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= 1.1 K(o=1.1,f=-3.9) USER MOD Set 1.2: A 97 CYS SG : rot -49:sc= 0.0226 USER MOD Set 2.1: A 81 ASN : amide:sc= -1.08! C(o=0.14!,f=-3.6!) USER MOD Set 2.2: A 84 SER OG : rot 121:sc= 1.22 USER MOD Set 3.1: A 18 TYR OH : rot -140:sc= -0.211 USER MOD Set 3.2: A 75 THR OG1 : rot 102:sc= 0.842 USER MOD Single : A 11 ASN : amide:sc= -0.928 K(o=-0.93,f=-2.1!) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.602 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc=-0.00236 (180deg=-0.0377) USER MOD Single : A 29 TYR OH : rot 120:sc=-0.00307 USER MOD Single : A 32 GLN : amide:sc= -0.0902 X(o=-0.09,f=-0.5) USER MOD Single : A 67 SER OG : rot 41:sc= 0.123 USER MOD Single : A 70 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 79 TYR OH : rot 166:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 92 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0755 USER MOD Single : A 103 CYS SG : rot 176:sc= -3.82! USER MOD Single : A 106 TYR OH : rot 180:sc= 0.00123 USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.025) USER MOD Single : A 108 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-0.86) USER MOD Single : A 112 SER OG : rot 15:sc= 0.662 USER MOD Single : A 115 SER OG : rot 85:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.101 8.647 1.302 1.00 0.00 N ATOM 131 CA ASN A 11 -11.677 7.828 2.427 1.00 0.00 C ATOM 132 C ASN A 11 -12.786 7.740 3.462 1.00 0.00 C ATOM 133 O ASN A 11 -12.542 7.428 4.629 1.00 0.00 O ATOM 134 CB ASN A 11 -10.413 8.417 3.055 1.00 0.00 C ATOM 135 CG ASN A 11 -9.228 8.413 2.105 1.00 0.00 C ATOM 136 OD1 ASN A 11 -8.410 9.324 2.116 1.00 0.00 O ATOM 137 ND2 ASN A 11 -9.119 7.382 1.292 1.00 0.00 N ATOM 0 HA ASN A 11 -11.457 6.823 2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.614 9.440 3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.158 7.848 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.334 7.325 0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.820 6.641 1.311 1.00 0.00 H new ATOM 144 N ALA A 12 -13.997 8.027 3.032 1.00 0.00 N ATOM 145 CA ALA A 12 -15.150 8.005 3.913 1.00 0.00 C ATOM 146 C ALA A 12 -15.687 6.591 4.107 1.00 0.00 C ATOM 147 O ALA A 12 -15.742 5.793 3.164 1.00 0.00 O ATOM 148 CB ALA A 12 -16.242 8.910 3.370 1.00 0.00 C ATOM 0 H ALA A 12 -14.211 8.281 2.068 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.828 8.373 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.102 8.885 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.867 9.931 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.542 8.565 2.381 1.00 0.00 H new ATOM 154 N VAL A 13 -16.080 6.295 5.332 1.00 0.00 N ATOM 155 CA VAL A 13 -16.656 5.006 5.684 1.00 0.00 C ATOM 156 C VAL A 13 -17.906 5.209 6.529 1.00 0.00 C ATOM 157 O VAL A 13 -18.144 6.307 7.041 1.00 0.00 O ATOM 158 CB VAL A 13 -15.661 4.123 6.473 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.461 3.752 5.619 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.216 4.831 7.742 1.00 0.00 C ATOM 0 H VAL A 13 -16.009 6.944 6.116 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.903 4.498 4.752 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.172 3.201 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.779 3.131 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.796 3.199 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.946 4.659 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.516 4.197 8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.728 5.770 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.084 5.034 8.369 1.00 0.00 H new ATOM 170 N VAL A 14 -18.710 4.172 6.662 1.00 0.00 N ATOM 171 CA VAL A 14 -19.920 4.250 7.469 1.00 0.00 C ATOM 172 C VAL A 14 -19.841 3.256 8.620 1.00 0.00 C ATOM 173 O VAL A 14 -19.553 2.077 8.410 1.00 0.00 O ATOM 174 CB VAL A 14 -21.188 3.953 6.626 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.448 4.077 7.478 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.259 4.876 5.421 1.00 0.00 C ATOM 0 H VAL A 14 -18.551 3.265 6.224 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.994 5.266 7.856 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.124 2.926 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.324 3.864 6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.401 3.366 8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.520 5.089 7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.155 4.651 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.295 5.912 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.378 4.728 4.797 1.00 0.00 H new ATOM 186 N VAL A 15 -20.077 3.737 9.829 1.00 0.00 N ATOM 187 CA VAL A 15 -20.037 2.892 11.017 1.00 0.00 C ATOM 188 C VAL A 15 -21.453 2.701 11.546 1.00 0.00 C ATOM 189 O VAL A 15 -22.227 3.658 11.608 1.00 0.00 O ATOM 190 CB VAL A 15 -19.166 3.518 12.135 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.873 2.496 13.225 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.877 4.086 11.565 1.00 0.00 C ATOM 0 H VAL A 15 -20.300 4.714 10.017 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.597 1.936 10.734 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.726 4.340 12.581 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.260 2.956 14.000 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.810 2.150 13.661 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.338 1.649 12.795 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.283 4.520 12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.310 3.289 11.084 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.112 4.857 10.832 1.00 0.00 H new ATOM 202 N PHE A 16 -21.801 1.471 11.896 1.00 0.00 N ATOM 203 CA PHE A 16 -23.147 1.177 12.373 1.00 0.00 C ATOM 204 C PHE A 16 -23.144 0.084 13.444 1.00 0.00 C ATOM 205 O PHE A 16 -22.201 -0.710 13.538 1.00 0.00 O ATOM 206 CB PHE A 16 -24.047 0.770 11.192 1.00 0.00 C ATOM 207 CG PHE A 16 -23.561 -0.447 10.436 1.00 0.00 C ATOM 208 CD1 PHE A 16 -22.667 -0.314 9.382 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.997 -1.721 10.782 1.00 0.00 C ATOM 210 CE1 PHE A 16 -22.215 -1.425 8.692 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.547 -2.832 10.093 1.00 0.00 C ATOM 212 CZ PHE A 16 -22.656 -2.684 9.048 1.00 0.00 C ATOM 0 H PHE A 16 -21.176 0.665 11.860 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.544 2.082 12.832 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.052 0.575 11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.121 1.609 10.500 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -22.320 0.668 9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.694 -1.844 11.597 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.518 -1.307 7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -23.892 -3.816 10.372 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.305 -3.552 8.510 1.00 0.00 H new ATOM 222 N GLY A 17 -24.204 0.058 14.256 1.00 0.00 N ATOM 223 CA GLY A 17 -24.342 -0.970 15.281 1.00 0.00 C ATOM 224 C GLY A 17 -24.177 -0.444 16.702 1.00 0.00 C ATOM 225 O GLY A 17 -23.647 -1.136 17.561 1.00 0.00 O ATOM 0 H GLY A 17 -24.970 0.731 14.222 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.323 -1.435 15.187 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.601 -1.750 15.103 1.00 0.00 H new ATOM 229 N TYR A 18 -24.641 0.773 16.948 1.00 0.00 N ATOM 230 CA TYR A 18 -24.530 1.386 18.270 1.00 0.00 C ATOM 231 C TYR A 18 -25.661 2.384 18.518 1.00 0.00 