0.00 N ATOM 410 CA ALA A 28 -12.030 7.289 23.670 1.00 0.00 C ATOM 411 C ALA A 28 -11.141 6.474 22.735 1.00 0.00 C ATOM 412 O ALA A 28 -9.931 6.694 22.669 1.00 0.00 O ATOM 413 CB ALA A 28 -11.994 6.702 25.071 1.00 0.00 C ATOM 0 H ALA A 28 -14.091 6.950 23.835 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.637 8.305 23.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.962 6.655 25.419 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.576 7.331 25.744 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.418 5.698 25.056 1.00 0.00 H new ATOM 419 N TYR A 29 -11.734 5.537 22.020 1.00 0.00 N ATOM 420 CA TYR A 29 -10.967 4.666 21.148 1.00 0.00 C ATOM 421 C TYR A 29 -10.852 5.208 19.710 1.00 0.00 C ATOM 422 O TYR A 29 -9.756 5.273 19.157 1.00 0.00 O ATOM 423 CB TYR A 29 -11.576 3.255 21.139 1.00 0.00 C ATOM 424 CG TYR A 29 -10.753 2.228 20.382 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.719 1.542 21.005 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.009 1.950 19.043 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.965 0.609 20.317 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.261 1.023 18.350 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.240 0.354 18.991 1.00 0.00 C ATOM 430 OH TYR A 29 -8.487 -0.577 18.304 1.00 0.00 O ATOM 0 H TYR A 29 -12.738 5.359 22.025 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.955 4.626 21.551 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.700 2.918 22.168 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.571 3.304 20.698 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.500 1.740 22.044 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.809 2.470 18.537 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.165 0.083 20.816 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.473 0.822 17.310 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.808 -0.640 17.380 1.00 0.00 H new ATOM 440 N PHE A 30 -11.971 5.605 19.119 1.00 0.00 N ATOM 441 CA PHE A 30 -11.979 6.000 17.703 1.00 0.00 C ATOM 442 C PHE A 30 -11.728 7.491 17.466 1.00 0.00 C ATOM 443 O PHE A 30 -11.320 7.878 16.369 1.00 0.00 O ATOM 444 CB PHE A 30 -13.288 5.585 17.034 1.00 0.00 C ATOM 445 CG PHE A 30 -13.413 4.114 16.768 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.883 3.256 17.743 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.072 3.592 15.528 1.00 0.00 C ATOM 448 CE1 PHE A 30 -14.015 1.906 17.495 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.198 2.241 15.273 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.671 1.396 16.260 1.00 0.00 C ATOM 0 H PHE A 30 -12.877 5.664 19.584 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.140 5.471 17.251 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.119 5.899 17.665 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.385 6.121 16.090 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.151 3.648 18.713 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.704 4.250 14.754 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.387 1.249 18.267 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.928 1.845 14.305 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.771 0.339 16.065 1.00 0.00 H new ATOM 460 N ALA A 31 -11.932 8.328 18.486 1.00 0.00 N ATOM 461 CA ALA A 31 -11.768 9.787 18.314 1.00 0.00 C ATOM 462 C ALA A 31 -10.328 10.167 18.011 1.00 0.00 C ATOM 463 O ALA A 31 -10.048 11.292 17.627 1.00 0.00 O ATOM 464 CB ALA A 31 -12.265 10.544 19.526 1.00 0.00 C ATOM 0 H ALA A 31 -12.206 8.036 19.424 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.376 10.070 17.455 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.130 11.614 19.367 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.323 10.330 19.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.701 10.234 20.405 1.00 0.00 H new ATOM 470 N GLN A 32 -9.427 9.218 18.190 1.00 0.00 N ATOM 471 CA GLN A 32 -8.026 9.428 17.903 1.00 0.00 C ATOM 472 C GLN A 32 -7.811 9.691 16.415 1.00 0.00 C ATOM 473 O GLN A 32 -6.877 10.386 16.031 1.00 0.00 O ATOM 474 CB GLN A 32 -7.207 8.229 18.346 1.00 0.00 C ATOM 475 CG GLN A 32 -7.276 7.972 19.836 1.00 0.00 C ATOM 476 CD GLN A 32 -6.245 6.976 20.295 1.00 0.00 C ATOM 477 OE1 GLN A 32 -6.461 6.225 21.247 1.00 0.00 O ATOM 478 NE2 GLN A 32 -5.107 6.972 19.634 1.00 0.00 N ATOM 0 H GLN A 32 -9.648 8.285 18.537 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.694 10.304 18.460 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.557 7.343 17.815 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.167 8.383 18.059 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.133 8.911 20.371 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.270 7.606 20.093 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.970 7.611 18.851 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.362 6.330 19.905 1.00 0.00 H new ATOM 487 N PHE A 33 -8.672 9.111 15.578 1.00 0.00 N ATOM 488 CA PHE A 33 -8.567 9.293 14.136 1.00 0.00 C ATOM 489 C PHE A 33 -9.852 9.856 13.538 1.00 0.00 C ATOM 490 O PHE A 33 -9.871 10.278 12.383 1.00 0.00 O ATOM 491 CB PHE A 33 -8.213 7.975 13.452 1.00 0.00 C ATOM 492 CG PHE A 33 -6.848 7.465 13.805 1.00 0.00 C ATOM 493 CD1 PHE A 33 -5.729 7.936 13.142 1.00 0.00 C ATOM 494 CD2 PHE A 33 -6.684 6.522 14.803 1.00 0.00 C ATOM 495 CE1 PHE A 33 -4.471 7.475 13.464 1.00 0.00 C ATOM 496 CE2 PHE A 33 -5.428 6.057 15.133 1.00 0.00 C ATOM 497 CZ PHE A 33 -4.318 6.535 14.462 1.00 0.00 C ATOM 0 H PHE A 33 -9.445 8.515 15.875 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.770 10.016 13.962 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.954 7.223 13.724 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.274 8.108 12.372 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.843 8.674 12.362 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.548 6.146 15.330 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.606 7.849 12.936 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.312 5.321 15.914 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.333 6.173 14.719 1.00 0.00 H new ATOM 507 N GLY A 34 -10.919 9.848 14.314 1.00 0.00 N ATOM 508 CA GLY A 34 -12.179 10.369 13.834 1.00 0.00 C ATOM 509 C GLY A 34 -13.218 10.421 14.923 1.00 0.00 C ATOM 510 O GLY A 34 -13.606 9.391 15.471 1.00 0.00 O ATOM 0 H GLY A 34 -10.937 9.490 15.269 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.027 11.370 13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.541 9.746 13.016 1.00 0.00 H new ATOM 514 N GLU A 35 -13.659 11.613 15.240 1.00 0.00 N ATOM 515 CA GLU A 35 -14.651 11.819 16.278 1.00 0.00 C ATOM 516 C GLU A 35 -16.034 11.366 15.798 1.00 0.00 C ATOM 517 O GLU A 35 -16.558 11.874 14.808 1.00 0.00 O ATOM 518 CB GLU A 35 -14.649 13.289 16.683 1.00 0.00 C ATOM 519 CG GLU A 35 -13.327 13.718 17.307 1.00 0.00 C ATOM 520 CD GLU A 35 -13.223 15.210 17.531 1.00 0.00 C ATOM 521 OE1 GLU A 35 -12.826 15.926 16.580 1.00 0.00 O ATOM 522 OE2 GLU A 35 -13.501 15.667 18.660 1.00 0.00 O ATOM 0 H GLU A 35 -13.343 12.471 14.788 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.402 11.216 17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.851 13.905 15.806 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.457 13.469 17.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.201 13.206 18.261 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.509 13.397 16.662 1.00 0.00 H new ATOM 529 N ILE A 36 -16.608 10.399 16.503 1.00 0.00 N ATOM 530 CA ILE A 36 -17.907 9.843 16.136 1.00 0.00 C ATOM 531 C ILE A 36 -18.967 10.313 17.127 1.00 0.00 C ATOM 532 O ILE A 36 -18.633 10.802 18.205 1.00 0.00 O ATOM 533 CB ILE A 36 -17.880 8.279 16.128 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.575 7.767 15.510 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.074 7.722 15.356 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.418 6.263 15.563 1.00 0.00 C ATOM 0 H ILE A 36 -16.193 9.981 17.336 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.145 10.192 15.131 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.940 7.935 17.