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 18 TYR OH : rot -129:sc= -1.53! USER MOD Set 1.2: A 75 THR OG1 : rot 99:sc= 0.122 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 23 THR OG1 : rot 161:sc= 1.04 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0247 (180deg=-0.255) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 29 TYR OH : rot 165:sc= 0.199 USER MOD Single : A 32 GLN : amide:sc= -0.0351 K(o=-0.035,f=-0.56) USER MOD Single : A 67 SER OG : rot 25:sc= 0.296 USER MOD Single : A 70 HIS : no HD1:sc= 0.217 K(o=0.5,f=-6.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 1.13 (180deg=0.871) 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= 0.577 K(o=0.58,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.0263 K(o=0.026,f=-0.66) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 85 TYR OH : rot 15:sc= -0.385 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot -6:sc= -2.21! USER MOD Single : A 96 TYR OH : rot -140:sc= 0.168 USER MOD Single : A 97 CYS SG : rot -36:sc= -0.0834 USER MOD Single : A 103 CYS SG : rot -144:sc= -2.5! USER MOD Single : A 106 TYR OH : rot 60:sc= 1.13 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 180:sc= 0 USER MOD Single : A 115 SER OG : rot -75:sc= 0.895 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.576 9.520 1.706 1.00 0.00 N ATOM 131 CA ASN A 11 -12.158 8.679 2.814 1.00 0.00 C ATOM 132 C ASN A 11 -13.273 8.541 3.837 1.00 0.00 C ATOM 133 O ASN A 11 -13.023 8.255 5.013 1.00 0.00 O ATOM 134 CB ASN A 11 -10.899 9.248 3.484 1.00 0.00 C ATOM 135 CG ASN A 11 -9.724 9.392 2.530 1.00 0.00 C ATOM 136 OD1 ASN A 11 -8.977 8.448 2.295 1.00 0.00 O ATOM 137 ND2 ASN A 11 -9.555 10.583 1.978 1.00 0.00 N ATOM 0 HA ASN A 11 -11.926 7.691 2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.132 10.223 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.610 8.598 4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.782 10.740 1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.198 11.343 2.199 1.00 0.00 H new ATOM 144 N ALA A 12 -14.495 8.760 3.392 1.00 0.00 N ATOM 145 CA ALA A 12 -15.648 8.677 4.266 1.00 0.00 C ATOM 146 C ALA A 12 -16.158 7.245 4.366 1.00 0.00 C ATOM 147 O ALA A 12 -16.339 6.563 3.353 1.00 0.00 O ATOM 148 CB ALA A 12 -16.752 9.598 3.770 1.00 0.00 C ATOM 0 H ALA A 12 -14.715 8.998 2.425 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.342 8.997 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.612 9.526 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.389 10.626 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.047 9.303 2.763 1.00 0.00 H new ATOM 154 N VAL A 13 -16.390 6.803 5.587 1.00 0.00 N ATOM 155 CA VAL A 13 -16.906 5.465 5.846 1.00 0.00 C ATOM 156 C VAL A 13 -18.096 5.552 6.783 1.00 0.00 C ATOM 157 O VAL A 13 -18.296 6.573 7.438 1.00 0.00 O ATOM 158 CB VAL A 13 -15.833 4.544 6.480 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.674 4.330 5.529 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.341 5.118 7.803 1.00 0.00 C ATOM 0 H VAL A 13 -16.228 7.357 6.428 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.201 5.035 4.889 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.295 3.576 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.934 3.680 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.037 3.865 4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.216 5.290 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.589 4.455 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.903 6.102 7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.179 5.209 8.494 1.00 0.00 H new ATOM 170 N VAL A 14 -18.889 4.505 6.839 1.00 0.00 N ATOM 171 CA VAL A 14 -20.045 4.497 7.708 1.00 0.00 C ATOM 172 C VAL A 14 -19.899 3.423 8.774 1.00 0.00 C ATOM 173 O VAL A 14 -19.789 2.238 8.458 1.00 0.00 O ATOM 174 CB VAL A 14 -21.352 4.252 6.912 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.564 4.287 7.839 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.500 5.276 5.794 1.00 0.00 C ATOM 0 H VAL A 14 -18.756 3.652 6.296 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.104 5.478 8.180 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.296 3.261 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.471 4.113 7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.464 3.511 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.624 5.262 8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.424 5.087 5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.530 6.279 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.653 5.196 5.113 1.00 0.00 H new ATOM 186 N VAL A 15 -19.900 3.841 10.032 1.00 0.00 N ATOM 187 CA VAL A 15 -19.815 2.908 11.138 1.00 0.00 C ATOM 188 C VAL A 15 -21.191 2.782 11.782 1.00 0.00 C ATOM 189 O VAL A 15 -21.818 3.795 12.125 1.00 0.00 O ATOM 190 CB VAL A 15 -18.803 3.369 12.220 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.592 2.275 13.252 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.476 3.765 11.604 1.00 0.00 C ATOM 0 H VAL A 15 -19.959 4.821 10.308 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.471 1.953 10.741 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.223 4.246 12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -17.879 2.616 14.003 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.542 2.040 13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.203 1.382 12.762 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.791 4.083 12.390 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.051 2.912 11.075 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.630 4.586 10.904 1.00 0.00 H new ATOM 202 N PHE A 16 -21.656 1.560 11.943 1.00 0.00 N ATOM 203 CA PHE A 16 -22.967 1.303 12.517 1.00 0.00 C ATOM 204 C PHE A 16 -22.915 0.155 13.518 1.00 0.00 C ATOM 205 O PHE A 16 -21.933 -0.591 13.570 1.00 0.00 O ATOM 206 CB PHE A 16 -23.993 1.001 11.404 1.00 0.00 C ATOM 207 CG PHE A 16 -23.599 -0.127 10.476 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.875 -1.447 10.799 1.00 0.00 C ATOM 209 CD2 PHE A 16 -22.952 0.139 9.274 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.517 -2.474 9.947 1.00 0.00 C ATOM 211 CE2 PHE A 16 -22.591 -0.888 8.419 1.00 0.00 C ATOM 212 CZ PHE A 16 -22.875 -2.196 8.757 1.00 0.00 C ATOM 0 H PHE A 16 -21.141 0.719 11.682 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.282 2.200 13.050 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -24.950 0.757 11.866 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.145 1.904 10.813 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.376 -1.675 11.728 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.728 1.160 9.004 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.740 -3.497 10.213 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.088 -0.666 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.596 -3.000 8.092 1.00 0.00 H new ATOM 222 N GLY A 17 -23.973 0.021 14.312 1.00 0.00 N ATOM 223 CA GLY A 17 -24.035 -1.047 15.301 1.00 0.00 C ATOM 224 C GLY A 17 -24.140 -0.521 16.718 1.00 0.00 C ATOM 225 O GLY A 17 -24.349 -1.284 17.660 1.00 0.00 O ATOM 0 H GLY A 17 -24.790 0.632 14.290 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.893 -1.684 15.089 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.145 -1.671 15.214 1.00 0.00 H new ATOM 229 N TYR A 18 -24.017 0.781 16.865 1.00 0.00 N ATOM 230 CA TYR A 18 -24.082 1.418 18.167 1.00 0.00 C ATOM 231 C TYR A 18 -25.289 2.333 18.285 1.00 0.00 C ATOM 232 O TYR A 18 -26.037 2.525 17.325 1.00 0.00 O ATOM 233 CB TYR A 18 -22.789 2.172 18.463 1.00 0.00 C ATOM 234 CG TYR A 18 -22.348 3.108 17.373 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.783 4.426 17.332 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.491 2.670 16.379 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.372 5.272 16.326 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.079 3.507 15.381 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.518 4.798 15.352 1.00 0.00 C ATOM 240 OH TYR A 18 -21.102 5.620 14.348 1.00 0.00 O ATOM 0 H TYR A 18 -23.870 1.427 16.090 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.199 0.633 18.914 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.918 2.742 19.383 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.995 1.448 18.646 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.451 4.792 18.098 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.142 1.648 16.392 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.715 6.296 16.300 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.407 3.147 14.616 1.00 0.00 H new ATOM 0 HH TYR A 18 -21.256 5.185 13.484 1.00 0.00 H new ATOM 250 N ARG A 19 -25.473 2.879 19.469 1.00 0.00 N ATOM 251 CA ARG A 19 -26.610 3.726 19.770 1.00 0.00 C ATOM 252 C ARG A 19 -26.160 5.096 20.264 1.00 0.00 C ATOM 253 O ARG A 19 -25.081 5.232 20.854 1.00 0.00 O ATOM 254 CB ARG A 19 -27.483 3.048 20.836 1.00 0.00 C ATOM 255 CG ARG A 19 -28.603 3.922 21.361 1.00 0.00 C ATOM 256 CD ARG A 19 -29.434 3.209 22.408 1.00 0.00 C ATOM 257 NE ARG A 19 -30.472 4.085 22.937 1.00 0.00 N ATOM 258 CZ ARG A 19 -30.929 4.044 24.188 1.00 0.00 C ATOM 259 NH1 ARG A 19 -30.498 3.107 25.032 1.00 0.00 N ATOM 260 NH2 ARG A 19 -31.826 4.934 24.590 1.00 0.00 N ATOM 0 H ARG A 19 -24.835 2.747 20.254 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.186 3.869 18.856 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.912 2.139 20.415 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.850 2.745 21.670 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -28.183 4.832 21.789 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -29.244 4.226 20.534 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.891 2.321 21.972 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -28.790 2.871 23.220 1.00 0.00 H new ATOM 0 HE ARG A 19 -30.876 4.777 22.306 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -29.815 2.416 24.722 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -30.851 3.081 25.988 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -32.163 5.646 23.942 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -32.179 4.906 25.547 1.00 0.00 H new ATOM 274 N GLU A 20 -26.996 6.107 20.007 1.00 