C ATOM 232 O TYR A 18 -26.390 2.752 17.592 1.00 0.00 O ATOM 233 CB TYR A 18 -23.168 2.059 18.438 1.00 0.00 C ATOM 234 CG TYR A 18 -22.808 2.990 17.310 1.00 0.00 C ATOM 235 CD1 TYR A 18 -23.176 4.333 17.331 1.00 0.00 C ATOM 236 CD2 TYR A 18 -22.106 2.520 16.210 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.851 5.168 16.289 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.781 3.352 15.172 1.00 0.00 C ATOM 239 CZ TYR A 18 -22.153 4.669 15.213 1.00 0.00 C ATOM 240 OH TYR A 18 -21.828 5.491 14.172 1.00 0.00 O ATOM 0 H TYR A 18 -25.099 1.359 16.250 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.618 0.594 19.014 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -23.162 2.618 19.374 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.400 1.290 18.521 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.723 4.723 18.176 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.811 1.482 16.171 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -23.141 6.208 16.314 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -21.233 2.970 14.323 1.00 0.00 H new ATOM 0 HH TYR A 18 -21.938 5.007 13.327 1.00 0.00 H new ATOM 250 N ARG A 19 -25.800 2.815 19.775 1.00 0.00 N ATOM 251 CA ARG A 19 -26.867 3.742 20.167 1.00 0.00 C ATOM 252 C ARG A 19 -26.320 4.867 21.040 1.00 0.00 C ATOM 253 O ARG A 19 -25.181 4.793 21.523 1.00 0.00 O ATOM 254 CB ARG A 19 -27.962 3.003 20.940 1.00 0.00 C ATOM 255 CG ARG A 19 -27.519 2.467 22.298 1.00 0.00 C ATOM 256 CD ARG A 19 -28.658 1.742 22.991 1.00 0.00 C ATOM 257 NE ARG A 19 -28.245 1.144 24.266 1.00 0.00 N ATOM 258 CZ ARG A 19 -28.943 1.231 25.408 1.00 0.00 C ATOM 259 NH1 ARG A 19 -30.020 2.012 25.478 1.00 0.00 N ATOM 260 NH2 ARG A 19 -28.547 0.553 26.482 1.00 0.00 N ATOM 0 H ARG A 19 -25.186 2.536 20.540 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.285 4.167 19.254 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.806 3.678 21.086 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -28.320 2.171 20.334 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -26.676 1.788 22.168 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -27.173 3.290 22.923 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.476 2.441 23.168 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.042 0.962 22.334 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.366 0.626 24.285 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.316 2.546 24.661 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -30.548 2.076 26.348 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.713 -0.033 26.437 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -29.077 0.619 27.351 1.00 0.00 H new ATOM 274 N GLU A 20 -27.132 5.902 21.251 1.00 0.00 N ATOM 275 CA GLU A 20 -26.748 7.014 22.103 1.00 0.00 C ATOM 276 C GLU A 20 -26.759 6.570 23.555 1.00 0.00 C ATOM 277 O GLU A 20 -27.804 6.580 24.210 1.00 0.00 O ATOM 278 CB GLU A 20 -27.699 8.198 21.925 1.00 0.00 C ATOM 279 CG GLU A 20 -27.240 9.466 22.639 1.00 0.00 C ATOM 280 CD GLU A 20 -28.360 10.156 23.389 1.00 0.00 C ATOM 281 OE1 GLU A 20 -29.235 10.766 22.739 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.376 10.079 24.640 1.00 0.00 O ATOM 0 H GLU A 20 -28.061 5.989 20.840 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.745 7.332 21.819 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.807 8.409 20.861 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.685 7.919 22.296 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -26.442 9.215 23.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.819 10.157 21.908 1.00 0.00 H new ATOM 289 N ALA A 21 -25.606 6.143 24.026 1.00 0.00 N ATOM 290 CA ALA A 21 -25.422 5.676 25.406 1.00 0.00 C ATOM 291 C ALA A 21 -23.995 5.234 25.601 1.00 0.00 C ATOM 292 O ALA A 21 -23.414 5.383 26.668 1.00 0.00 O ATOM 293 CB ALA A 21 -26.364 4.512 25.725 1.00 0.00 C ATOM 0 H ALA A 21 -24.755 6.106 23.465 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.654 6.500 26.081 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.205 4.187 26.753 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.397 4.836 25.602 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.161 3.683 25.047 1.00 0.00 H new ATOM 299 N ILE A 22 -23.441 4.699 24.542 1.00 0.00 N ATOM 300 CA ILE A 22 -22.098 4.167 24.544 1.00 0.00 C ATOM 301 C ILE A 22 -21.099 5.162 23.949 1.00 0.00 C ATOM 302 O ILE A 22 -19.964 4.790 23.621 1.00 0.00 O ATOM 303 CB ILE A 22 -22.065 2.829 23.743 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.575 3.025 22.292 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.916 1.777 24.452 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.537 3.534 21.321 1.00 0.00 C ATOM 0 H ILE A 22 -23.915 4.619 23.642 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.805 3.983 25.578 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.030 2.492 23.695 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.960 2.074 21.925 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.412 3.723 22.307 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.888 0.845 23.887 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.522 1.606 25.454 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.945 2.128 24.522 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.984 3.640 20.333 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -21.168 4.503 21.658 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.709 2.827 21.270 1.00 0.00 H new ATOM 318 N THR A 23 -21.505 6.430 23.857 1.00 0.00 N ATOM 319 CA THR A 23 -20.693 7.437 23.182 1.00 0.00 C ATOM 320 C THR A 23 -19.329 7.576 23.806 1.00 0.00 C ATOM 321 O THR A 23 -18.332 7.527 23.112 1.00 0.00 O ATOM 322 CB THR A 23 -21.358 8.818 23.205 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.723 8.719 22.771 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.590 9.784 22.304 1.00 0.00 C ATOM 0 H THR A 23 -22.384 6.779 24.239 1.00 0.00 H new ATOM 0 HA THR A 23 -20.595 7.088 22.154 1.00 0.00 H new ATOM 0 HB THR A 23 -21.342 9.198 24.226 1.00 0.00 H new ATOM 0 HG1 THR A 23 -23.040 9.601 22.486 1.00 0.00 H new ATOM 0 HG21 THR A 23 -21.070 10.762 22.327 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.564 9.875 22.659 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.588 9.405 21.282 1.00 0.00 H new ATOM 332 N LYS A 24 -19.283 7.696 25.115 1.00 0.00 N ATOM 333 CA LYS A 24 -18.023 7.908 25.799 1.00 0.00 C ATOM 334 C LYS A 24 -17.061 6.743 25.570 1.00 0.00 C ATOM 335 O LYS A 24 -15.860 6.944 25.424 1.00 0.00 O ATOM 336 CB LYS A 24 -18.235 8.150 27.295 1.00 0.00 C ATOM 337 CG LYS A 24 -19.097 9.375 27.621 1.00 0.00 C ATOM 338 CD LYS A 24 -18.578 10.660 26.958 1.00 0.00 C ATOM 339 CE LYS A 24 -17.132 10.961 27.330 1.00 0.00 C ATOM 340 NZ LYS A 24 -16.922 11.062 28.803 1.00 0.00 N ATOM 0 H LYS A 24 -20.099 7.651 25.726 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.571 8.804 25.374 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.701 7.266 27.731 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.263 8.267 27.773 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.121 9.191 27.295 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.127 9.515 28.701 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.660 10.566 25.875 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.209 11.499 27.253 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.488 10.178 26.929 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.828 11.896 26.