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.526 8.091 14.470 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.734 8.228 16.028 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.036 6.633 15.363 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.999 8.056 15.826 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.041 8.080 14.327 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.470 5.980 15.106 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.434 5.932 16.601 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.237 5.792 15.020 1.00 0.00 H new ATOM 548 N LEU A 37 -20.239 10.158 16.748 1.00 0.00 N ATOM 549 CA LEU A 37 -21.374 10.538 17.584 1.00 0.00 C ATOM 550 C LEU A 37 -21.520 12.056 17.677 1.00 0.00 C ATOM 551 O LEU A 37 -21.907 12.704 16.706 1.00 0.00 O ATOM 552 CB LEU A 37 -21.275 9.910 18.985 1.00 0.00 C ATOM 553 CG LEU A 37 -21.439 8.393 19.052 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.013 7.895 20.404 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.883 8.001 18.793 1.00 0.00 C ATOM 0 H LEU A 37 -20.508 9.763 15.847 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.271 10.147 17.104 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.306 10.170 19.410 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.034 10.366 19.620 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.812 7.941 18.284 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.132 6.812 20.447 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.967 8.152 20.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.630 8.359 21.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.981 6.917 18.845 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.525 8.459 19.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.181 8.345 17.803 1.00 0.00 H new ATOM 567 N GLU A 38 -21.182 12.605 18.840 1.00 0.00 N ATOM 568 CA GLU A 38 -21.293 14.039 19.135 1.00 0.00 C ATOM 569 C GLU A 38 -20.473 14.360 20.371 1.00 0.00 C ATOM 570 O GLU A 38 -19.450 15.036 20.305 1.00 0.00 O ATOM 571 CB GLU A 38 -22.764 14.435 19.412 1.00 0.00 C ATOM 572 CG GLU A 38 -23.661 14.487 18.189 1.00 0.00 C ATOM 573 CD GLU A 38 -25.112 14.721 18.537 1.00 0.00 C ATOM 574 OE1 GLU A 38 -25.417 15.709 19.233 1.00 0.00 O ATOM 575 OE2 GLU A 38 -25.960 13.909 18.114 1.00 0.00 O ATOM 0 H GLU A 38 -20.816 12.060 19.621 1.00 0.00 H new ATOM 0 HA GLU A 38 -20.929 14.595 18.271 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.187 13.725 20.123 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -22.776 15.413 19.893 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -23.318 15.282 17.526 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.571 13.551 17.638 1.00 0.00 H new ATOM 582 N ASP A 39 -20.950 13.832 21.497 1.00 0.00 N ATOM 583 CA ASP A 39 -20.361 14.023 22.812 1.00 0.00 C ATOM 584 C ASP A 39 -20.391 15.504 23.232 1.00 0.00 C ATOM 585 O ASP A 39 -21.056 16.324 22.596 1.00 0.00 O ATOM 586 CB ASP A 39 -18.952 13.420 22.902 1.00 0.00 C ATOM 587 CG ASP A 39 -18.478 13.296 24.345 1.00 0.00 C ATOM 588 OD1 ASP A 39 -19.006 12.439 25.075 1.00 0.00 O ATOM 589 OD2 ASP A 39 -17.623 14.083 24.762 1.00 0.00 O ATOM 0 H ASP A 39 -21.782 13.242 21.515 1.00 0.00 H new ATOM 0 HA ASP A 39 -20.976 13.477 23.527 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.947 12.436 22.433 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.254 14.043 22.343 1.00 0.00 H new ATOM 594 N LEU A 40 -19.699 15.828 24.313 1.00 0.00 N ATOM 595 CA LEU A 40 -19.750 17.160 24.894 1.00 0.00 C ATOM 596 C LEU A 40 -18.546 17.427 25.814 1.00 0.00 C ATOM 597 O LEU A 40 -18.460 18.494 26.438 1.00 0.00 O ATOM 598 CB LEU A 40 -21.024 17.275 25.726 1.00 0.00 C ATOM 599 CG LEU A 40 -21.259 16.101 26.699 1.00 0.00 C ATOM 600 CD1 LEU A 40 -21.829 16.595 28.007 1.00 0.00 C ATOM 601 CD2 LEU A 40 -22.198 15.065 26.085 1.00 0.00 C ATOM 0 H LEU A 40 -19.089 15.179 24.810 1.00 0.00 H new ATOM 0 HA LEU A 40 -19.731 17.888 24.083 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -20.988 18.203 26.297 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -21.878 17.349 25.052 1.00 0.00 H new ATOM 0 HG LEU A 40 -20.294 15.631 26.890 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.987 15.750 28.677 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -21.132 17.297 28.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -22.780 17.095 27.824 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -22.348 14.247 26.790 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.157 15.531 25.860 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -21.760 14.676 25.166 1.00 0.00 H new ATOM 1035 N SER A 67 -20.162 17.750 11.712 1.00 0.00 N ATOM 1036 CA SER A 67 -19.822 18.278 10.409 1.00 0.00 C ATOM 1037 C SER A 67 -20.752 17.649 9.402 1.00 0.00 C ATOM 1038 O SER A 67 -21.287 18.307 8.516 1.00 0.00 O ATOM 1039 CB SER A 67 -18.365 17.961 10.049 1.00 0.00 C ATOM 1040 OG SER A 67 -18.044 18.415 8.741 1.00 0.00 O ATOM 0 HA SER A 67 -19.930 19.363 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.699 18.431 10.773 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.198 16.886 10.114 1.00 0.00 H new ATOM 0 HG SER A 67 -17.109 18.200 8.540 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.949 16.362 9.580 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.837 15.574 8.764 1.00 0.00 C ATOM 1048 C ARG A 68 -22.914 14.967 9.646 1.00 0.00 C ATOM 1049 O ARG A 68 -22.682 14.721 10.833 1.00 0.00 O ATOM 1050 CB ARG A 68 -21.050 14.485 8.010 1.00 0.00 C ATOM 1051 CG ARG A 68 -20.745 14.829 6.553 1.00 0.00 C ATOM 1052 CD ARG A 68 -20.068 16.187 6.385 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.645 16.177 6.751 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.656 15.884 5.889 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.942 15.500 4.651 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -16.382 15.981 6.263 1.00 0.00 N ATOM 0 H ARG A 68 -20.485 15.825 10.313 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.312 16.210 8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.111 14.303 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.618 13.555 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.104 14.056 6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.674 14.820 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.167 16.509 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.588 16.923 6.998 1.00 0.00 H new ATOM 0 HE ARG A 68 -18.394 16.405 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.914 15.427 4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.189 15.278 3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.150 16.280 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.638 15.757 5.602 1.00 0.00 H new ATOM 1070 N GLU A 69 -24.085 14.761 9.080 1.00 0.00 N ATOM 1071 CA GLU A 69 -25.225 14.258 9.831 1.00 0.00 C ATOM 1072 C GLU A 69 -25.113 12.763 10.135 1.00 0.00 C ATOM 1073 O GLU A 69 -24.474 11.994 9.394 1.00 0.00 O ATOM 1074 CB GLU A 69 -26.532 14.557 9.075 1.00 0.00 C ATOM 1075 CG GLU A 69 -27.797 14.030 9.757 1.00 0.00 C ATOM 1076 CD GLU A 69 -28.057 14.664 11.118 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -27.263 14.426 12.056 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -29.067 15.379 11.260 1.00 0.00 O ATOM 0 H GLU A 69 -24.277 14.935 8.093 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.234 14.777 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.625 15.636 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.466 14.124 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.654 14.213 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.713 