0.00 N ATOM 275 CA GLU A 20 -26.761 7.466 20.468 1.00 0.00 C ATOM 276 C GLU A 20 -26.870 7.533 22.000 1.00 0.00 C ATOM 277 O GLU A 20 -27.898 7.954 22.551 1.00 0.00 O ATOM 278 CB GLU A 20 -27.778 8.410 19.823 1.00 0.00 C ATOM 279 CG GLU A 20 -27.589 9.881 20.156 1.00 0.00 C ATOM 280 CD GLU A 20 -28.682 10.742 19.561 1.00 0.00 C ATOM 281 OE1 GLU A 20 -29.853 10.569 19.951 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.382 11.592 18.702 1.00 0.00 O ATOM 0 H GLU A 20 -27.857 5.998 19.470 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.756 7.773 20.179 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.729 8.289 18.741 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.779 8.108 20.132 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.576 10.009 21.238 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.621 10.216 19.784 1.00 0.00 H new ATOM 289 N ALA A 21 -25.819 7.073 22.672 1.00 0.00 N ATOM 290 CA ALA A 21 -25.754 7.061 24.135 1.00 0.00 C ATOM 291 C ALA A 21 -24.384 6.591 24.616 1.00 0.00 C ATOM 292 O ALA A 21 -23.906 7.007 25.666 1.00 0.00 O ATOM 293 CB ALA A 21 -26.839 6.159 24.713 1.00 0.00 C ATOM 0 H ALA A 21 -24.986 6.697 22.220 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.916 8.081 24.484 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.774 6.163 25.801 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.819 6.526 24.406 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.701 5.142 24.345 1.00 0.00 H new ATOM 299 N ILE A 22 -23.756 5.731 23.828 1.00 0.00 N ATOM 300 CA ILE A 22 -22.451 5.159 24.174 1.00 0.00 C ATOM 301 C ILE A 22 -21.302 6.061 23.704 1.00 0.00 C ATOM 302 O ILE A 22 -20.216 5.570 23.363 1.00 0.00 O ATOM 303 CB ILE A 22 -22.263 3.774 23.515 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.239 3.916 21.984 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.376 2.826 23.945 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.353 2.908 21.305 1.00 0.00 C ATOM 0 H ILE A 22 -24.129 5.408 22.935 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.429 5.067 25.260 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.311 3.357 23.842 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.254 3.813 21.601 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.901 4.919 21.725 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.229 1.855 23.472 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.356 2.709 25.029 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.340 3.235 23.642 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.383 3.065 20.227 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.329 3.025 21.661 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.704 1.902 21.535 1.00 0.00 H new ATOM 318 N THR A 23 -21.512 7.365 23.746 1.00 0.00 N ATOM 319 CA THR A 23 -20.549 8.304 23.195 1.00 0.00 C ATOM 320 C THR A 23 -19.183 8.183 23.864 1.00 0.00 C ATOM 321 O THR A 23 -18.190 7.976 23.198 1.00 0.00 O ATOM 322 CB THR A 23 -21.046 9.742 23.372 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.434 9.825 23.022 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.242 10.688 22.493 1.00 0.00 C ATOM 0 H THR A 23 -22.340 7.798 24.155 1.00 0.00 H new ATOM 0 HA THR A 23 -20.445 8.062 22.137 1.00 0.00 H new ATOM 0 HB THR A 23 -20.918 10.030 24.415 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.824 10.632 23.419 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.605 11.707 22.628 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.190 10.638 22.772 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.355 10.398 21.448 1.00 0.00 H new ATOM 332 N LYS A 24 -19.155 8.254 25.182 1.00 0.00 N ATOM 333 CA LYS A 24 -17.905 8.166 25.931 1.00 0.00 C ATOM 334 C LYS A 24 -17.247 6.808 25.770 1.00 0.00 C ATOM 335 O LYS A 24 -16.024 6.701 25.734 1.00 0.00 O ATOM 336 CB LYS A 24 -18.131 8.477 27.413 1.00 0.00 C ATOM 337 CG LYS A 24 -18.009 9.957 27.781 1.00 0.00 C ATOM 338 CD LYS A 24 -18.875 10.863 26.907 1.00 0.00 C ATOM 339 CE LYS A 24 -18.852 12.290 27.422 1.00 0.00 C ATOM 340 NZ LYS A 24 -17.468 12.816 27.520 1.00 0.00 N ATOM 0 H LYS A 24 -19.985 8.373 25.762 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.229 8.914 25.518 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.123 8.127 27.697 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.412 7.909 28.003 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.292 10.091 28.825 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.967 10.263 27.691 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.514 10.837 25.879 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.900 10.492 26.895 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.437 12.926 26.758 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.327 12.331 28.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.497 13.846 27.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.984 12.371 28.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.952 12.600 26.643 1.00 0.00 H new ATOM 354 N GLN A 25 -18.068 5.782 25.673 1.00 0.00 N ATOM 355 CA GLN A 25 -17.582 4.418 25.573 1.00 0.00 C ATOM 356 C GLN A 25 -16.756 4.193 24.305 1.00 0.00 C ATOM 357 O GLN A 25 -15.541 3.994 24.364 1.00 0.00 O ATOM 358 CB GLN A 25 -18.750 3.440 25.573 1.00 0.00 C ATOM 359 CG GLN A 25 -19.542 3.411 26.855 1.00 0.00 C ATOM 360 CD GLN A 25 -20.706 2.446 26.784 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.684 1.478 26.025 1.00 0.00 O ATOM 362 NE2 GLN A 25 -21.733 2.706 27.559 1.00 0.00 N ATOM 0 H GLN A 25 -19.084 5.867 25.661 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.942 4.246 26.439 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.421 3.695 24.752 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.369 2.439 25.374 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.887 3.128 27.679 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.914 4.412 27.073 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.714 3.519 28.175 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.550 2.095 27.545 1.00 0.00 H new ATOM 371 N ILE A 26 -17.422 4.229 23.167 1.00 0.00 N ATOM 372 CA ILE A 26 -16.798 3.914 21.906 1.00 0.00 C ATOM 373 C ILE A 26 -15.788 4.986 21.471 1.00 0.00 C ATOM 374 O ILE A 26 -14.790 4.682 20.803 1.00 0.00 O ATOM 375 CB ILE A 26 -17.871 3.680 20.818 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.274 2.932 19.651 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.492 5.000 20.353 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.310 2.339 18.724 1.00 0.00 C ATOM 0 H ILE A 26 -18.409 4.477 23.095 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.233 2.992 22.041 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.668 3.077 21.253 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.635 3.609 19.084 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.636 2.133 20.029 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.242 4.800 19.588 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.962 5.499 21.200 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.714 5.642 19.939 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.811 1.816 17.908 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.934 1.637 19.277 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.933 3.136 18.317 1.00 0.00 H new ATOM 390 N LEU A 27 -16.037 6.229 21.868 1.00 0.00 N ATOM 391 CA LEU A 27 -15.173 7.332 21.492 1.00 0.00 C ATOM 392 C LEU A 27 -13.779 7.165 22.081 1.00 0.00 C ATOM 393 O LEU A 27 -12.814 7.553 21.477 1.00 0.00 O ATOM 394 CB LEU A 27 -15.778 8.679 21.890 1.00 0.00 C ATOM 395 CG LEU A 27 -15.040 9.920 21.392 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.978 9.933 19.872 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.722 11.171 21.894 1.00 0.00 C ATOM 0 H LEU A 27 -16.831 6.494 22.450 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.082 7.319 20.406 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.803 8.718 21.520 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.830 8.724 22.978 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.022 9.893 21.780 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.448 10.825 19.537 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.451 9.045 19.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.990 9.938 19.467 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.186 12.048 21.532 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.749 11.197 21.529 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.724 11.172 22.984 1.00 0.00 H new ATOM 409 N ALA A 28 -13.683 6.567 23.259 1.00 0.00 N ATOM 410 CA ALA A 28 -12.382 6.348 23.899 1.00 0.00 C ATOM 411 C ALA A 28 -11.415 5.606 22.960 1.00 0.00 C ATOM 412 O ALA A 28 -10.196 5.771 23.050 1.00 0.00 O ATOM 413 CB ALA A 28 -12.559 5.567 25.196 1.00 0.00 C ATOM 0 H ALA A 28 -14.481 6.224 23.793 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.950 7.323 24.125 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.586 5.410 25.662 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.200 6.129 25.875 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.017 4.602 24.980 1.00 0.00 H new ATOM 419 N TYR A 29 -11.965 4.797 22.061 1.00 0.00 N ATOM 420 CA TYR A 29 -11.160 4.058 21.098 1.00 0.00 C ATOM 421 C TYR A 29 -11.014 4.820 19.769 1.00 0.00 C ATOM 422 O TYR A 29 -9.915 4.931 19.218 1.00 0.00 O ATOM 423 CB TYR A 29 -11.775 2.670 20.838 1.00 0.00 C ATOM 424 CG TYR A 29 -10.975 1.805 19.881 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.962 0.969 20.340 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.236 1.828 18.515 1.00 0.00 C ATOM 427 CE1 TYR A 29 -9.236 0.184 19.461 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.516 1.051 17.633 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.516 0.231 18.109 1.00 0.00 C ATOM 430 OH TYR A 29 -8.793 -0.552 17.230 1.00 0.00 O ATOM 0 H TYR A 29 -12.969 4.637 21.980 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.166 3.940 21.529 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.874 2.145 21.788 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.781 2.800 20.439 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.739 0.932 