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.946 11.367 28.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.586 11.756 29.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.086 10.133 29.242 1.00 0.00 H new ATOM 354 N GLN A 25 -17.599 5.528 25.527 1.00 0.00 N ATOM 355 CA GLN A 25 -16.777 4.344 25.322 1.00 0.00 C ATOM 356 C GLN A 25 -16.148 4.345 23.921 1.00 0.00 C ATOM 357 O GLN A 25 -14.927 4.261 23.785 1.00 0.00 O ATOM 358 CB GLN A 25 -17.603 3.078 25.530 1.00 0.00 C ATOM 359 CG GLN A 25 -18.177 2.953 26.932 1.00 0.00 C ATOM 360 CD GLN A 25 -18.956 1.667 27.140 1.00 0.00 C ATOM 361 OE1 GLN A 25 -18.608 0.618 26.597 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.022 1.744 27.913 1.00 0.00 N ATOM 0 H GLN A 25 -18.596 5.340 25.631 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.972 4.362 26.056 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.420 3.064 24.809 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.979 2.208 25.322 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.365 3.001 27.657 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.830 3.803 27.129 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.276 2.633 28.344 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.592 0.915 28.079 1.00 0.00 H new ATOM 371 N ILE A 26 -16.984 4.479 22.886 1.00 0.00 N ATOM 372 CA ILE A 26 -16.489 4.513 21.504 1.00 0.00 C ATOM 373 C ILE A 26 -15.616 5.743 21.256 1.00 0.00 C ATOM 374 O ILE A 26 -14.583 5.655 20.591 1.00 0.00 O ATOM 375 CB ILE A 26 -17.630 4.395 20.442 1.00 0.00 C ATOM 376 CG1 ILE A 26 -18.052 2.922 20.307 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.215 4.971 19.089 1.00 0.00 C ATOM 378 CD1 ILE A 26 -19.047 2.661 19.192 1.00 0.00 C ATOM 0 H ILE A 26 -17.996 4.565 22.976 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.867 3.627 21.379 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.480 4.985 20.785 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.163 2.315 20.135 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -18.486 2.592 21.251 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.038 4.868 18.382 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -16.965 6.026 19.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.345 4.431 18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -19.292 1.599 19.164 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -19.954 3.238 19.371 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.611 2.957 18.238 1.00 0.00 H new ATOM 390 N LEU A 27 -16.028 6.871 21.814 1.00 0.00 N ATOM 391 CA LEU A 27 -15.280 8.117 21.706 1.00 0.00 C ATOM 392 C LEU A 27 -13.867 7.927 22.266 1.00 0.00 C ATOM 393 O LEU A 27 -12.909 8.368 21.670 1.00 0.00 O ATOM 394 CB LEU A 27 -16.065 9.250 22.443 1.00 0.00 C ATOM 395 CG LEU A 27 -15.397 10.634 22.654 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.558 10.646 23.916 1.00 0.00 C ATOM 397 CD2 LEU A 27 -14.574 11.065 21.447 1.00 0.00 C ATOM 0 H LEU A 27 -16.889 6.950 22.354 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.173 8.408 20.661 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.991 9.416 21.893 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.342 8.869 23.426 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.200 11.362 22.770 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.101 11.628 24.040 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.192 10.429 24.776 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.777 9.889 23.841 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.126 12.039 21.641 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.787 10.334 21.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.220 11.131 20.571 1.00 0.00 H new ATOM 409 N ALA A 28 -13.744 7.223 23.378 1.00 0.00 N ATOM 410 CA ALA A 28 -12.434 6.974 23.983 1.00 0.00 C ATOM 411 C ALA A 28 -11.503 6.190 23.034 1.00 0.00 C ATOM 412 O ALA A 28 -10.278 6.327 23.097 1.00 0.00 O ATOM 413 CB ALA A 28 -12.597 6.223 25.295 1.00 0.00 C ATOM 0 H ALA A 28 -14.529 6.812 23.884 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.970 7.942 24.175 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.616 6.043 25.736 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.200 6.817 25.982 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.091 5.269 25.109 1.00 0.00 H new ATOM 419 N TYR A 29 -12.086 5.368 22.167 1.00 0.00 N ATOM 420 CA TYR A 29 -11.301 4.551 21.237 1.00 0.00 C ATOM 421 C TYR A 29 -11.110 5.230 19.870 1.00 0.00 C ATOM 422 O TYR A 29 -9.998 5.290 19.347 1.00 0.00 O ATOM 423 CB TYR A 29 -11.958 3.173 21.045 1.00 0.00 C ATOM 424 CG TYR A 29 -11.187 2.257 20.117 1.00 0.00 C ATOM 425 CD1 TYR A 29 -10.094 1.540 20.570 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.547 2.128 18.781 1.00 0.00 C ATOM 427 CE1 TYR A 29 -9.379 0.718 19.721 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.844 1.313 17.929 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.757 0.610 18.400 1.00 0.00 C ATOM 430 OH TYR A 29 -9.044 -0.203 17.549 1.00 0.00 O ATOM 0 H TYR A 29 -13.096 5.247 22.086 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.314 4.430 21.683 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -12.060 2.690 22.017 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.965 3.312 20.651 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.795 1.624 21.604 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.396 2.680 18.406 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.529 0.163 20.090 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.142 1.223 16.895 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.635 -0.896 17.188 1.00 0.00 H new ATOM 440 N PHE A 30 -12.190 5.747 19.312 1.00 0.00 N ATOM 441 CA PHE A 30 -12.173 6.318 17.963 1.00 0.00 C ATOM 442 C PHE A 30 -11.715 7.775 17.930 1.00 0.00 C ATOM 443 O PHE A 30 -11.530 8.340 16.849 1.00 0.00 O ATOM 444 CB PHE A 30 -13.528 6.160 17.281 1.00 0.00 C ATOM 445 CG PHE A 30 -13.807 4.765 16.795 1.00 0.00 C ATOM 446 CD1 PHE A 30 -14.306 3.798 17.648 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.575 4.425 15.469 1.00 0.00 C ATOM 448 CE1 PHE A 30 -14.570 2.519 17.194 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.834 3.149 15.009 1.00 0.00 C ATOM 450 CZ PHE A 30 -14.334 2.195 15.874 1.00 0.00 C ATOM 0 H PHE A 30 -13.100 5.786 19.771 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.431 5.749 17.404 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.312 6.454 17.979 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.580 6.846 16.436 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.492 4.045 18.683 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.187 5.168 14.788 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.961 1.774 17.872 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -13.646 2.898 13.976 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.540 1.197 15.517 1.00 0.00 H new ATOM 460 N ALA A 31 -11.524 8.378 19.108 1.00 0.00 N ATOM 461 CA ALA A 31 -11.059 9.778 19.204 1.00 0.00 C ATOM 462 C ALA A 31 -9.701 9.972 18.546 1.00 0.00 C ATOM 463 O ALA A 31 -9.213 11.078 18.446 1.00 0.00 O ATOM 464 CB ALA A 31 -10.973 10.221 20.650 1.00 0.00 C ATOM 0 H ALA A 31 -11.682 7.926 20.009 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.793 10.387 18.676 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.629 11.254 20.694 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.957 10.146 21.113 