12.950 9.877 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.735 12.368 11.232 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.795 10.989 11.650 1.00 0.00 C ATOM 1087 C HIS A 70 -27.247 10.618 11.914 1.00 0.00 C ATOM 1088 O HIS A 70 -28.026 11.442 12.395 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.929 10.743 12.914 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.510 11.240 14.213 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -26.179 10.419 15.097 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.491 12.466 14.792 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -26.544 11.115 16.157 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.140 12.359 16.000 1.00 0.00 N ATOM 0 H HIS A 70 -26.217 13.009 11.862 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.392 10.360 10.857 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.748 9.672 13.005 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.960 11.219 12.766 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -25.048 13.361 14.381 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -27.083 10.730 17.010 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.285 13.118 16.665 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.613 9.402 11.592 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.976 8.981 11.794 1.00 0.00 C ATOM 1104 C GLY A 71 -29.057 7.702 12.580 1.00 0.00 C ATOM 1105 O GLY A 71 -28.318 6.769 12.307 1.00 0.00 O ATOM 0 H GLY A 71 -26.995 8.695 11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.524 9.764 12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -29.461 8.844 10.827 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.955 7.672 13.557 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.180 6.500 14.408 1.00 0.00 C ATOM 1111 C ARG A 72 -28.898 5.947 15.025 1.00 0.00 C ATOM 1112 O ARG A 72 -28.501 6.350 16.120 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.934 5.400 13.648 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.365 5.769 13.299 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.064 4.667 12.503 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.116 3.394 13.236 1.00 0.00 N ATOM 1117 CZ ARG A 72 -33.893 2.349 12.899 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.819 2.474 11.955 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -33.773 1.197 13.545 1.00 0.00 N ATOM 0 H ARG A 72 -30.555 8.465 13.786 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.799 6.844 15.236 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.394 5.169 12.730 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.939 4.492 14.251 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.923 5.964 14.215 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -32.370 6.693 12.720 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -34.078 4.985 12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.542 4.518 11.558 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.521 3.296 14.058 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.945 3.368 11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.404 1.676 11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.091 1.103 14.298 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -34.362 0.405 13.289 1.00 0.00 H new ATOM 1133 N THR A 73 -28.264 5.026 14.329 1.00 0.00 N ATOM 1134 CA THR A 73 -27.078 4.377 14.825 1.00 0.00 C ATOM 1135 C THR A 73 -25.959 4.338 13.769 1.00 0.00 C ATOM 1136 O THR A 73 -25.012 3.552 13.883 1.00 0.00 O ATOM 1137 CB THR A 73 -27.419 2.948 15.280 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.179 2.272 14.260 1.00 0.00 O ATOM 1139 CG2 THR A 73 -28.221 2.966 16.573 1.00 0.00 C ATOM 0 H THR A 73 -28.559 4.710 13.405 1.00 0.00 H new ATOM 0 HA THR A 73 -26.711 4.958 15.672 1.00 0.00 H new ATOM 0 HB THR A 73 -26.483 2.418 15.453 1.00 0.00 H new ATOM 0 HG1 THR A 73 -28.390 1.363 14.558 1.00 0.00 H new ATOM 0 HG21 THR A 73 -28.450 1.944 16.874 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.639 3.453 17.355 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.150 3.515 16.417 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.062 5.194 12.752 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.076 5.219 11.676 1.00 0.00 C ATOM 1149 C TRP A 74 -24.657 6.642 11.317 1.00 0.00 C ATOM 1150 O TRP A 74 -25.461 7.571 11.369 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.626 4.497 10.428 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.994 4.966 9.989 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.190 4.398 10.320 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -27.309 6.093 9.142 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.223 5.097 9.746 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.711 6.138 9.018 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -26.545 7.070 8.481 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -29.367 7.109 8.261 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -27.203 8.035 7.735 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -28.599 8.047 7.633 1.00 0.00 C ATOM 0 H TRP A 74 -26.815 5.875 12.652 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.190 4.696 12.035 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.926 4.636 9.604 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.670 3.427 10.632 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.307 3.524 10.944 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.214 4.876 9.846 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -25.467 7.069 8.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -30.444 7.118 8.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -26.628 8.792 7.223 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -29.079 8.815 7.045 1.00 0.00 H new ATOM 1171 N THR A 75 -23.385 6.809 10.989 1.00 0.00 N ATOM 1172 CA THR A 75 -22.875 8.088 10.529 1.00 0.00 C ATOM 1173 C THR A 75 -21.797 7.886 9.469 1.00 0.00 C ATOM 1174 O THR A 75 -21.082 6.878 9.477 1.00 0.00 O ATOM 1175 CB THR A 75 -22.327 8.987 11.679 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.265 10.352 11.235 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.930 8.561 12.125 1.00 0.00 C ATOM 0 H THR A 75 -22.685 6.069 11.034 1.00 0.00 H new ATOM 0 HA THR A 75 -23.726 8.614 10.096 1.00 0.00 H new ATOM 0 HB THR A 75 -23.007 8.881 12.525 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.922 10.916 11.959 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.589 9.215 12.927 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.961 7.532 12.484 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.242 8.631 11.283 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.711 8.822 8.549 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.691 8.791 7.529 1.00 0.00 C ATOM 1187 C LYS A 76 -19.663 9.861 7.836 1.00 0.00 C ATOM 1188 O LYS A 76 -19.912 11.053 7.599 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.293 9.061 6.155 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.274 9.016 5.021 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.841 9.587 3.736 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.664 11.100 3.658 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.316 11.818 4.784 1.00 0.00 N ATOM 0 H LYS A 76 -22.343 9.620 8.489 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.229 7.804 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.074 8.326 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.771 10.040 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.385 9.578 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.960 7.986 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.349 9.120 2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.901 9.342 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.600 11.336 