21.396 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.019 2.468 18.137 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.454 -0.463 19.831 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.734 1.085 16.576 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.257 -0.590 16.368 1.00 0.00 H new ATOM 440 N PHE A 30 -12.122 5.360 19.272 1.00 0.00 N ATOM 441 CA PHE A 30 -12.147 5.988 17.944 1.00 0.00 C ATOM 442 C PHE A 30 -11.795 7.481 17.945 1.00 0.00 C ATOM 443 O PHE A 30 -11.655 8.077 16.883 1.00 0.00 O ATOM 444 CB PHE A 30 -13.496 5.771 17.262 1.00 0.00 C ATOM 445 CG PHE A 30 -13.710 4.370 16.754 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.280 4.012 15.485 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.340 3.417 17.538 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.475 2.729 15.007 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.542 2.133 17.063 1.00 0.00 C ATOM 450 CZ PHE A 30 -14.105 1.789 15.799 1.00 0.00 C ATOM 0 H PHE A 30 -13.016 5.378 19.763 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.360 5.489 17.378 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.291 6.016 17.967 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.585 6.466 16.427 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.787 4.744 14.863 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.677 3.679 18.530 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.136 2.463 14.017 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.041 1.401 17.680 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.256 0.785 15.430 1.00 0.00 H new ATOM 460 N ALA A 31 -11.659 8.077 19.120 1.00 0.00 N ATOM 461 CA ALA A 31 -11.345 9.516 19.235 1.00 0.00 C ATOM 462 C ALA A 31 -10.031 9.866 18.556 1.00 0.00 C ATOM 463 O ALA A 31 -9.827 11.002 18.134 1.00 0.00 O ATOM 464 CB ALA A 31 -11.301 9.948 20.686 1.00 0.00 C ATOM 0 H ALA A 31 -11.759 7.597 20.014 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.145 10.054 18.726 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.068 11.011 20.742 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.270 9.764 21.150 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.533 9.380 21.212 1.00 0.00 H new ATOM 470 N GLN A 32 -9.141 8.892 18.463 1.00 0.00 N ATOM 471 CA GLN A 32 -7.858 9.093 17.805 1.00 0.00 C ATOM 472 C GLN A 32 -8.053 9.205 16.295 1.00 0.00 C ATOM 473 O GLN A 32 -7.178 9.684 15.573 1.00 0.00 O ATOM 474 CB GLN A 32 -6.907 7.935 18.124 1.00 0.00 C ATOM 475 CG GLN A 32 -6.615 7.760 19.607 1.00 0.00 C ATOM 476 CD GLN A 32 -5.956 8.976 20.231 1.00 0.00 C ATOM 477 OE1 GLN A 32 -5.214 9.704 19.575 1.00 0.00 O ATOM 478 NE2 GLN A 32 -6.205 9.190 21.508 1.00 0.00 N ATOM 0 H GLN A 32 -9.282 7.953 18.835 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.420 10.019 18.176 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.336 7.010 17.738 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.967 8.095 17.596 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.547 7.549 20.132 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.969 6.893 19.744 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.827 8.563 22.018 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.776 9.983 21.985 1.00 0.00 H new ATOM 487 N PHE A 33 -9.210 8.759 15.832 1.00 0.00 N ATOM 488 CA PHE A 33 -9.534 8.773 14.421 1.00 0.00 C ATOM 489 C PHE A 33 -10.489 9.920 14.090 1.00 0.00 C ATOM 490 O PHE A 33 -10.325 10.597 13.078 1.00 0.00 O ATOM 491 CB PHE A 33 -10.154 7.435 14.011 1.00 0.00 C ATOM 492 CG PHE A 33 -9.242 6.251 14.205 1.00 0.00 C ATOM 493 CD1 PHE A 33 -8.361 5.872 13.210 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.275 5.516 15.378 1.00 0.00 C ATOM 495 CE1 PHE A 33 -7.525 4.787 13.382 1.00 0.00 C ATOM 496 CE2 PHE A 33 -8.443 4.428 15.557 1.00 0.00 C ATOM 497 CZ PHE A 33 -7.566 4.062 14.556 1.00 0.00 C ATOM 0 H PHE A 33 -9.947 8.379 16.425 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.612 8.926 13.860 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.065 7.277 14.588 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.446 7.488 12.962 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.326 6.431 12.287 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.961 5.797 16.164 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.838 4.505 12.597 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.479 3.865 16.478 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.914 3.211 14.691 1.00 0.00 H new ATOM 507 N GLY A 34 -11.486 10.129 14.946 1.00 0.00 N ATOM 508 CA GLY A 34 -12.444 11.192 14.711 1.00 0.00 C ATOM 509 C GLY A 34 -13.445 11.350 15.843 1.00 0.00 C ATOM 510 O GLY A 34 -13.410 10.607 16.827 1.00 0.00 O ATOM 0 H GLY A 34 -11.646 9.584 15.793 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.909 12.132 14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.981 10.991 13.784 1.00 0.00 H new ATOM 514 N GLU A 35 -14.341 12.321 15.689 1.00 0.00 N ATOM 515 CA GLU A 35 -15.377 12.620 16.684 1.00 0.00 C ATOM 516 C GLU A 35 -16.667 11.871 16.346 1.00 0.00 C ATOM 517 O GLU A 35 -17.087 11.847 15.182 1.00 0.00 O ATOM 518 CB GLU A 35 -15.656 14.121 16.680 1.00 0.00 C ATOM 519 CG GLU A 35 -14.492 14.975 17.153 1.00 0.00 C ATOM 520 CD GLU A 35 -14.741 16.458 16.938 1.00 0.00 C ATOM 521 OE1 GLU A 35 -15.108 16.836 15.801 1.00 0.00 O ATOM 522 OE2 GLU A 35 -14.562 17.246 17.897 1.00 0.00 O ATOM 0 H GLU A 35 -14.372 12.927 14.869 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.028 12.304 17.667 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.927 14.425 15.669 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.519 14.320 17.315 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.314 14.788 18.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.588 14.680 16.621 1.00 0.00 H new ATOM 529 N ILE A 36 -17.289 11.250 17.346 1.00 0.00 N ATOM 530 CA ILE A 36 -18.537 10.530 17.121 1.00 0.00 C ATOM 531 C ILE A 36 -19.619 11.030 18.082 1.00 0.00 C ATOM 532 O ILE A 36 -19.379 11.138 19.286 1.00 0.00 O ATOM 533 CB ILE A 36 -18.376 8.986 17.286 1.00 0.00 C ATOM 534 CG1 ILE A 36 -17.034 8.529 16.712 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.505 8.275 16.547 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.790 7.045 16.844 1.00 0.00 C ATOM 0 H ILE A 36 -16.953 11.231 18.309 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.830 10.726 16.090 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.413 8.740 18.347 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.988 8.803 15.658 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.231 9.066 17.217 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.393 7.197 16.662 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.464 8.586 16.961 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.466 8.533 15.489 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.819 6.796 16.415 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.803 6.766 17.898 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.571 6.499 16.315 1.00 0.00 H new ATOM 548 N LEU A 37 -20.800 11.348 17.528 1.00 0.00 N ATOM 549 CA LEU A 37 -21.964 11.835 18.302 1.00 0.00 C ATOM 550 C LEU A 37 -21.803 13.310 18.739 1.00 0.00 C ATOM 551 O LEU A 37 -20.714 13.886 18.659 1.00 0.00 O ATOM 552 CB LEU A 37 -22.303 10.901 19.495 1.00 0.00 C ATOM 553 CG LEU A 37 -23.177 9.657 19.160 1.00 0.00 C ATOM 554 CD1 LEU A 37 -22.539 8.796 18.095 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.427 8.819 20.396 1.00 0.00 C ATOM 0 H LEU A 37 -20.980 11.276 16.527 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.821 11.806 17.629 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.369 10.556 19.937 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.818 11.488 20.256 1.00 0.00 H new ATOM 0 HG LEU A 37 -24.127 10.033 18.781 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -23.179 7.938 17.889 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.411 9.380 17.184 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.566 8.448 18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -24.040 7.957 20.133 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -22.475 8.477 20.803 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.946 9.419 21.143 1.00 0.00 H new ATOM 567 N GLU A 38 -22.903 13.898 19.208 1.00 0.00 N ATOM 568 CA GLU A 38 -22.975 15.340 19.512 1.00 0.00 C ATOM 569 C GLU A 38 -22.572 15.721 20.939 1.00 0.00 C ATOM 570 O GLU A 38 -22.642 16.898 21.290 1.00 0.00 O ATOM 571 CB GLU A 38 -24.394 15.864 19.235 1.00 0.00 C ATOM 572 CG GLU A 38 -24.677 16.173 17.772 1.00 0.00 C ATOM 573 CD GLU A 38 -24.408 15.004 16.859 1.00 0.00 C ATOM 574 OE1 GLU A 38 -25.121 13.974 16.964 1.00 0.00 O ATOM 575 OE2 GLU A 38 -23.492 15.103 16.037 1.00 0.00 O ATOM 0 H GLU A 38 -23.772 13.395 19.390 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.240 15.806 18.855 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -25.115 15.125 19.583 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.555 16.768 19.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -25.718 16.477 17.666 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.064 17.019 17.460 1.00 0.00 H new ATOM 582 N ASP A 39 -22.167 14.761 21.761 1.00 0.00 N ATOM 583 CA ASP A 39 -21.788 15.079 23.141 1.00 0.00 C ATOM 584 C ASP A 39 -20.551 15.965 23.195 1.00 0.00 C ATOM 585 O ASP A 39 -20.670 17.173 23.365 1.00 0.00 O ATOM 586 CB ASP A 39 -21.581 13.812 23.972 1.00 0.00 C ATOM 587 CG ASP A 39 -22.873 13.072 24.233 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.285 12.257 23.386 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.491 13.307 25.290 1.00 0.00 O ATOM 0 H ASP A 39 -22.092 13.776 21.509 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.617 15.636 23.577 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -20.886 13.151 23.454 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -21.119 14.077 24.923 1.00 0.00 H new ATOM 594 N LEU A 40 -19.373 15.345 23.038 1.00 0.00 N ATOM 595 CA LEU A 40 -18.067 16.047 23.036 1.00 0.00 C ATOM 596 C LEU A 40 -17.969 17.109 24.120 1.00 0.00 C ATOM 597 O LEU A 40 -18.270 18.280 23.891 1.00 0.00 O ATOM 598 CB LEU A 40 -17.816 16.705 21.698 1.00 0.00 C ATOM 599 CG LEU A 40 -17.846 15.798 20.490 1.00 0.00 C ATOM 600 CD1 LEU A 40 -17.617 16.626 19.256 1.00 0.00 C ATOM 601 CD2 LEU A 40 -16.802 14.694 20.610 1.00 0.00 C ATOM 0 H LEU A 40 -19.291 14.337 22.908 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.315 15.283 23.233 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.561 17.488 21.