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.271 9.582 21.185 1.00 0.00 H new ATOM 470 N GLN A 32 -9.091 8.886 18.128 1.00 0.00 N ATOM 471 CA GLN A 32 -7.813 8.944 17.463 1.00 0.00 C ATOM 472 C GLN A 32 -7.923 9.681 16.131 1.00 0.00 C ATOM 473 O GLN A 32 -6.959 10.297 15.678 1.00 0.00 O ATOM 474 CB GLN A 32 -7.268 7.533 17.232 1.00 0.00 C ATOM 475 CG GLN A 32 -7.042 6.739 18.505 1.00 0.00 C ATOM 476 CD GLN A 32 -6.040 7.393 19.438 1.00 0.00 C ATOM 477 OE1 GLN A 32 -5.102 8.063 18.998 1.00 0.00 O ATOM 478 NE2 GLN A 32 -6.237 7.203 20.728 1.00 0.00 N ATOM 0 H GLN A 32 -9.466 7.944 18.239 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.124 9.492 18.106 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.963 6.987 16.595 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.326 7.604 16.689 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.992 6.619 19.026 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.692 5.740 18.247 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.027 6.641 21.046 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.600 7.618 21.408 1.00 0.00 H new ATOM 487 N PHE A 33 -9.099 9.624 15.502 1.00 0.00 N ATOM 488 CA PHE A 33 -9.269 10.250 14.198 1.00 0.00 C ATOM 489 C PHE A 33 -10.607 10.996 14.045 1.00 0.00 C ATOM 490 O PHE A 33 -10.632 12.218 13.996 1.00 0.00 O ATOM 491 CB PHE A 33 -9.138 9.207 13.073 1.00 0.00 C ATOM 492 CG PHE A 33 -7.779 8.561 12.966 1.00 0.00 C ATOM 493 CD1 PHE A 33 -6.745 9.192 12.290 1.00 0.00 C ATOM 494 CD2 PHE A 33 -7.539 7.321 13.535 1.00 0.00 C ATOM 495 CE1 PHE A 33 -5.500 8.598 12.188 1.00 0.00 C ATOM 496 CE2 PHE A 33 -6.299 6.723 13.436 1.00 0.00 C ATOM 497 CZ PHE A 33 -5.277 7.362 12.761 1.00 0.00 C ATOM 0 H PHE A 33 -9.930 9.160 15.869 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.474 10.992 14.120 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.884 8.428 13.230 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.373 9.686 12.123 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.914 10.158 11.838 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.333 6.815 14.064 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.703 9.101 11.660 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.128 5.756 13.886 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.306 6.896 12.682 1.00 0.00 H new ATOM 507 N GLY A 34 -11.713 10.254 13.991 1.00 0.00 N ATOM 508 CA GLY A 34 -12.998 10.869 13.655 1.00 0.00 C ATOM 509 C GLY A 34 -13.902 11.202 14.834 1.00 0.00 C ATOM 510 O GLY A 34 -13.588 10.902 15.987 1.00 0.00 O ATOM 0 H GLY A 34 -11.748 9.251 14.171 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.806 11.786 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.537 10.198 12.987 1.00 0.00 H new ATOM 514 N GLU A 35 -15.042 11.816 14.505 1.00 0.00 N ATOM 515 CA GLU A 35 -16.058 12.230 15.473 1.00 0.00 C ATOM 516 C GLU A 35 -17.288 11.326 15.336 1.00 0.00 C ATOM 517 O GLU A 35 -17.775 11.108 14.226 1.00 0.00 O ATOM 518 CB GLU A 35 -16.478 13.672 15.178 1.00 0.00 C ATOM 519 CG GLU A 35 -15.375 14.702 15.363 1.00 0.00 C ATOM 520 CD GLU A 35 -15.789 16.074 14.871 1.00 0.00 C ATOM 521 OE1 GLU A 35 -16.767 16.632 15.408 1.00 0.00 O ATOM 522 OE2 GLU A 35 -15.139 16.585 13.928 1.00 0.00 O ATOM 0 H GLU A 35 -15.288 12.043 13.541 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.649 12.156 16.481 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.841 13.728 14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.314 13.933 15.827 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.108 14.761 16.418 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.483 14.378 14.826 1.00 0.00 H new ATOM 529 N ILE A 36 -17.779 10.793 16.447 1.00 0.00 N ATOM 530 CA ILE A 36 -18.946 9.912 16.411 1.00 0.00 C ATOM 531 C ILE A 36 -19.971 10.343 17.461 1.00 0.00 C ATOM 532 O ILE A 36 -19.605 10.675 18.589 1.00 0.00 O ATOM 533 CB ILE A 36 -18.589 8.407 16.645 1.00 0.00 C ATOM 534 CG1 ILE A 36 -17.372 7.970 15.822 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.778 7.523 16.288 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.039 8.327 16.442 1.00 0.00 C ATOM 0 H ILE A 36 -17.394 10.951 17.378 1.00 0.00 H new ATOM 0 HA ILE A 36 -19.361 10.003 15.407 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.343 8.296 17.701 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.415 6.890 15.678 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.434 8.426 14.834 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.517 6.478 16.455 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.630 7.789 16.914 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -20.038 7.669 15.240 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.233 7.982 15.795 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.971 9.408 16.561 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.952 7.849 17.418 1.00 0.00 H new ATOM 548 N LEU A 37 -21.249 10.333 17.073 1.00 0.00 N ATOM 549 CA LEU A 37 -22.364 10.731 17.948 1.00 0.00 C ATOM 550 C LEU A 37 -22.281 12.218 18.329 1.00 0.00 C ATOM 551 O LEU A 37 -21.519 12.975 17.731 1.00 0.00 O ATOM 552 CB LEU A 37 -22.460 9.840 19.207 1.00 0.00 C ATOM 553 CG LEU A 37 -22.636 8.335 18.953 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.371 7.582 19.307 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.819 7.784 19.742 1.00 0.00 C ATOM 0 H LEU A 37 -21.545 10.048 16.139 1.00 0.00 H new ATOM 0 HA LEU A 37 -23.280 10.584 17.376 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.558 9.985 19.801 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -23.298 10.187 19.811 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.838 8.195 17.891 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.516 6.518 19.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.546 7.948 18.696 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.138 7.737 20.361 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.922 6.717 19.545 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.651 7.942 20.807 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.730 8.299 19.438 1.00 0.00 H new ATOM 567 N GLU A 38 -23.075 12.635 19.311 1.00 0.00 N ATOM 568 CA GLU A 38 -23.140 14.049 19.677 1.00 0.00 C ATOM 569 C GLU A 38 -22.803 14.294 21.157 1.00 0.00 C ATOM 570 O GLU A 38 -22.602 15.439 21.570 1.00 0.00 O ATOM 571 CB GLU A 38 -24.535 14.589 19.362 1.00 0.00 C ATOM 572 CG GLU A 38 -24.875 14.573 17.879 1.00 0.00 C ATOM 573 CD GLU A 38 -26.289 15.012 17.603 1.00 0.00 C ATOM 574 OE1 GLU A 38 -27.201 14.164 17.682 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.500 16.202 17.305 1.00 0.00 O ATOM 0 H GLU A 38 -23.676 12.023 19.863 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.388 14.576 19.090 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -25.275 13.998 19.902 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.612 15.611 19.733 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.185 15.226 17.345 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.728 13.566 17.487 1.00 0.00 H new ATOM 582 N ASP A 39 -22.736 13.230 21.945 1.00 0.00 N ATOM 583 CA ASP A 39 -22.463 13.367 23.383 1.00 0.00 C ATOM 584 C ASP A 39 -20.963 13.316 23.661 1.00 0.00 C ATOM 585 O ASP A 39 -20.413 12.273 23.991 1.00 0.00 O ATOM 586 CB ASP A 39 -23.206 12.276 24.178 1.00 0.00 C ATOM 587 CG ASP A 39 -22.996 12.381 25.681 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.188 13.484 26.243 1.00 0.00 O ATOM 589 OD2 ASP A 39 -22.674 11.348 26.311 1.00 0.00 O ATOM 0 H ASP A 39 -22.864 12.270 21.625 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.830 14.340 23.710 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.272 12.340 23.961 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.870 11.296 23.838 1.00 0.00 H new ATOM 594 N LEU A 40 -20.309 14.449 23.498 1.00 0.00 N ATOM 595 CA LEU A 40 -18.873 14.533 23.699 1.00 0.00 C ATOM 596 C LEU A 40 -18.496 14.654 25.162 1.00 0.00 C ATOM 597 O LEU A 40 -17.716 13.844 25.671 1.00 0.00 O ATOM 598 CB LEU A 40 -18.266 15.691 22.884 1.00 0.00 C ATOM 599 CG LEU A 40 -17.674 15.305 21.533 1.00 0.00 C ATOM 600 CD1 LEU A 40 -16.506 14.366 21.742 1.00 0.00 C ATOM 601 CD2 LEU A 40 -18.729 14.662 20.644 1.00 0.00 C ATOM 0 H LEU A 40 -20.750 15.328 23.226 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.453 13.594 23.338 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.039 16.441 22.