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.077 11.461 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.266 12.843 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -22.312 11.526 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.827 11.587 5.672 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.525 9.455 8.336 1.00 0.00 N ATOM 1208 CA LEU A 77 -17.501 10.407 8.710 1.00 0.00 C ATOM 1209 C LEU A 77 -16.264 10.253 7.856 1.00 0.00 C ATOM 1210 O LEU A 77 -15.999 9.180 7.298 1.00 0.00 O ATOM 1211 CB LEU A 77 -17.146 10.322 10.213 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.387 9.071 10.691 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.824 9.304 12.081 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.291 7.850 10.699 1.00 0.00 C ATOM 0 H LEU A 77 -18.281 8.478 8.495 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.916 11.399 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.548 11.197 10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.073 10.392 10.783 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.569 8.886 9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.289 8.414 12.411 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.139 10.152 12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.639 9.514 12.773 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.727 6.982 11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -18.132 8.024 11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.664 7.667 9.691 1.00 0.00 H new ATOM 1226 N THR A 78 -15.528 11.329 7.753 1.00 0.00 N ATOM 1227 CA THR A 78 -14.330 11.371 6.968 1.00 0.00 C ATOM 1228 C THR A 78 -13.104 11.295 7.886 1.00 0.00 C ATOM 1229 O THR A 78 -12.953 12.111 8.794 1.00 0.00 O ATOM 1230 CB THR A 78 -14.307 12.690 6.154 1.00 0.00 C ATOM 1231 OG1 THR A 78 -15.497 12.775 5.347 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.077 12.771 5.259 1.00 0.00 C ATOM 0 H THR A 78 -15.750 12.209 8.219 1.00 0.00 H new ATOM 0 HA THR A 78 -14.306 10.522 6.285 1.00 0.00 H new ATOM 0 HB THR A 78 -14.269 13.523 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.485 13.609 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.093 13.708 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.177 12.728 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.080 11.934 4.560 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.240 10.309 7.653 1.00 0.00 N ATOM 1241 CA TYR A 79 -11.057 10.122 8.494 1.00 0.00 C ATOM 1242 C TYR A 79 -9.839 10.849 7.935 1.00 0.00 C ATOM 1243 O TYR A 79 -8.772 10.848 8.557 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.746 8.634 8.669 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.641 7.934 9.669 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -12.879 7.429 9.299 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.243 7.783 10.989 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -13.692 6.795 10.220 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.048 7.151 11.913 1.00 0.00 C ATOM 1250 CZ TYR A 79 -13.270 6.659 11.525 1.00 0.00 C ATOM 1251 OH TYR A 79 -14.076 6.025 12.444 1.00 0.00 O ATOM 0 H TYR A 79 -12.334 9.632 6.896 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.285 10.555 9.468 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.839 8.137 7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.709 8.524 8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.212 7.533 8.277 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.283 8.168 11.299 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.654 6.408 9.918 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.719 7.044 12.936 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.630 6.013 13.317 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.011 11.464 6.755 1.00 0.00 N ATOM 1262 CA ALA A 80 -8.963 12.255 6.074 1.00 0.00 C ATOM 1263 C ALA A 80 -7.793 11.395 5.570 1.00 0.00 C ATOM 1264 O ALA A 80 -7.384 11.514 4.411 1.00 0.00 O ATOM 1265 CB ALA A 80 -8.460 13.389 6.968 1.00 0.00 C ATOM 0 H ALA A 80 -10.889 11.428 6.238 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.433 12.689 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.690 13.953 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.289 14.051 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.041 12.972 7.884 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.270 10.543 6.425 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.150 9.687 6.063 1.00 0.00 C ATOM 1273 C ASN A 81 -6.631 8.328 5.631 1.00 0.00 C ATOM 1274 O ASN A 81 -7.576 7.779 6.199 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.169 9.534 7.229 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.414 10.811 7.530 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -3.373 11.091 6.935 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.917 11.586 8.462 1.00 0.00 N ATOM 0 H ASN A 81 -7.601 10.421 7.382 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.633 10.165 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.715 9.222 8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.457 8.742 6.998 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.443 12.453 8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.782 11.321 8.934 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.968 7.782 4.635 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.309 6.477 4.100 1.00 0.00 C ATOM 1287 C HIS A 82 -5.842 5.384 5.061 1.00 0.00 C ATOM 1288 O HIS A 82 -6.377 4.285 5.072 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.683 6.284 2.714 1.00 0.00 C ATOM 1290 CG HIS A 82 -6.231 5.115 1.944 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -7.283 5.226 1.061 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.863 3.812 1.923 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -7.539 4.042 0.532 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -6.694 3.170 1.037 1.00 0.00 N ATOM 0 H HIS A 82 -5.177 8.228 4.171 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.392 6.410 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.835 7.192 2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.607 6.156 2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.066 3.362 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.311 3.827 -0.192 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -6.661 2.177 0.808 1.00 0.00 H new ATOM 1302 N SER A 83 -4.824 5.702 5.855 1.00 0.00 N ATOM 1303 CA SER A 83 -4.314 4.771 6.857 1.00 0.00 C ATOM 1304 C SER A 83 -5.416 4.419 7.866 1.00 0.00 C ATOM 1305 O SER A 83 -5.576 3.263 8.259 1.00 0.00 O ATOM 1306 CB SER A 83 -3.119 5.398 7.579 1.00 0.00 C ATOM 1307 OG SER A 83 -2.137 5.824 6.648 1.00 0.00 O ATOM 0 H SER A 83 -4.336 6.597 5.824 1.00 0.00 H new ATOM 0 HA SER A 83 -3.993 3.855 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.453 6.246 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.684 4.674 8.268 1.00 0.00 H new ATOM 0 HG SER A 83 -1.382 6.223 7.129 1.00 0.00 H new ATOM 1313 N SER A 84 -6.188 5.427 8.257 1.00 0.00 N ATOM 1314 CA SER A 84 -7.274 5.257 9.201 1.00 0.00 C ATOM 1315 C SER A 84 -8.410 4.439 8.586 1.00 0.00 C ATOM 1316 O SER A 84 -9.178 3.798 9.295 1.00 0.00 O ATOM 1317 CB SER A 84 -7.784 6.621 9.638 1.00 0.00 C ATOM 1318 OG SER A 84 -6.711 7.440 10.083 1.00 0.00 O ATOM 0 H SER A 84 -6.074 6.385 7.925 1.00 0.00 H new ATOM 0 HA SER A 84 -6.901 4.714 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.298 7.106 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.514 6.502 10.439 1.00 0.00 H new ATOM 0 HG SER A 84 -6.640 7.385 11.059 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.483 4.456 7.258 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.525 3.753 6.511 1.00 0.00 C ATOM 1326 C TYR A 85 -9.486 2.255 6.814 1.00 0.00 C ATOM 1327 O TYR A 85 -10.514 1.649 7.084 