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -16.843 17.194 21.735 1.00 0.00 H new ATOM 0 HG LEU A 40 -18.820 15.313 20.425 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.636 15.982 18.377 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.401 17.378 19.172 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.647 17.119 19.323 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.845 14.055 19.728 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.810 15.138 20.689 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.004 14.098 21.500 1.00 0.00 H new ATOM 1035 N SER A 67 -19.441 17.909 12.194 1.00 0.00 N ATOM 1036 CA SER A 67 -19.626 18.428 10.857 1.00 0.00 C ATOM 1037 C SER A 67 -19.785 17.331 9.798 1.00 0.00 C ATOM 1038 O SER A 67 -19.433 17.512 8.630 1.00 0.00 O ATOM 1039 CB SER A 67 -18.486 19.331 10.507 1.00 0.00 C ATOM 1040 OG SER A 67 -18.216 20.248 11.558 1.00 0.00 O ATOM 0 HA SER A 67 -20.561 18.988 10.857 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.596 18.735 10.303 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.719 19.879 9.594 1.00 0.00 H new ATOM 0 HG SER A 67 -18.534 19.875 12.407 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.344 16.231 10.205 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.550 15.092 9.320 1.00 0.00 C ATOM 1048 C ARG A 68 -21.997 14.629 9.429 1.00 0.00 C ATOM 1049 O ARG A 68 -22.636 14.829 10.460 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.599 13.955 9.704 1.00 0.00 C ATOM 1051 CG ARG A 68 -18.128 14.332 9.609 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.224 13.220 10.122 1.00 0.00 C ATOM 1053 NE ARG A 68 -15.808 13.614 10.105 1.00 0.00 N ATOM 1054 CZ ARG A 68 -15.131 14.046 11.187 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -15.748 14.176 12.356 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -13.844 14.354 11.090 1.00 0.00 N ATOM 0 H ARG A 68 -20.675 16.084 11.158 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.342 15.385 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.819 13.637 10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.789 13.100 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.876 14.555 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -17.948 15.241 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -17.515 12.955 11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -17.360 12.329 9.509 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.306 13.557 9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.739 13.948 12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.231 14.503 13.172 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.364 14.264 10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.335 14.681 11.911 1.00 0.00 H new ATOM 1070 N GLU A 69 -22.512 14.040 8.366 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.883 13.544 8.358 1.00 0.00 C ATOM 1072 C GLU A 69 -23.951 12.156 9.005 1.00 0.00 C ATOM 1073 O GLU A 69 -23.095 11.297 8.761 1.00 0.00 O ATOM 1074 CB GLU A 69 -24.425 13.502 6.923 1.00 0.00 C ATOM 1075 CG GLU A 69 -23.714 12.503 6.027 1.00 0.00 C ATOM 1076 CD GLU A 69 -24.122 12.605 4.576 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -25.071 13.349 4.269 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -23.477 11.951 3.733 1.00 0.00 O ATOM 0 H GLU A 69 -22.004 13.891 7.494 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.505 14.224 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.487 13.257 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.339 14.496 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.638 12.656 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -23.919 11.494 6.385 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.946 11.953 9.845 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.108 10.691 10.550 1.00 0.00 C ATOM 1087 C HIS A 70 -26.542 10.505 11.009 1.00 0.00 C ATOM 1088 O HIS A 70 -27.335 11.450 10.998 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.152 10.613 11.754 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.338 11.705 12.762 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -23.946 13.001 12.532 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -24.884 11.694 14.000 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -24.238 13.737 13.578 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -24.806 12.976 14.484 1.00 0.00 N ATOM 0 H HIS A 70 -25.660 12.649 10.059 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.862 9.888 9.856 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.288 9.651 12.249 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.125 10.642 11.390 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -25.302 10.839 14.510 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -24.043 14.795 13.677 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -25.135 13.286 15.398 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.857 9.292 11.409 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.162 8.984 11.924 1.00 0.00 C ATOM 1104 C GLY A 71 -28.120 8.869 13.427 1.00 0.00 C ATOM 1105 O GLY A 71 -27.379 9.602 14.081 1.00 0.00 O ATOM 0 H GLY A 71 -26.215 8.499 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.868 9.761 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.520 8.050 11.491 1.00 0.00 H new ATOM 1109 N ARG A 72 -28.891 7.960 13.989 1.00 0.00 N ATOM 1110 CA ARG A 72 -28.893 7.800 15.435 1.00 0.00 C ATOM 1111 C ARG A 72 -28.205 6.516 15.825 1.00 0.00 C ATOM 1112 O ARG A 72 -27.869 6.299 16.990 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.321 7.832 15.974 1.00 0.00 C ATOM 1114 CG ARG A 72 -30.430 8.367 17.392 1.00 0.00 C ATOM 1115 CD ARG A 72 -31.874 8.459 17.844 1.00 0.00 C ATOM 1116 NE ARG A 72 -32.007 9.216 19.087 1.00 0.00 N ATOM 1117 CZ ARG A 72 -33.156 9.400 19.736 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.270 8.813 19.303 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -33.193 10.165 20.818 1.00 0.00 N ATOM 0 H ARG A 72 -29.514 7.331 13.482 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.342 8.631 15.876 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.934 8.447 15.315 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.734 6.824 15.944 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.877 7.717 18.070 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -29.968 9.353 17.446 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -32.469 8.934 17.064 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.275 7.455 17.985 1.00 0.00 H new ATOM 0 HE ARG A 72 -31.164 9.631 19.484 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.245 8.221 18.473 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.148 8.955 19.802 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.341 10.614 21.155 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -34.073 10.305 21.314 1.00 0.00 H new ATOM 1133 N THR A 73 -28.009 5.659 14.854 1.00 0.00 N ATOM 1134 CA THR A 73 -27.369 4.394 15.089 1.00 0.00 C ATOM 1135 C THR A 73 -26.181 4.173 14.138 1.00 0.00 C ATOM 1136 O THR A 73 -25.486 3.145 14.206 1.00 0.00 O ATOM 1137 CB THR A 73 -28.384 3.256 14.936 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.019 3.337 13.649 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.443 3.327 16.033 1.00 0.00 C ATOM 0 H THR A 73 -28.287 5.819 13.886 1.00 0.00 H new ATOM 0 HA THR A 73 -26.982 4.401 16.108 1.00 0.00 H new ATOM 0 HB THR A 73 -27.853 2.308 15.022 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.665 2.606 13.557 1.00 0.00 H new ATOM 0 HG21 THR A 73 -30.154 2.510 15.906 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.963 3.242 17.008 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.969 4.279 15.969 1.00 0.00 H new ATOM 1147 N TRP A 74 -25.949 5.145 13.264 1.00 0.00 N ATOM 1148 CA TRP A 74 -24.869 5.070 12.289 1.00 0.00 C ATOM 1149 C TRP A 74 -24.235 6.443 12.095 1.00 0.00 C ATOM 1150 O TRP A 74 -24.922 7.459 12.152 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.395 4.522 10.948 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.552 5.298 10.380 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.876 5.130 10.677 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.491 6.354 9.411 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.636 6.016 9.965 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.814 6.780 9.176 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.448 6.978 8.716 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.120 7.803 8.280 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.755 7.996 7.832 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.079 8.395 7.618 1.00 0.00 C ATOM 0 H TRP A 74 -26.500 6.002 13.211 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.106 4.388 12.664 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.581 4.521 10.223 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.700 3.485 11.086 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.265 4.402 11.374 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.652 6.096 10.013 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.424 6.670 8.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.140 8.117 8.