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.486 16.162 23.481 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.321 16.206 21.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.083 14.090 20.776 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -15.744 14.862 22.343 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.848 13.469 22.257 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -18.284 14.395 19.686 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -19.114 13.764 21.128 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -19.546 15.365 20.481 1.00 0.00 H new ATOM 1035 N SER A 67 -20.224 17.708 11.629 1.00 0.00 N ATOM 1036 CA SER A 67 -20.740 18.473 10.520 1.00 0.00 C ATOM 1037 C SER A 67 -21.828 17.723 9.769 1.00 0.00 C ATOM 1038 O SER A 67 -22.804 18.325 9.310 1.00 0.00 O ATOM 1039 CB SER A 67 -19.611 18.876 9.585 1.00 0.00 C ATOM 1040 OG SER A 67 -18.610 19.584 10.293 1.00 0.00 O ATOM 0 HA SER A 67 -21.197 19.376 10.925 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.179 17.988 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 67 -20.002 19.496 8.779 1.00 0.00 H new ATOM 0 HG SER A 67 -18.459 19.156 11.162 1.00 0.00 H new ATOM 1046 N ARG A 68 -21.669 16.420 9.639 1.00 0.00 N ATOM 1047 CA ARG A 68 -22.653 15.631 8.946 1.00 0.00 C ATOM 1048 C ARG A 68 -23.762 15.219 9.893 1.00 0.00 C ATOM 1049 O ARG A 68 -23.504 14.813 11.025 1.00 0.00 O ATOM 1050 CB ARG A 68 -22.048 14.377 8.322 1.00 0.00 C ATOM 1051 CG ARG A 68 -23.077 13.608 7.499 1.00 0.00 C ATOM 1052 CD ARG A 68 -22.503 12.371 6.880 1.00 0.00 C ATOM 1053 NE ARG A 68 -23.518 11.613 6.135 1.00 0.00 N ATOM 1054 CZ ARG A 68 -23.631 11.593 4.800 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -22.846 12.351 4.049 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -24.545 10.832 4.219 1.00 0.00 N ATOM 0 H ARG A 68 -20.874 15.895 10.002 1.00 0.00 H new ATOM 0 HA ARG A 68 -23.052 16.256 8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -21.207 14.655 7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.654 13.732 9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -23.918 13.335 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -23.468 14.256 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.688 12.644 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -22.076 11.739 7.659 1.00 0.00 H new ATOM 0 HE ARG A 68 -24.186 11.061 6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.150 12.955 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.938 12.331 3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.167 10.258 4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -24.627 10.820 3.202 1.00 0.00 H new ATOM 1070 N GLU A 69 -24.986 15.324 9.430 1.00 0.00 N ATOM 1071 CA GLU A 69 -26.132 14.913 10.212 1.00 0.00 C ATOM 1072 C GLU A 69 -26.227 13.388 10.235 1.00 0.00 C ATOM 1073 O GLU A 69 -25.765 12.708 9.309 1.00 0.00 O ATOM 1074 CB GLU A 69 -27.402 15.523 9.630 1.00 0.00 C ATOM 1075 CG GLU A 69 -27.649 15.141 8.185 1.00 0.00 C ATOM 1076 CD GLU A 69 -28.814 15.882 7.582 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -28.696 17.109 7.376 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -29.847 15.239 7.294 1.00 0.00 O ATOM 0 H GLU A 69 -25.216 15.694 8.508 1.00 0.00 H new ATOM 0 HA GLU A 69 -26.015 15.267 11.236 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -28.255 15.209 10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.342 16.609 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -26.752 15.344 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.834 14.069 8.123 1.00 0.00 H new ATOM 1085 N HIS A 70 -26.813 12.854 11.281 1.00 0.00 N ATOM 1086 CA HIS A 70 -26.944 11.414 11.413 1.00 0.00 C ATOM 1087 C HIS A 70 -28.404 11.002 11.343 1.00 0.00 C ATOM 1088 O HIS A 70 -29.292 11.782 11.681 1.00 0.00 O ATOM 1089 CB HIS A 70 -26.301 10.907 12.725 1.00 0.00 C ATOM 1090 CG HIS A 70 -26.976 11.390 13.978 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -27.944 10.663 14.643 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -26.815 12.527 14.688 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -28.346 11.341 15.705 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -27.675 12.470 15.750 1.00 0.00 N ATOM 0 H HIS A 70 -27.207 13.390 12.054 1.00 0.00 H new ATOM 0 HA HIS A 70 -26.411 10.955 10.581 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -26.308 9.817 12.721 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -25.257 11.219 12.747 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.133 13.333 14.460 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -29.096 11.022 16.413 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.779 13.190 16.465 1.00 0.00 H new ATOM 1102 N GLY A 71 -28.643 9.786 10.886 1.00 0.00 N ATOM 1103 CA GLY A 71 -29.993 9.287 10.792 1.00 0.00 C ATOM 1104 C GLY A 71 -30.486 8.757 12.116 1.00 0.00 C ATOM 1105 O GLY A 71 -31.431 9.288 12.694 1.00 0.00 O ATOM 0 H GLY A 71 -27.922 9.134 10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -30.653 10.085 10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -30.037 8.495 10.044 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.842 7.701 12.601 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.216 7.106 13.877 1.00 0.00 C ATOM 1111 C ARG A 72 -29.130 6.229 14.463 1.00 0.00 C ATOM 1112 O ARG A 72 -28.718 6.436 15.599 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.566 6.354 13.793 1.00 0.00 C ATOM 1114 CG ARG A 72 -31.741 5.472 12.563 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.093 4.770 12.589 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.353 4.000 11.367 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.314 4.303 10.476 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -35.106 5.353 10.676 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -34.477 3.557 9.387 1.00 0.00 N ATOM 0 H ARG A 72 -29.062 7.242 12.131 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.345 7.940 14.567 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.675 5.734 14.683 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -32.373 7.086 13.814 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.658 6.078 11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -30.942 4.731 12.524 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.135 4.103 13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.881 5.512 12.721 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.769 3.185 11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.986 