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.323 4.021 5.007 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.264 3.299 4.059 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.543 3.781 3.819 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.852 2.158 3.374 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.389 3.149 2.924 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.692 1.516 2.484 1.00 0.00 C ATOM 1334 CZ TYR A 85 -11.959 2.014 2.261 1.00 0.00 C ATOM 1335 OH TYR A 85 -12.794 1.389 1.359 1.00 0.00 O ATOM 0 H TYR A 85 -7.820 4.958 6.667 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.506 4.120 6.812 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.421 5.093 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.300 3.749 4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.884 4.664 4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.859 1.768 3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.380 3.540 2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.358 0.629 1.966 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.340 0.608 0.980 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.296 1.674 6.775 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.131 0.248 7.074 1.00 0.00 C ATOM 1347 C LEU A 86 -8.453 -0.063 8.539 1.00 0.00 C ATOM 1348 O LEU A 86 -9.103 -1.067 8.844 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.707 -0.233 6.748 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.333 -0.339 5.258 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.393 -1.111 4.483 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -6.095 1.034 4.642 1.00 0.00 C ATOM 0 H LEU A 86 -7.430 2.160 6.541 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.838 -0.287 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.001 0.445 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.567 -1.213 7.204 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.397 -0.893 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.105 -1.171 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.483 -2.117 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.351 -0.598 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.833 0.920 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.001 1.633 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.280 1.532 5.167 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.990 0.796 9.437 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.203 0.597 10.877 1.00 0.00 C ATOM 1366 C ARG A 87 -9.689 0.709 11.239 1.00 0.00 C ATOM 1367 O ARG A 87 -10.204 -0.069 12.041 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.390 1.609 11.691 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.882 1.430 11.580 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.137 2.443 12.439 1.00 0.00 C ATOM 1371 NE ARG A 87 -3.685 2.336 12.277 1.00 0.00 N ATOM 1372 CZ ARG A 87 -2.781 2.852 13.127 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.179 3.457 14.248 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.481 2.757 12.854 1.00 0.00 N ATOM 0 H ARG A 87 -7.465 1.638 9.201 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.863 -0.409 11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.650 2.615 11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.678 1.531 12.739 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.610 0.420 11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.577 1.539 10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.458 3.450 12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.397 2.291 13.487 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.335 1.834 11.461 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.173 3.529 14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.489 3.847 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.172 2.293 12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.795 3.149 13.499 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.365 1.674 10.631 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.782 1.917 10.882 1.00 0.00 C ATOM 1390 C ALA A 88 -12.659 0.929 10.125 1.00 0.00 C ATOM 1391 O ALA A 88 -13.847 0.833 10.377 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.147 3.343 10.510 1.00 0.00 C ATOM 0 H ALA A 88 -9.949 2.310 9.951 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.962 1.773 11.947 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.207 3.509 10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.556 4.037 11.107 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.940 3.507 9.452 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.046 0.202 9.196 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.738 -0.771 8.340 1.00 0.00 C ATOM 1400 C LEU A 89 -13.337 -1.939 9.162 1.00 0.00 C ATOM 1401 O LEU A 89 -13.986 -2.830 8.601 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.780 -1.294 7.252 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.400 -2.155 6.150 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.441 -1.360 5.375 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.324 -2.674 5.209 1.00 0.00 C ATOM 0 H LEU A 89 -11.045 0.268 9.010 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.572 -0.261 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.296 -0.437 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.997 -1.875 7.738 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.892 -3.008 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.872 -1.988 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.229 -1.033 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.969 -0.489 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.784 -3.284 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.805 -1.832 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.611 -3.278 5.770 1.00 0.00 H new ATOM 1417 N ARG A 90 -13.058 -1.938 10.484 1.00 0.00 N ATOM 1418 CA ARG A 90 -13.566 -2.953 11.429 1.00 0.00 C ATOM 1419 C ARG A 90 -15.004 -3.368 11.101 1.00 0.00 C ATOM 1420 O ARG A 90 -15.886 -2.525 10.916 1.00 0.00 O ATOM 1421 CB ARG A 90 -13.529 -2.402 12.860 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.137 -2.148 13.412 1.00 0.00 C ATOM 1423 CD ARG A 90 -11.387 -3.446 13.648 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.088 -3.227 14.288 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.585 -4.013 15.253 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -10.290 -5.051 15.711 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -8.387 -3.755 15.764 1.00 0.00 N ATOM 0 H ARG A 90 -12.472 -1.230 10.926 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.922 -3.828 11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.091 -1.469 12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.042 -3.104 13.517 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.577 -1.524 12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.211 -1.594 14.348 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.991 -4.104 14.272 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.240 -3.956 12.696 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.532 -2.429 13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.214 -5.249 15.327 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.904 -5.646 16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.848 -2.959 15.423 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.006 -4.353 16.497 1.00 0.00 H new ATOM 1441 N GLU A 91 -15.227 -4.661 11.045 1.00 0.00 N ATOM 1442 CA GLU A 91 -16.516 -5.195 10.697 1.00 0.00 C ATOM 1443 C GLU A 91 -16.878 -6.349 11.624 1.00 0.00 C ATOM 1444 O GLU A 91 -16.391 -6.423 12.760 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.496 -5.661 9.234 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.418 -6.701 8.938 1.00 0.00 C ATOM 1447 CD GLU A 91 -15.404 -7.132 