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.959 8.492 7.297 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.284 9.188 6.914 1.00 0.00 H new ATOM 1171 N THR A 75 -22.935 6.469 11.872 1.00 0.00 N ATOM 1172 CA THR A 75 -22.211 7.723 11.695 1.00 0.00 C ATOM 1173 C THR A 75 -21.197 7.622 10.559 1.00 0.00 C ATOM 1174 O THR A 75 -20.464 6.631 10.456 1.00 0.00 O ATOM 1175 CB THR A 75 -21.479 8.115 13.000 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.418 8.217 14.073 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.733 9.434 12.856 1.00 0.00 C ATOM 0 H THR A 75 -22.352 5.634 11.808 1.00 0.00 H new ATOM 0 HA THR A 75 -22.943 8.490 11.443 1.00 0.00 H new ATOM 0 HB THR A 75 -20.749 7.334 13.214 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.398 7.394 14.605 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.233 9.673 13.794 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.992 9.348 12.061 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.439 10.227 12.609 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.171 8.632 9.698 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.181 8.691 8.644 1.00 0.00 C ATOM 1187 C LYS A 76 -18.943 9.392 9.174 1.00 0.00 C ATOM 1188 O LYS A 76 -19.002 10.564 9.558 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.709 9.454 7.423 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.737 9.476 6.243 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.294 10.258 5.057 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.304 11.753 5.321 1.00 0.00 C ATOM 1193 NZ LYS A 76 -20.861 12.512 4.169 1.00 0.00 N ATOM 0 H LYS A 76 -21.824 9.416 9.713 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.945 7.673 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.647 9.002 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -20.934 10.480 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.793 9.921 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.520 8.454 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.695 10.050 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.308 9.920 4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.894 11.961 6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.289 12.093 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.026 13.499 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.187 12.486 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.760 12.082 3.872 1.00 0.00 H new ATOM 1207 N LEU A 77 -17.839 8.690 9.207 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.612 9.266 9.700 1.00 0.00 C ATOM 1209 C LEU A 77 -15.648 9.530 8.567 1.00 0.00 C ATOM 1210 O LEU A 77 -15.310 8.634 7.796 1.00 0.00 O ATOM 1211 CB LEU A 77 -15.966 8.369 10.763 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.776 8.160 12.049 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.066 7.189 12.977 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.013 9.492 12.751 1.00 0.00 C ATOM 0 H LEU A 77 -17.763 7.720 8.899 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.857 10.219 10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.771 7.394 10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.999 8.796 11.031 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.742 7.733 11.781 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.656 7.054 13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.946 6.229 12.476 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.085 7.587 13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.589 9.326 13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.055 9.945 13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.565 10.159 12.089 1.00 0.00 H new ATOM 1226 N THR A 78 -15.226 10.765 8.457 1.00 0.00 N ATOM 1227 CA THR A 78 -14.269 11.153 7.460 1.00 0.00 C ATOM 1228 C THR A 78 -12.957 11.493 8.147 1.00 0.00 C ATOM 1229 O THR A 78 -12.877 12.471 8.897 1.00 0.00 O ATOM 1230 CB THR A 78 -14.765 12.381 6.681 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.081 12.128 6.172 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.827 12.708 5.523 1.00 0.00 C ATOM 0 H THR A 78 -15.539 11.528 9.058 1.00 0.00 H new ATOM 0 HA THR A 78 -14.131 10.329 6.760 1.00 0.00 H new ATOM 0 HB THR A 78 -14.787 13.233 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.397 12.913 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.200 13.581 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.830 12.919 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.779 11.858 4.842 1.00 0.00 H new ATOM 1240 N TYR A 79 -11.944 10.690 7.906 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.651 10.897 8.541 1.00 0.00 C ATOM 1242 C TYR A 79 -9.730 11.670 7.613 1.00 0.00 C ATOM 1243 O TYR A 79 -8.639 12.084 8.012 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.007 9.545 8.876 1.00 0.00 C ATOM 1245 CG TYR A 79 -10.974 8.527 9.432 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.381 8.568 10.757 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.490 7.523 8.620 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.270 7.637 11.260 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.379 6.597 9.115 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.768 6.658 10.435 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.656 5.730 10.932 1.00 0.00 O ATOM 0 H TYR A 79 -11.985 9.888 7.277 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.803 11.466 9.458 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.547 9.140 7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.207 9.704 9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.997 9.340 11.407 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.188 7.469 7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.572 7.679 12.296 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.771 5.824 8.470 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.912 5.108 10.219 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.178 11.842 6.360 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.403 12.530 5.313 1.00 0.00 C ATOM 1263 C ALA A 80 -8.100 11.781 4.997 1.00 0.00 C ATOM 1264 O ALA A 80 -7.262 12.258 4.233 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.122 13.980 5.705 1.00 0.00 C ATOM 0 H ALA A 80 -11.088 11.508 6.043 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.006 12.537 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.549 14.466 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.065 14.508 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.552 14.002 6.634 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.956 10.596 5.577 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.775 9.774 5.385 1.00 0.00 C ATOM 1273 C ASN A 81 -7.159 8.362 5.020 1.00 0.00 C ATOM 1274 O ASN A 81 -8.113 7.804 5.565 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.905 9.767 6.642 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.135 11.055 6.832 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.006 11.190 6.359 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -5.736 12.016 7.511 1.00 0.00 N ATOM 0 H ASN A 81 -8.656 10.181 6.192 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.201 10.205 4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.536 9.595 7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.203 8.935 6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.264 12.908 7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.672 11.866 7.887 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.411 7.786 4.109 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.676 6.444 3.636 1.00 0.00 C ATOM 1287 C HIS A 82 -6.000 5.402 4.515 1.00 0.00 C ATOM 1288 O HIS A 82 -6.392 4.247 4.526 1.00 0.00 O ATOM 1289 CB HIS A 82 -6.219 6.296 2.177 1.00 0.00 C ATOM 1290 CG HIS A 82 -4.736 6.428 1.972 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -4.092 7.644 1.878 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -3.774 5.490 1.864 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -2.799 7.445 1.718 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -2.579 6.146 1.707 1.00 0.00 N ATOM 0 H HIS A 82 -5.603 8.231 3.674 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.751 6.274 3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.539 5.322 1.806 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.725 7.049 1.573 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.917 4.420 1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.049 8.215 1.614 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.668 5.700 1.599 1.00 0.00 H new ATOM 1302 N SER A 83 -4.990 5.818 5.253 1.00 0.00 N ATOM 1303 CA SER A 83 -4.249 4.898 6.113 1.00 0.00 C ATOM 1304 C SER A 83 -5.157 4.300 7.197 1.00 0.00 C ATOM 1305 O SER A 83 -5.131 3.087 7.454 1.00 0.00 O ATOM 1306 CB SER A 83 -3.046 5.614 6.747 1.00 0.00 C ATOM 1307 OG SER A 83 -2.268 4.727 7.540 1.00 0.00 O ATOM 0 H SER A 83 -4.659 6.783 5.279 1.00 0.00 H new ATOM 0 HA SER A 83 -3.882 4.077 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.423 6.044 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.398 6.441 7.364 1.00 0.00 H new ATOM 0 HG SER A 83 -1.510 5.213 7.927 1.00 0.00 H new ATOM 1313 N SER A 84 -5.974 5.146 7.806 1.00 0.00 N ATOM 1314 CA SER A 84 -6.889 4.714 8.842 1.00 0.00 C ATOM 1315 C SER A 84 -8.186 4.166 8.240 1.00 0.00 C ATOM 1316 O SER A 84 -8.953 3.477 8.913 1.00 0.00 O ATOM 1317 CB SER A 84 -7.181 5.881 9.780 1.00 0.00 C ATOM 1318 OG SER A 84 -7.579 7.027 9.047 1.00 0.00 O ATOM 0 H SER A 84 -6.019 6.143 7.596 1.00 0.00 H new ATOM 0 HA SER A 84 -6.424 3.906 9.407 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.967 5.602 10.482 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.293 6.111 10.370 1.00 0.00 H new ATOM 0 HG SER A 84 -7.763 7.764 9.666 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.396 4.458 6.961 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.591 4.036 6.233 1.00 0.00 C ATOM 1326 C TYR A 85 -9.719 2.511 6.218 1.00 0.00 C ATOM 1327 O TYR A 85 -10.758 1.971 6.574 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.507 4.582 4.789 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.608 4.135 3.841 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -10.491 2.947 3.128 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -11.744 4.907 3.641 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -11.470 2.539 2.254 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -12.733 4.503 2.758 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.589 3.316 2.072 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.564 2.900 1.200 1.00 0.00 O ATOM 0 H TYR A 85 -7.740 4.997 6.396 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.475 4.433 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.513 5.671 