5.932 11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.834 5.579 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.872 2.752 9.225 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -35.207 3.790 8.714 1.00 0.00 H new ATOM 1133 N THR A 73 -28.667 5.271 13.707 1.00 0.00 N ATOM 1134 CA THR A 73 -27.693 4.335 14.219 1.00 0.00 C ATOM 1135 C THR A 73 -26.436 4.236 13.345 1.00 0.00 C ATOM 1136 O THR A 73 -25.687 3.258 13.435 1.00 0.00 O ATOM 1137 CB THR A 73 -28.335 2.956 14.373 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.088 2.639 13.184 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.254 2.913 15.590 1.00 0.00 C ATOM 0 H THR A 73 -28.944 5.115 12.738 1.00 0.00 H new ATOM 0 HA THR A 73 -27.369 4.711 15.190 1.00 0.00 H new ATOM 0 HB THR A 73 -27.543 2.221 14.516 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.498 1.754 13.283 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.698 1.921 15.676 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.678 3.132 16.489 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.044 3.655 15.476 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.190 5.249 12.522 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.035 5.230 11.634 1.00 0.00 C ATOM 1149 C TRP A 74 -24.312 6.573 11.617 1.00 0.00 C ATOM 1150 O TRP A 74 -24.927 7.629 11.795 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.444 4.819 10.206 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.574 5.631 9.616 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.901 5.311 9.636 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.474 6.884 8.907 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.632 6.281 8.993 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.783 7.255 8.538 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.413 7.730 8.554 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.055 8.424 7.831 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.690 8.893 7.854 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.001 9.229 7.503 1.00 0.00 C ATOM 0 H TRP A 74 -26.769 6.086 12.451 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.341 4.485 12.024 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.574 4.904 9.555 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.735 3.768 10.214 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.316 4.424 10.091 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.645 6.276 8.874 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.398 7.479 8.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.065 8.685 7.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.880 9.551 7.575 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.184 10.145 6.961 1.00 0.00 H new ATOM 1171 N THR A 75 -23.006 6.517 11.438 1.00 0.00 N ATOM 1172 CA THR A 75 -22.168 7.704 11.367 1.00 0.00 C ATOM 1173 C THR A 75 -21.149 7.576 10.228 1.00 0.00 C ATOM 1174 O THR A 75 -20.546 6.516 10.043 1.00 0.00 O ATOM 1175 CB THR A 75 -21.425 7.935 12.707 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.384 8.105 13.765 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.518 9.154 12.651 1.00 0.00 C ATOM 0 H THR A 75 -22.491 5.642 11.337 1.00 0.00 H new ATOM 0 HA THR A 75 -22.815 8.559 11.172 1.00 0.00 H new ATOM 0 HB THR A 75 -20.802 7.061 12.895 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.450 7.276 14.283 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.017 9.279 13.611 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.773 9.017 11.867 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.113 10.041 12.434 1.00 0.00 H new ATOM 1185 N LYS A 76 -20.991 8.639 9.455 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.018 8.666 8.375 1.00 0.00 C ATOM 1187 C LYS A 76 -18.704 9.204 8.895 1.00 0.00 C ATOM 1188 O LYS A 76 -18.649 10.318 9.414 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.499 9.578 7.244 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.535 9.685 6.078 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.029 10.699 5.060 1.00 0.00 C ATOM 1192 CE LYS A 76 -19.067 10.834 3.905 1.00 0.00 C ATOM 1193 NZ LYS A 76 -19.500 11.870 2.927 1.00 0.00 N ATOM 0 H LYS A 76 -21.528 9.500 9.557 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.893 7.651 7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.456 9.208 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -20.676 10.575 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.550 9.978 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.423 8.711 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -21.007 10.395 4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -20.159 11.668 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.078 11.088 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.975 9.874 3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.809 11.927 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.432 11.616 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.562 12.792 3.403 1.00 0.00 H new ATOM 1207 N LEU A 77 -17.655 8.435 8.760 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.358 8.883 9.185 1.00 0.00 C ATOM 1209 C LEU A 77 -15.506 9.241 7.999 1.00 0.00 C ATOM 1210 O LEU A 77 -15.076 8.370 7.238 1.00 0.00 O ATOM 1211 CB LEU A 77 -15.654 7.845 10.062 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.341 7.530 11.389 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.505 6.569 12.212 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -16.601 8.806 12.162 1.00 0.00 C ATOM 0 H LEU A 77 -17.675 7.497 8.360 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.505 9.776 9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.559 6.920 9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.644 8.197 10.271 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.297 7.051 11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.013 6.359 13.153 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.367 5.640 11.658 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.533 7.017 12.417 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.091 8.566 13.106 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.655 9.309 12.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.244 9.462 11.576 1.00 0.00 H new ATOM 1226 N THR A 78 -15.290 10.519 7.823 1.00 0.00 N ATOM 1227 CA THR A 78 -14.458 11.001 6.765 1.00 0.00 C ATOM 1228 C THR A 78 -13.076 11.336 7.331 1.00 0.00 C ATOM 1229 O THR A 78 -12.859 12.408 7.886 1.00 0.00 O ATOM 1230 CB THR A 78 -15.101 12.247 6.092 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.409 11.904 5.597 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.244 12.751 4.943 1.00 0.00 C ATOM 0 H THR A 78 -15.688 11.250 8.412 1.00 0.00 H new ATOM 0 HA THR A 78 -14.354 10.231 6.001 1.00 0.00 H new ATOM 0 HB THR A 78 -15.178 13.038 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.815 12.689 5.174 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.718 13.622 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.259 13.027 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.140 11.965 4.195 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.158 10.382 7.212 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.806 10.520 7.759 1.00 0.00 C ATOM 1242 C TYR A 79 -9.941 11.417 6.891 1.00 0.00 C ATOM 1243 O TYR A 79 -9.020 12.072 7.388 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.132 9.155 7.863 1.00 0.00 