7.490 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -14.791 -6.438 6.667 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -16.001 -8.178 7.171 1.00 0.00 O ATOM 0 H GLU A 91 -14.518 -5.368 11.240 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.272 -4.419 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.471 -6.078 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.342 -4.797 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.442 -6.292 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.578 -7.574 9.571 1.00 0.00 H new ATOM 1456 N HIS A 92 -17.719 -7.254 11.129 1.00 0.00 N ATOM 1457 CA HIS A 92 -18.158 -8.407 11.895 1.00 0.00 C ATOM 1458 C HIS A 92 -16.954 -9.187 12.386 1.00 0.00 C ATOM 1459 O HIS A 92 -16.103 -9.592 11.602 1.00 0.00 O ATOM 1460 CB HIS A 92 -19.064 -9.304 11.044 1.00 0.00 C ATOM 1461 CG HIS A 92 -19.609 -10.483 11.787 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -19.109 -11.755 11.644 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -20.606 -10.573 12.698 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -19.775 -12.578 12.436 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -20.685 -11.885 13.086 1.00 0.00 N ATOM 0 H HIS A 92 -18.111 -7.205 10.189 1.00 0.00 H new ATOM 0 HA HIS A 92 -18.731 -8.061 12.755 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -19.895 -8.710 10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -18.502 -9.658 10.180 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.224 -9.762 13.053 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -19.601 -13.640 12.533 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -21.343 -12.263 13.768 1.00 0.00 H new ATOM 1473 N GLY A 93 -16.890 -9.378 13.680 1.00 0.00 N ATOM 1474 CA GLY A 93 -15.760 -10.030 14.291 1.00 0.00 C ATOM 1475 C GLY A 93 -15.157 -9.132 15.334 1.00 0.00 C ATOM 1476 O GLY A 93 -14.547 -9.592 16.296 1.00 0.00 O ATOM 0 H GLY A 93 -17.615 -9.088 14.336 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.073 -10.971 14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.015 -10.274 13.533 1.00 0.00 H new ATOM 1480 N THR A 94 -15.341 -7.837 15.141 1.00 0.00 N ATOM 1481 CA THR A 94 -14.908 -6.858 16.098 1.00 0.00 C ATOM 1482 C THR A 94 -16.057 -6.556 17.051 1.00 0.00 C ATOM 1483 O THR A 94 -16.905 -5.702 16.782 1.00 0.00 O ATOM 1484 CB THR A 94 -14.423 -5.562 15.401 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.332 -5.874 14.517 1.00 0.00 O ATOM 1486 CG2 THR A 94 -13.962 -4.520 16.417 1.00 0.00 C ATOM 0 H THR A 94 -15.794 -7.445 14.316 1.00 0.00 H new ATOM 0 HA THR A 94 -14.062 -7.260 16.656 1.00 0.00 H new ATOM 0 HB THR A 94 -15.260 -5.147 14.840 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.474 -5.433 13.653 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.629 -3.624 15.893 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.790 -4.266 17.079 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.138 -4.925 17.005 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.103 -7.295 18.136 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.152 -7.150 19.112 1.00 0.00 C ATOM 1496 C ILE A 95 -16.722 -6.209 20.212 1.00 0.00 C ATOM 1497 O ILE A 95 -15.665 -6.384 20.827 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.564 -8.526 19.705 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.132 -9.431 18.597 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.579 -8.354 20.833 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.403 -10.857 19.037 1.00 0.00 C ATOM 0 H ILE A 95 -15.414 -8.012 18.364 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.022 -6.728 18.609 1.00 0.00 H new ATOM 0 HB ILE A 95 -16.676 -9.000 20.124 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.060 -8.994 18.227 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.432 -9.447 17.762 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -18.851 -9.332 21.230 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.142 -7.748 21.627 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.470 -7.859 20.448 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.801 -11.427 18.198 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.475 -11.315 19.379 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.128 -10.855 19.851 1.00 0.00 H new ATOM 1513 N TYR A 96 -17.528 -5.201 20.436 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.257 -4.217 21.446 1.00 0.00 C ATOM 1515 C TYR A 96 -18.482 -4.041 22.339 1.00 0.00 C ATOM 1516 O TYR A 96 -19.589 -3.826 21.846 1.00 0.00 O ATOM 1517 CB TYR A 96 -16.882 -2.878 20.792 1.00 0.00 C ATOM 1518 CG TYR A 96 -16.365 -1.848 21.766 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -15.014 -1.770 22.055 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -17.225 -0.958 22.397 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -14.529 -0.841 22.945 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -16.748 -0.022 23.292 1.00 0.00 C ATOM 1523 CZ TYR A 96 -15.397 0.031 23.560 1.00 0.00 C ATOM 1524 OH TYR A 96 -14.914 0.951 24.453 1.00 0.00 O ATOM 0 H TYR A 96 -18.393 -5.042 19.919 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.419 -4.555 22.056 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.124 -3.056 20.030 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -17.757 -2.475 20.282 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.328 -2.451 21.573 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -18.283 -0.999 22.184 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.472 -0.796 23.160 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -17.427 0.663 23.778 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.997 1.194 24.208 1.00 0.00 H new ATOM 1534 N CYS A 97 -18.278 -4.176 23.645 1.00 0.00 N ATOM 1535 CA CYS A 97 -19.336 -3.983 24.645 1.00 0.00 C ATOM 1536 C CYS A 97 -20.432 -5.072 24.545 1.00 0.00 C ATOM 1537 O CYS A 97 -21.477 -4.978 25.193 1.00 0.00 O ATOM 1538 CB CYS A 97 -19.946 -2.574 24.498 1.00 0.00 C ATOM 1539 SG CYS A 97 -20.875 -1.993 25.938 1.00 0.00 S ATOM 0 H CYS A 97 -17.374 -4.423 24.047 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.886 -4.076 25.633 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -19.143 -1.866 24.292 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -20.607 -2.568 23.631 1.00 0.00 H new ATOM 0 HG CYS A 97 -20.385 -0.859 26.342 1.00 0.00 H new ATOM 1545 N GLY A 98 -20.180 -6.108 23.752 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.144 -7.192 23.632 1.00 0.00 C ATOM 1547 C GLY A 98 -21.746 -7.320 22.241 1.00 0.00 C ATOM 1548 O GLY A 98 -22.441 -8.299 21.951 1.00 0.00 O ATOM 0 H GLY A 98 -19.334 -6.219 23.194 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -20.657 -8.131 23.896 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -21.946 -7.035 24.353 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.488 -6.347 21.381 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.014 -6.375 20.021 1.00 0.00 C ATOM 1554 C ALA A 99 -20.931 -6.038 19.016 1.00 0.00 C ATOM 1555 O ALA A 99 -19.972 -5.348 19.345 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.182 -5.411 19.883 1.00 0.00 C ATOM 0 H ALA A 99 -20.919 -5.529 21.598 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.368 -7.385 19.815 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.563 -5.444 18.862 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -23.974 -5.697 20.575 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -22.848 -4.399 20.113 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.073 -6.532 17.802 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.095 -6.264 16.767 1.00 0.00 C ATOM 1564 C ALA A 100 -20.445 -4.998 16.009 1.00 0.00 C ATOM 1565 O ALA A 100 -21.575 -4.828 15.554 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.987 -7.439 15.805 1.00 0.00 C ATOM 0 H ALA A 100 -21.854 -7.119 17.509 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.128 -6.123 17.