4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.548 4.285 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.613 2.333 3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.859 5.835 4.181 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.360 1.611 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -13.611 5.114 2.608 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.429 1.953 0.985 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.643 1.830 5.833 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.654 0.368 5.746 1.00 0.00 C ATOM 1347 C LEU A 86 -8.852 -0.279 7.112 1.00 0.00 C ATOM 1348 O LEU A 86 -9.619 -1.229 7.252 1.00 0.00 O ATOM 1349 CB LEU A 86 -7.363 -0.169 5.092 1.00 0.00 C ATOM 1350 CG LEU A 86 -7.212 0.061 3.577 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -6.964 1.523 3.262 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -6.093 -0.798 3.016 1.00 0.00 C ATOM 0 H LEU A 86 -7.755 2.262 5.577 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.501 0.100 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.511 0.290 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.305 -1.241 5.282 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.149 -0.230 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.862 1.651 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.803 2.120 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.049 1.851 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.001 -0.622 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.155 -0.540 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.318 -1.850 3.193 1.00 0.00 H new ATOM 1364 N ARG A 87 -8.172 0.253 8.114 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.234 -0.302 9.466 1.00 0.00 C ATOM 1366 C ARG A 87 -9.634 -0.156 10.062 1.00 0.00 C ATOM 1367 O ARG A 87 -10.116 -1.036 10.776 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.193 0.357 10.372 1.00 0.00 C ATOM 1369 CG ARG A 87 -6.978 -0.382 11.681 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.902 0.275 12.530 1.00 0.00 C ATOM 1371 NE ARG A 87 -5.577 -0.530 13.711 1.00 0.00 N ATOM 1372 CZ ARG A 87 -6.144 -0.391 14.911 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -7.051 0.565 15.122 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -5.799 -1.204 15.901 1.00 0.00 N ATOM 0 H ARG A 87 -7.568 1.070 8.022 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.008 -1.366 9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.245 0.419 9.838 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.505 1.379 10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.914 -0.412 12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.697 -1.415 11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.004 0.421 11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.239 1.263 12.844 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.863 -1.251 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.314 1.194 14.364 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.481 0.666 16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.102 -1.932 15.744 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.230 -1.101 16.820 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.278 0.962 9.765 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.611 1.249 10.280 1.00 0.00 C ATOM 1390 C ALA A 88 -12.676 0.349 9.653 1.00 0.00 C ATOM 1391 O ALA A 88 -13.782 0.282 10.143 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.962 2.717 10.053 1.00 0.00 C ATOM 0 H ALA A 88 -9.896 1.693 9.164 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.597 1.042 11.350 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.960 2.917 10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.238 3.348 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.939 2.936 8.985 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.320 -0.344 8.577 1.00 0.00 N ATOM 1399 CA LEU A 89 -13.263 -1.187 7.848 1.00 0.00 C ATOM 1400 C LEU A 89 -13.579 -2.494 8.574 1.00 0.00 C ATOM 1401 O LEU A 89 -14.395 -3.282 8.097 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.758 -1.484 6.443 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.573 -0.274 5.530 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -12.263 -0.727 4.129 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -13.804 0.621 5.544 1.00 0.00 C ATOM 0 H LEU A 89 -11.377 -0.338 8.187 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.191 -0.618 7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.803 -2.003 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.456 -2.172 5.965 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.734 0.312 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.133 0.143 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.346 -1.317 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.085 -1.336 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.642 1.474 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.669 0.055 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.984 0.976 6.559 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.892 -2.750 9.685 1.00 0.00 N ATOM 1418 CA ARG A 90 -13.129 -3.966 10.470 1.00 0.00 C ATOM 1419 C ARG A 90 -14.616 -4.118 10.831 1.00 0.00 C ATOM 1420 O ARG A 90 -15.241 -3.191 11.352 1.00 0.00 O ATOM 1421 CB ARG A 90 -12.284 -3.966 11.752 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.537 -2.779 12.672 1.00 0.00 C ATOM 1423 CD ARG A 90 -11.821 -2.956 13.994 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.371 -3.075 13.842 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.555 -3.453 14.828 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -10.058 -3.809 16.007 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -8.246 -3.511 14.624 1.00 0.00 N ATOM 0 H ARG A 90 -12.170 -2.137 10.063 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.833 -4.813 9.850 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.481 -4.886 12.303 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.229 -3.979 11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.198 -1.862 12.190 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.608 -2.670 12.846 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.046 -2.107 14.640 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.204 -3.846 14.493 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.962 -2.857 12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.067 -3.793 16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.435 -4.098 16.761 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.861 -3.266 13.712 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.624 -3.800 15.379 1.00 0.00 H new ATOM 1441 N GLU A 91 -15.175 -5.285 10.534 1.00 0.00 N ATOM 1442 CA GLU A 91 -16.573 -5.559 10.835 1.00 0.00 C ATOM 1443 C GLU A 91 -16.783 -7.031 11.200 1.00 0.00 C ATOM 1444 O GLU A 91 -17.920 -7.513 11.256 1.00 0.00 O ATOM 1445 CB GLU A 91 -17.461 -5.184 9.640 1.00 0.00 C ATOM 1446 CG GLU A 91 -17.198 -6.004 8.382 1.00 0.00 C ATOM 1447 CD GLU A 91 -18.159 -5.675 7.265 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -19.368 -5.938 7.423 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.718 -5.169 6.219 1.00 0.00 O ATOM 0 H GLU A 91 -14.681 -6.056 10.085 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.854 -4.950 11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.506 -5.305 9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.313 -4.129 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.177 -5.826 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.274 -7.065 8.621 1.00 0.00 H new ATOM 1456 N HIS A 92 -15.690 -7.741 11.449 1.00 0.00 N ATOM 1457 CA HIS A 92 -15.776 -9.160 11.764 1.00 0.00 C ATOM 1458 C HIS A 92 -15.408 -9.437 13.218 1.00 0.00 C ATOM 1459 O HIS A 92 -16.267 -9.763 14.034 1.00 0.00 O ATOM 1460 CB HIS A 92 -14.877 -9.973 10.820 1.00 0.00 C ATOM 1461 CG HIS A 92 -15.043 -11.460 10.945 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -15.998 -12.173 10.249 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -14.374 -12.369 11.690 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -15.910 -13.450 10.566 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -14.934 -13.596 11.439 1.00 0.00 N ATOM 0 H HIS A 92 -14.743 -7.362 11.439 1.00 0.00 H new ATOM 0 HA HIS A 92 -16.812 -9.468 11.621 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.089 -9.680 9.792 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.836 -9.717 11.017 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.551 -12.166 12.359 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.532 -14.242 10.176 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.642 -14.478 11.860 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.139 -9.286 13.542 1.00 0.00 N ATOM 1474 CA GLY A 93 -13.676 -9.600 14.873 1.00 0.00 C ATOM 1475 C GLY A 93 -13.564 -8.390 15.758 1.00 0.00 C ATOM 1476 O GLY A 93 -12.486 -8.082 16.267 1.00 0.00 O ATOM 0 H GLY A 93 -13.417 -8.950 12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.360 -10.315 15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.703 -10.087 14.808 1.00 0.00 H new ATOM 1480 N THR A 94 -14.661 -7.685 15.924 1.00 0.00 N ATOM 1481 CA THR A 94 -14.698 -6.534 16.800 1.00 0.00 C ATOM 1482 C THR A 94 -16.093 -6.357 17.384 1.00 0.00 C ATOM 1483 O THR A 94 -17.019 -5.903 16.704 1.00 0.00 O ATOM 1484 CB THR A 94 -14.252 -5.242 16.071 1.00 0.00 C ATOM 1485 OG1 THR A 94 -12.924 -5.418 15.556 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.259 -4.053 17.022 1.00 0.00 C ATOM 0 H THR A 94 -15.546 -7.890 15.460 1.00 0.00 H new ATOM 0 HA THR A 94 -13.992 -6.715 17.611 1.00 0.00 H new ATOM 0 HB THR A 94 -14.951 -5.048 15.258 1.00 0.00 H new ATOM 0 HG1 THR A 94 -12.567 -6.279 15.859 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.942 -3.158 16.487 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.266 -3.905 17.413 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.574 -4.244 17.848 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.243 -6.744 18.634 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.500 -6.623 19.330 1.00 0.00 C ATOM 1496 C ILE A 95 -17.381 -5.629 20.470 1.00 0.00 C ATOM 1497 O ILE A 95 -16.520 -5.765 21.337 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.984 -7.999 19.867 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.349 -8.924 18.700 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.164 -7.841 20.817 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.635 -10.351 19.119 1.00 0.00 C ATOM 0 H ILE A 95 -15.494 -7.151 19.194 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.241 -6.259 18.618 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.166 -8.449 20.430 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.225 -8.522 18.190 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.532 -8.924 17.979 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.478 -8.822 21.174 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.868 -7.224 21.665 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.992 -7.364 20.293 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.886 -10.945 18.240 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.753 -10.772 19.602 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.472 -10.364 19.817 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.236 -4.629 20.457 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.236 -3.626 21.486 1.00 0.00 C ATOM 1515 C TYR A 96 -19.602 -3.604 22.160 1.00 0.00 C ATOM 1516 O TYR A 96 -20.629 -3.537 21.482 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.926 -2.243 20.894 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.449 -1.253 21.929 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -18.334 -0.653 22.811 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -16.101 -0.967 22.055 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -17.888 0.220 23.782 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -15.640 -0.102 23.033 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.539 0.488 23.895 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.092 1.339 24.883 1.00 0.00 O ATOM 0 H TYR A 96 -18.944 -4.494 19.735 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.465 -3.867 22.218 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.165 -2.347 20.121 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.821 -1.852 20.410 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.389 -0.872 22.737 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.396 -1.427 21.378 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -18.592 0.692 24.451 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.584 0.109 23.120 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.380 1.910 24.525 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.609 -3.694 23.487 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.850 -3.659 24.276 1.00 0.00 C ATOM 1536 C CYS A 97 -21.761 -4.857 23.936 1.00 0.00 C ATOM 1537 O CYS A 97 -22.967 -4.822 24.167 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.584 -2.316 24.041 1.00 0.00 C ATOM 1539 SG CYS A 97 -23.027 -2.038 25.100 1.00 0.00 S ATOM 0 H CYS A 97 -18.763 -3.793 24.049 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.593 -3.737 25.332 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -20.877 -1.501 24.194 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.902 -2.270 22.999 1.00 0.00 H new ATOM 0 HG CYS A 97 -23.650 -3.163 25.289 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.168 -5.925 23.420 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.946 -7.097 23.060 1.00 0.00 C ATOM 1547 C GLY A 98 -22.524 -7.015 21.659 1.00 0.00 C ATOM 1548 O GLY A 98 -23.371 -7.823 21.283 1.00 0.00 O ATOM 0 H GLY A 98 -20.166 -6.002 23.244 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.315 -7.983 23.136 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.758 -7.222 23.776 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.075 -6.038 20.893 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.520 -5.876 19.521 1.00 0.00 C ATOM 1554 C ALA A 99 -21.327 -5.718 18.601 1.00 0.00 C ATOM 1555 O ALA A 99 -20.367 -5.035 18.942 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.425 -4.671 19.405 1.00 0.00 C ATOM 0 H ALA A 99 -21.398 -5.340 21.200 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.078 -6.765 19.227 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.752 -4.560 18.371 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.294 -4.806 20.048 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -22.882 -3.777 19.712 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.374 -6.357 17.450 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.289 -6.248 16.495 1.00 0.00 C ATOM 1564 C ALA A 100 -20.309 -4.886 15.828 1.00 0.00 C ATOM 1565 O ALA A 100 -21.377 -4.380 15.466 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.367 -7.359 15.456 1.00 0.00 C ATOM 0 H ALA A 100 -22.146 -6.954 17.154 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.347 -6.356 17.032 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.542 -7.256 14.751 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.301 -8.327 15.953 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.314 -7.290 14.920 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.142 -4.292 15.672 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.042 -2.996 15.028 1.00 0.00 C ATOM 1574 C ILE A 101 -18.922 -3.201 13.531 1.00 0.00 C ATOM 1575 O ILE A 101 -18.057 -3.940 13.069 1.00 0.00 O ATOM 1576 CB ILE A 101 -17.810 -2.189 15.521 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.835 -1.996 17.033 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -17.736 -0.833 14.843 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.668 -1.164 17.543 1.00 0.00 C ATOM 0 H ILE A 101 -18.252 -4.684 15.981 1.00 0.00 H new ATOM 0 HA ILE A 101 -19.938 -2.428 15.280 1.00 0.00 H new ATOM 0 HB ILE A 101 -16.926 -2.770 15.257 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -18.770 -1.514 17.317 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.819 -2.972 17.519 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -16.864 -0.291 15.208 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -17.654 -0.969 13.765 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -18.638 -0.264 15.069 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.740 -1.061 18.626 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -15.730 -1.657 17.287 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.696 -0.177 17.082 1.00 0.00 H new ATOM 1591 N GLY A 102 -19.788 -2.565 12.787 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.766 -2.712 11.358 1.00 0.00 C ATOM 1593 C GLY A 102 -19.427 -1.421 10.666 1.00 0.00 C ATOM 1594 O GLY A 102 -20.117 -0.416 10.843 1.00 0.00 O ATOM 0 H GLY A 102 -20.513 -1.944 13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.037 -3.474 11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.739 -3.063 11.014 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.362 -1.434 9.897 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.945 -0.267 9.165 1.00 0.00 C ATOM 1600 C CYS A 103 -17.635 -0.621 7.727 1.00 0.00 C ATOM 1601 O CYS A 103 -16.880 -1.561 7.451 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.736 0.374 9.825 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.165 1.890 9.023 1.00 0.00 S ATOM 0 H CYS A 103 -17.765 -2.251 9.764 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.765 0.451 9.174 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.979 0.596 10.864 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.918 -0.347 9.836 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.868 1.951 9.083 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.229 0.117 6.814 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.041 -0.108 5.395 1.00 0.00 C ATOM 1611 C VAL A 104 -17.862 1.229 4.684 1.00 0.00 C ATOM 1612 O VAL A 104 -18.140 2.281 5.269 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.260 -0.857 4.774 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.441 -2.230 5.404 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.531 -0.032 4.917 1.00 0.00 C ATOM 0 H VAL A 104 -18.856 0.891 7.034 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.152 -0.726 5.266 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.058 -0.997 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.298 -2.728 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.545 -2.828 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.610 -2.119 6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.368 -0.574 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.731 0.149 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.406 0.921 4.403 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.385 1.219 3.426 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.242 2.441 2.639 1.00 0.00 C ATOM 1627 C PRO A 105 -18.592 3.109 2.429 1.00 0.00 C ATOM 1628 O PRO A 105 -19.629 2.433 2.386 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.670 1.957 1.297 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.114 0.602 1.575 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.948 0.027 2.678 1.00 0.00 C ATOM 0 HA PRO A 105 -16.606 3.179 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.444 1.915 0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.897 2.633 0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.158 -0.027 0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.067 0.664 1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.796 -0.538 2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.372 -0.653 3.305 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.587 4.427 2.333 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.816 5.181 2.148 1.00 0.00 C ATOM 1641 C TYR A 106 -20.473 4.834 0.817 1.00 0.00 C ATOM 1642 O TYR A 106 -20.104 5.367 -0.236 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.537 6.686 2.225 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.773 7.557 2.124 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.570 7.793 3.232 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.133 8.159 0.922 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.685 8.600 3.153 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.253 