C ATOM 1245 CG TYR A 79 -10.860 8.135 8.703 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -10.765 8.149 10.085 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.625 7.143 8.111 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.413 7.206 10.856 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.270 6.194 8.873 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.163 6.230 10.244 1.00 0.00 C ATOM 1251 OH TYR A 79 -12.798 5.280 11.004 1.00 0.00 O ATOM 0 H TYR A 79 -12.325 9.495 6.737 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.906 10.969 8.747 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.010 8.752 6.858 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.132 9.293 8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.173 8.912 10.568 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.717 7.113 7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.332 7.234 11.933 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.858 5.424 8.396 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.461 4.812 10.455 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.211 11.393 5.582 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.443 12.158 4.587 1.00 0.00 C ATOM 1263 C ALA A 80 -8.031 11.580 4.394 1.00 0.00 C ATOM 1264 O ALA A 80 -7.184 12.194 3.739 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.387 13.643 4.946 1.00 0.00 C ATOM 0 H ALA A 80 -10.969 10.842 5.179 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.967 12.066 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.812 14.179 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.399 14.046 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.910 13.764 5.918 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.789 10.397 4.955 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.502 9.716 4.805 1.00 0.00 C ATOM 1273 C ASN A 81 -6.726 8.237 4.526 1.00 0.00 C ATOM 1274 O ASN A 81 -7.698 7.645 5.005 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.618 9.894 6.047 1.00 0.00 C ATOM 1276 CG ASN A 81 -6.157 9.197 7.274 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -5.839 8.036 7.533 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -6.979 9.891 8.038 1.00 0.00 N ATOM 0 H ASN A 81 -8.469 9.888 5.520 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.980 10.168 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.620 9.512 5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.513 10.958 6.260 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.375 9.468 8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.218 10.851 7.789 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.832 7.640 3.759 1.00 0.00 N ATOM 1286 CA HIS A 82 -5.969 6.245 3.371 1.00 0.00 C ATOM 1287 C HIS A 82 -5.545 5.304 4.499 1.00 0.00 C ATOM 1288 O HIS A 82 -5.973 4.160 4.544 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.149 5.964 2.100 1.00 0.00 C ATOM 1290 CG HIS A 82 -3.658 5.892 2.316 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -2.863 7.008 2.483 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -2.823 4.826 2.400 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -1.608 6.628 2.663 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -1.562 5.310 2.615 1.00 0.00 N ATOM 0 H HIS A 82 -5.000 8.100 3.390 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.022 6.057 3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.486 5.022 1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.359 6.744 1.368 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.103 3.786 2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.765 7.285 2.822 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -0.721 4.743 2.721 1.00 0.00 H new ATOM 1302 N SER A 83 -4.713 5.806 5.398 1.00 0.00 N ATOM 1303 CA SER A 83 -4.177 5.005 6.491 1.00 0.00 C ATOM 1304 C SER A 83 -5.294 4.436 7.380 1.00 0.00 C ATOM 1305 O SER A 83 -5.458 3.221 7.490 1.00 0.00 O ATOM 1306 CB SER A 83 -3.230 5.861 7.325 1.00 0.00 C ATOM 1307 OG SER A 83 -2.287 6.519 6.493 1.00 0.00 O ATOM 0 H SER A 83 -4.391 6.774 5.393 1.00 0.00 H new ATOM 0 HA SER A 83 -3.637 4.160 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.800 6.598 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.709 5.236 8.050 1.00 0.00 H new ATOM 0 HG SER A 83 -1.689 7.065 7.045 1.00 0.00 H new ATOM 1313 N SER A 84 -6.075 5.316 7.982 1.00 0.00 N ATOM 1314 CA SER A 84 -7.152 4.895 8.865 1.00 0.00 C ATOM 1315 C SER A 84 -8.340 4.318 8.090 1.00 0.00 C ATOM 1316 O SER A 84 -9.190 3.638 8.667 1.00 0.00 O ATOM 1317 CB SER A 84 -7.586 6.045 9.776 1.00 0.00 C ATOM 1318 OG SER A 84 -7.888 7.207 9.028 1.00 0.00 O ATOM 0 H SER A 84 -5.985 6.326 7.876 1.00 0.00 H new ATOM 0 HA SER A 84 -6.766 4.091 9.491 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.460 5.744 10.354 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.793 6.266 10.490 1.00 0.00 H new ATOM 0 HG SER A 84 -8.817 7.470 9.194 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.386 4.585 6.781 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.459 4.064 5.933 1.00 0.00 C ATOM 1326 C TYR A 85 -9.475 2.536 5.970 1.00 0.00 C ATOM 1327 O TYR A 85 -10.516 1.925 6.176 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.288 4.558 4.487 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.304 3.993 3.505 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.587 4.512 3.428 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.972 2.948 2.652 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.512 4.007 2.534 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.888 2.437 1.756 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.157 2.970 1.701 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.076 2.468 0.805 1.00 0.00 O ATOM 0 H TYR A 85 -7.697 5.155 6.290 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.410 4.432 6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.357 5.646 4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.286 4.299 4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.869 5.326 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.978 2.528 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.507 4.423 2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.612 1.624 1.101 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.668 1.740 0.291 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.309 1.933 5.789 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.187 0.475 5.813 1.00 0.00 C ATOM 1347 C LEU A 86 -8.517 -0.082 7.193 1.00 0.00 C ATOM 1348 O LEU A 86 -9.120 -1.149 7.322 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.785 0.018 5.378 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.538 -0.044 3.866 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -6.504 1.346 3.255 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.256 -0.800 3.561 1.00 0.00 C ATOM 0 H LEU A 86 -7.432 2.427 5.624 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.909 0.081 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.051 0.693 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.600 -0.971 5.797 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.370 -0.584 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.327 1.268 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.458 1.844 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.703 1.925 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.100 -0.832 