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.247 -7.214 15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.682 -8.331 16.353 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.955 -7.615 15.335 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.476 -4.117 15.881 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.659 -2.884 15.146 1.00 0.00 C ATOM 1574 C ILE A 101 -19.310 -3.097 13.684 1.00 0.00 C ATOM 1575 O ILE A 101 -18.383 -3.848 13.358 1.00 0.00 O ATOM 1576 CB ILE A 101 -18.810 -1.719 15.734 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.315 -2.081 15.757 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.305 -1.355 17.129 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.417 -0.941 16.196 1.00 0.00 C ATOM 0 H ILE A 101 -18.545 -4.234 16.281 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.708 -2.600 15.236 1.00 0.00 H new ATOM 0 HB ILE A 101 -18.929 -0.849 15.089 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.166 -2.928 16.427 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.014 -2.406 14.761 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -18.702 -0.539 17.528 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.348 -1.043 17.075 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.219 -2.223 17.783 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.378 -1.272 16.187 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.536 -0.100 15.513 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.690 -0.630 17.204 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.062 -2.470 12.808 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.833 -2.642 11.402 1.00 0.00 C ATOM 1593 C GLY A 102 -19.523 -1.347 10.706 1.00 0.00 C ATOM 1594 O GLY A 102 -20.290 -0.388 10.785 1.00 0.00 O ATOM 0 H GLY A 102 -20.830 -1.843 13.047 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.006 -3.337 11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.714 -3.094 10.946 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.397 -1.311 10.044 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.995 -0.160 9.290 1.00 0.00 C ATOM 1600 C CYS A 103 -17.583 -0.586 7.896 1.00 0.00 C ATOM 1601 O CYS A 103 -16.743 -1.476 7.729 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.855 0.559 9.989 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.311 2.061 9.159 1.00 0.00 S ATOM 0 H CYS A 103 -17.732 -2.084 10.014 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.835 0.531 9.215 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -17.166 0.810 11.003 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.009 -0.122 10.075 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.028 2.201 9.312 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.186 0.023 6.902 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.897 -0.305 5.520 1.00 0.00 C ATOM 1611 C VAL A 104 -17.711 0.961 4.699 1.00 0.00 C ATOM 1612 O VAL A 104 -18.135 2.046 5.119 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.032 -1.167 4.881 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.132 -2.532 5.548 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.368 -0.443 4.948 1.00 0.00 C ATOM 0 H VAL A 104 -18.886 0.755 7.024 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.975 -0.887 5.515 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.776 -1.321 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -19.931 -3.108 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.187 -3.063 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.350 -2.404 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.142 -1.064 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.623 -0.245 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.298 0.500 4.406 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.066 0.853 3.524 1.00 0.00 N ATOM 1626 CA PRO A 105 -16.893 1.987 2.617 1.00 0.00 C ATOM 1627 C PRO A 105 -18.242 2.551 2.169 1.00 0.00 C ATOM 1628 O PRO A 105 -19.249 1.829 2.142 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.143 1.384 1.416 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.348 -0.084 1.538 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.415 -0.359 3.007 1.00 0.00 C ATOM 0 HA PRO A 105 -16.361 2.815 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.538 1.762 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.084 1.639 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.266 -0.395 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.530 -0.634 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -16.993 -1.256 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.425 -0.504 3.439 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.260 3.836 1.832 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.492 4.508 1.427 1.00 0.00 C ATOM 1641 C TYR A 106 -20.173 3.797 0.268 1.00 0.00 C ATOM 1642 O TYR A 106 -19.572 3.571 -0.783 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.215 5.962 1.040 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.452 6.708 0.567 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.352 7.236 1.477 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.716 6.881 -0.792 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.479 7.914 1.056 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.844 7.557 -1.219 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.720 8.071 -0.290 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.837 8.753 -0.707 1.00 0.00 O ATOM 0 H TYR A 106 -17.434 4.435 1.831 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.163 4.482 2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.791 6.484 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.463 5.983 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.169 7.116 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.028 6.480 -1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.169 8.320 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.036 7.681 -2.274 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.860 8.776 -1.686 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.430 3.448 0.477 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.240 2.835 -0.552 1.00 0.00 C ATOM 1662 C LYS A 107 -23.610 3.500 -0.575 1.00 0.00 C ATOM 1663 O LYS A 107 -24.191 3.771 0.478 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.365 1.319 -0.324 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.039 0.576 -0.435 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.209 -0.920 -0.260 1.00 0.00 C ATOM 1667 CE LYS A 107 -19.868 -1.636 -0.341 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.015 -3.111 -0.241 1.00 0.00 N ATOM 0 H LYS A 107 -21.914 3.583 1.365 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.758 2.978 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.790 1.142 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.065 0.907 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.591 0.778 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.348 0.953 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -21.677 -1.126 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -21.878 -1.306 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.379 -1.384 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -19.219 -1.282 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.078 -3.558 -0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.458 -3.355 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.612 -3.454 -1.020 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.123 3.753 -1.768 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.393 4.453 -1.926 1.00 0.00 C ATOM 1684 C HIS A 108 -26.561 3.634 -1.372 1.00 0.00 C ATOM 1685 O HIS A 108 -27.445 4.177 -0.705 