8.960 0.832 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.024 9.180 1.952 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.131 9.998 1.875 1.00 0.00 O ATOM 0 H TYR A 106 -17.744 4.999 2.380 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.503 4.909 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.031 6.902 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.850 6.957 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.313 7.336 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.525 7.996 0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.290 8.776 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.523 9.412 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.021 10.756 2.486 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.420 3.916 0.865 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.158 3.536 -0.307 1.00 0.00 C ATOM 1662 C LYS A 107 -23.465 4.280 -0.344 1.00 0.00 C ATOM 1663 O LYS A 107 -24.131 4.428 0.682 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.402 2.029 -0.341 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.130 1.214 -0.494 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.421 -0.276 -0.511 1.00 0.00 C ATOM 1667 CE LYS A 107 -22.191 -0.681 -1.762 1.00 0.00 C ATOM 1668 NZ LYS A 107 -22.372 -2.150 -1.865 1.00 0.00 N ATOM 0 H LYS A 107 -21.692 3.421 1.714 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.569 3.796 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.908 1.730 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.075 1.796 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.624 1.497 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.449 1.443 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -20.484 -0.831 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -21.996 -0.545 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -23.168 -0.197 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -21.661 -0.320 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -22.901 -2.375 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.441 -2.613 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -22.901 -2.493 -1.038 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.836 4.746 -1.513 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.053 5.527 -1.665 1.00 0.00 C ATOM 1684 C HIS A 108 -26.299 4.683 -1.411 1.00 0.00 C ATOM 1685 O HIS A 108 -27.261 5.149 -0.801 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.101 6.193 -3.036 1.00 0.00 C ATOM 1687 CG HIS A 108 -24.048 7.244 -3.215 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -24.142 8.510 -2.674 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -22.860 7.204 -3.852 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -23.059 9.199 -2.980 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -22.267 8.430 -3.691 1.00 0.00 N ATOM 0 H HIS A 108 -23.315 4.601 -2.378 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.040 6.313 -0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.982 5.432 -3.807 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -26.083 6.643 -3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -22.451 6.362 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -22.858 10.221 -2.694 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -21.357 8.701 -4.064 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.270 3.435 -1.865 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.388 2.520 -1.667 1.00 0.00 C ATOM 1701 C GLU A 109 -27.539 2.163 -0.185 1.00 0.00 C ATOM 1702 O GLU A 109 -28.641 1.884 0.291 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.210 1.263 -2.509 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.387 0.312 -2.456 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.188 -0.885 -3.340 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.489 -1.831 -2.920 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.722 -0.887 -4.468 1.00 0.00 O ATOM 0 H GLU A 109 -25.483 3.033 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.300 3.021 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.038 1.554 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.316 0.737 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.539 -0.018 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.292 0.839 -2.759 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.423 2.199 0.539 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.416 1.915 1.971 1.00 0.00 C ATOM 1716 C LEU A 110 -27.284 2.929 2.701 1.00 0.00 C ATOM 1717 O LEU A 110 -27.972 2.595 3.665 1.00 0.00 O ATOM 1718 CB LEU A 110 -24.993 1.954 2.529 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.863 1.703 4.036 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.226 0.264 4.385 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.460 2.040 4.513 1.00 0.00 C ATOM 0 H LEU A 110 -25.506 2.424 0.154 1.00 0.00 H new ATOM 0 HA LEU A 110 -26.817 0.913 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.395 1.210 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.560 2.929 2.303 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.566 2.357 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.125 0.114 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.255 0.066 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.558 -0.418 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.386 1.856 5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.737 1.416 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.249 3.090 4.310 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.248 4.162 2.225 1.00 0.00 N ATOM 1734 CA ILE A 111 -28.053 5.229 2.791 1.00 0.00 C ATOM 1735 C ILE A 111 -29.531 4.882 2.653 1.00 0.00 C ATOM 1736 O ILE A 111 -30.310 5.073 3.581 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.762 6.584 2.099 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -26.259 6.898 2.157 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.576 7.710 2.730 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.701 6.992 3.567 1.00 0.00 C ATOM 0 H ILE A 111 -26.664 4.450 1.440 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.795 5.329 3.845 1.00 0.00 H new ATOM 0 HB ILE A 111 -28.061 6.505 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.716 6.125 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -26.075 7.840 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -28.351 8.649 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.639 7.490 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -28.320 7.796 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.635 7.216 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -26.216 7.785 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.851 6.043 4.082 1.00 0.00 H new ATOM 1752 N SER A 112 -29.904 4.364 1.490 1.00 0.00 N ATOM 1753 CA SER A 112 -31.272 3.938 1.239 1.00 0.00 C ATOM 1754 C SER A 112 -31.677 2.835 2.226 1.00 0.00 C ATOM 1755 O SER A 112 -32.792 2.832 2.749 1.00 0.00 O ATOM 1756 CB SER A 112 -31.408 3.439 -0.200 1.00 0.00 C ATOM 1757 OG SER A 112 -30.900 4.394 -1.118 1.00 0.00 O ATOM 0 H SER A 112 -29.272 4.229 0.701 1.00 0.00 H new ATOM 0 HA SER A 112 -31.937 4.790 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.871 2.497 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.456 3.238 -0.422 1.00 0.00 H new ATOM 0 HG SER A 112 -30.996 4.053 -2.032 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.754 1.911 2.479 1.00 0.00 N ATOM 1764 CA GLU A 113 -30.985 0.817 3.418 1.00 0.00 C ATOM 1765 C GLU A 113 -31.227 1.366 4.824 1.00 0.00 C ATOM 1766 O GLU A 113 -32.211 1.018 5.489 1.00 0.00 O ATOM 1767 CB GLU A 113 -29.757 -0.097 3.461 1.00 0.00 C ATOM 1768 CG GLU A 113 -29.442 -0.802 2.158 1.00 0.00 C ATOM 1769 CD GLU A 113 -28.188 -1.645 2.266 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -28.160 -2.574 3.111 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -27.233 -1.405 1.505 1.00 0.00 O ATOM 0 H GLU A 113 -29.832 1.899 2.043 1.00 0.00 H new ATOM 0 HA GLU A 113 -31.860 0.259 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -28.891 0.496 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -29.908 -0.848 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.283 -1.435 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.317 -0.064 1.366 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.322 2.232 5.253 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.367 2.823 6.578 1.00 0.00 C ATOM 1780 C LEU A 114 -31.603 3.699 6.776 1.00 0.00 C ATOM 1781 O LEU A 114 -32.242 3.649 7.824 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.104 3.625 6.822 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.819 2.800 6.877 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.625 3.699 7.031 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -27.875 1.783 8.010 1.00 0.00 C ATOM 0 H LEU A 114 -29.533 2.545 4.688 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.431 2.012 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.006 4.371 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.211 4.167 7.762 1.00 0.00 H new ATOM 0 HG LEU A 114 -27.723 2.255 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.718 3.096 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.572 4.382 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.718 4.272 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -26.949 1.208 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -27.999 2.303 8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -28.717 1.109 7.853 1.00 0.00 H new ATOM 1797 N SER A 115 -31.939 4.490 5.763 1.00 0.00 N ATOM 1798 CA SER A 115 -33.079 5.383 5.845 1.00 0.00 C ATOM 1799 C SER A 115 -34.402 4.616 5.919 1.00 0.00 C ATOM 1800 O SER A 115 -35.342 5.044 6.596 1.00 0.00 O ATOM 1801 CB SER A 115 -33.075 6.359 4.673 1.00 0.00 C ATOM 1802 OG SER A 115 -32.966 5.673 3.442 1.00 0.00 O ATOM 0 H SER A 115 -31.435 4.528 4.877 1.00 0.00 H new ATOM 0 HA SER A 115 -32.989 5.951 6.771 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.991 6.950 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.244 7.057 4.779 1.00 0.00 H new ATOM 0 HG SER A 115 -32.045 5.359 3.323 1.00 0.00 H new