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.640 4.795 -3.404 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.924 5.552 -3.653 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -28.060 4.956 -4.156 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -27.236 6.858 -3.480 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -29.015 5.865 -4.281 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -28.538 7.025 -3.880 1.00 0.00 N ATOM 0 H HIS A 108 -23.679 3.484 -2.646 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.331 5.378 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.803 5.387 -3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.657 3.871 -3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -26.581 7.627 -3.098 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -30.014 5.686 -4.649 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -29.053 7.905 -3.869 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.548 2.333 -1.629 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.635 1.458 -1.200 1.00 0.00 C ATOM 1701 C GLU A 109 -27.727 1.380 0.317 1.00 0.00 C ATOM 1702 O GLU A 109 -28.825 1.414 0.877 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.472 0.057 -1.789 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.615 -0.884 -1.438 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.459 -2.253 -2.051 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.736 -3.091 -1.473 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.069 -2.506 -3.121 1.00 0.00 O ATOM 0 H GLU A 109 -25.798 1.859 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.563 1.891 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.395 0.134 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.536 -0.372 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.678 -0.982 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.555 -0.446 -1.774 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.575 1.317 0.980 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.542 1.218 2.433 1.00 0.00 C ATOM 1716 C LEU A 110 -27.208 2.436 3.063 1.00 0.00 C ATOM 1717 O LEU A 110 -28.042 2.306 3.950 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.097 1.106 2.927 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.914 1.064 4.452 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.500 -0.213 5.041 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.450 1.200 4.815 1.00 0.00 C ATOM 0 H LEU A 110 -25.657 1.333 0.535 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.088 0.322 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.656 0.204 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.532 1.952 2.535 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.456 1.907 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.356 -0.215 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.566 -0.261 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.998 -1.078 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.339 1.168 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.887 0.380 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.069 2.149 4.439 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.861 3.616 2.572 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.434 4.847 3.080 1.00 0.00 C ATOM 1735 C ILE A 111 -28.928 4.904 2.789 1.00 0.00 C ATOM 1736 O ILE A 111 -29.726 5.286 3.649 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.742 6.092 2.467 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.226 6.040 2.701 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.328 7.379 3.040 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.825 6.042 4.163 1.00 0.00 C ATOM 0 H ILE A 111 -26.183 3.744 1.820 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.274 4.857 4.158 1.00 0.00 H new ATOM 0 HB ILE A 111 -26.925 6.084 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.827 5.143 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.763 6.895 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.826 8.238 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.394 7.425 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.184 7.395 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.739 6.004 4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.192 6.951 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.256 5.173 4.660 1.00 0.00 H new ATOM 1752 N SER A 112 -29.300 4.516 1.576 1.00 0.00 N ATOM 1753 CA SER A 112 -30.690 4.556 1.153 1.00 0.00 C ATOM 1754 C SER A 112 -31.581 3.659 2.022 1.00 0.00 C ATOM 1755 O SER A 112 -32.633 4.098 2.488 1.00 0.00 O ATOM 1756 CB SER A 112 -30.803 4.158 -0.319 1.00 0.00 C ATOM 1757 OG SER A 112 -29.991 4.997 -1.127 1.00 0.00 O ATOM 0 H SER A 112 -28.654 4.169 0.867 1.00 0.00 H new ATOM 0 HA SER A 112 -31.044 5.580 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.500 3.119 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.842 4.228 -0.642 1.00 0.00 H new ATOM 0 HG SER A 112 -29.068 4.669 -1.115 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.147 2.419 2.275 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.954 1.504 3.083 1.00 0.00 C ATOM 1765 C GLU A 113 -32.024 1.967 4.532 1.00 0.00 C ATOM 1766 O GLU A 113 -33.064 1.829 5.187 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.466 0.050 2.988 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.060 -0.199 3.509 1.00 0.00 C ATOM 1769 CD GLU A 113 -29.691 -1.666 3.480 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -30.046 -2.393 4.436 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.048 -2.107 2.509 1.00 0.00 O ATOM 0 H GLU A 113 -30.263 2.035 1.941 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.962 1.525 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -32.158 -0.585 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -31.510 -0.263 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -29.347 0.365 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.982 0.173 4.530 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.918 2.513 5.030 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.865 3.048 6.377 1.00 0.00 C ATOM 1780 C LEU A 114 -31.818 4.228 6.531 1.00 0.00 C ATOM 1781 O LEU A 114 -32.506 4.354 7.534 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.450 3.489 6.717 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.421 2.378 6.862 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.044 2.971 6.990 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.727 1.503 8.063 1.00 0.00 C ATOM 0 H LEU A 114 -30.043 2.594 4.512 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.170 2.258 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.108 4.174 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.481 4.053 7.650 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.463 1.753 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.311 2.171 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.817 3.558 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.005 3.614 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.975 0.718 8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.714 2.110 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.712 1.052 7.943 1.00 0.00 H new ATOM 1797 N SER A 115 -31.830 5.095 5.525 1.00 0.00 N ATOM 1798 CA SER A 115 -32.674 6.281 5.535 1.00 0.00 C ATOM 1799 C SER A 115 -34.158 5.945 5.361 1.00 0.00 C ATOM 1800 O SER A 115 -35.013 6.513 6.036 1.00 0.00 O ATOM 1801 CB SER A 115 -32.223 7.249 4.440 1.00 0.00 C ATOM 1802 OG SER A 115 -30.864 7.627 4.624 1.00 0.00 O ATOM 0 H SER A 115 -31.259 4.996 4.686 1.00 0.00 H new ATOM 0 HA SER A 115 -32.564 6.750 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.345 6.782 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.856 8.136 4.450 1.00 0.00 H new ATOM 0 HG SER A 115 -30.279 6.899 4.327 1.00 0.00 H new