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.414 -0.295 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.333 -1.817 3.947 1.00 0.00 H new ATOM 1364 N ARG A 87 -8.105 0.643 8.212 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.319 0.241 9.597 1.00 0.00 C ATOM 1366 C ARG A 87 -9.817 0.257 9.966 1.00 0.00 C ATOM 1367 O ARG A 87 -10.246 -0.443 10.885 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.543 1.181 10.524 1.00 0.00 C ATOM 1369 CG ARG A 87 -7.430 0.698 11.964 1.00 0.00 C ATOM 1370 CD ARG A 87 -6.565 -0.553 12.062 1.00 0.00 C ATOM 1371 NE ARG A 87 -5.250 -0.361 11.436 1.00 0.00 N ATOM 1372 CZ ARG A 87 -4.207 -1.179 11.591 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -4.303 -2.248 12.373 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -3.071 -0.925 10.958 1.00 0.00 N ATOM 0 H ARG A 87 -7.611 1.530 8.109 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.959 -0.781 9.717 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.540 1.321 10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.028 2.157 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.003 1.488 12.582 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.424 0.487 12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.432 -0.821 13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.077 -1.387 11.582 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.125 0.457 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.177 -2.447 12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.502 -2.870 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.996 -0.106 10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.272 -1.548 11.074 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.601 1.046 9.238 1.00 0.00 N ATOM 1389 CA ALA A 88 -12.036 1.181 9.510 1.00 0.00 C ATOM 1390 C ALA A 88 -12.849 -0.001 8.968 1.00 0.00 C ATOM 1391 O ALA A 88 -13.981 -0.204 9.360 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.560 2.485 8.931 1.00 0.00 C ATOM 0 H ALA A 88 -10.269 1.605 8.452 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.158 1.187 10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.626 2.573 9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.031 3.323 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.399 2.495 7.853 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.242 -0.792 8.105 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.922 -1.934 7.476 1.00 0.00 C ATOM 1400 C LEU A 89 -13.087 -3.124 8.421 1.00 0.00 C ATOM 1401 O LEU A 89 -13.652 -4.149 8.030 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.230 -2.359 6.175 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.693 -1.633 4.895 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -12.524 -0.128 5.008 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.939 -2.161 3.687 1.00 0.00 C ATOM 0 H LEU A 89 -11.272 -0.673 7.814 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.925 -1.587 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.157 -2.203 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.384 -3.429 6.038 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.756 -1.835 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.861 0.346 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.116 0.243 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.473 0.109 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.276 -1.640 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.871 -1.994 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.128 -3.229 3.578 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.542 -3.003 9.635 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.622 -4.069 10.646 1.00 0.00 C ATOM 1419 C ARG A 90 -14.023 -4.709 10.720 1.00 0.00 C ATOM 1420 O ARG A 90 -15.023 -4.039 10.991 1.00 0.00 O ATOM 1421 CB ARG A 90 -12.238 -3.534 12.038 1.00 0.00 C ATOM 1422 CG ARG A 90 -13.098 -2.367 12.516 1.00 0.00 C ATOM 1423 CD ARG A 90 -12.892 -2.080 13.995 1.00 0.00 C ATOM 1424 NE ARG A 90 -11.513 -1.719 14.321 1.00 0.00 N ATOM 1425 CZ ARG A 90 -11.032 -0.475 14.325 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -11.797 0.544 13.945 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -9.781 -0.256 14.714 1.00 0.00 N ATOM 0 H ARG A 90 -12.037 -2.173 9.946 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.914 -4.838 10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.313 -4.346 12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.195 -3.219 12.019 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.856 -1.476 11.936 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.149 -2.591 12.333 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.555 -1.270 14.298 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.178 -2.959 14.573 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.872 -2.474 14.563 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.758 0.377 13.648 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.422 1.493 13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.194 -1.037 15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.407 0.693 14.719 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.067 -6.008 10.473 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.293 -6.784 10.537 1.00 0.00 C ATOM 1443 C GLU A 91 -14.922 -8.256 10.643 1.00 0.00 C ATOM 1444 O GLU A 91 -14.804 -8.962 9.635 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.161 -6.532 9.288 1.00 0.00 C ATOM 1446 CG GLU A 91 -17.668 -6.528 9.558 1.00 0.00 C ATOM 1447 CD GLU A 91 -18.182 -7.841 10.107 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -18.390 -8.785 9.315 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -18.385 -7.939 11.338 1.00 0.00 O ATOM 0 H GLU A 91 -13.246 -6.557 10.220 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.876 -6.485 11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.879 -5.574 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.939 -7.298 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.901 -5.731 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -18.195 -6.298 8.632 1.00 0.00 H new ATOM 1456 N HIS A 92 -14.677 -8.692 11.861 1.00 0.00 N ATOM 1457 CA HIS A 92 -14.273 -10.063 12.113 1.00 0.00 C ATOM 1458 C HIS A 92 -14.755 -10.497 13.495 1.00 0.00 C ATOM 1459 O HIS A 92 -14.205 -11.416 14.106 1.00 0.00 O ATOM 1460 CB HIS A 92 -12.739 -10.176 12.008 1.00 0.00 C ATOM 1461 CG HIS A 92 -12.222 -11.588 12.000 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -11.371 -12.086 12.967 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -12.434 -12.602 11.131 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -11.086 -13.347 12.688 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -11.719 -13.680 11.583 1.00 0.00 N ATOM 0 H HIS A 92 -14.751 -8.114 12.698 1.00 0.00 H new ATOM 0 HA HIS A 92 -14.722 -10.721 11.369 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.411 -9.676 11.097 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.289 -9.641 12.844 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.052 -12.569 10.246 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.444 -13.993 13.268 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.683 -14.595 11.134 1.00 0.00 H new ATOM 1473 N GLY A 93 -15.795 -9.847 13.972 1.00 0.00 N ATOM 1474 CA GLY A 93 -16.313 -10.157 15.281 1.00 0.00 C ATOM 1475 C GLY A 93 -15.772 -9.219 16.337 1.00 0.00 C ATOM 1476 O GLY A 93 -15.462 -9.640 17.454 1.00 0.00 O ATOM 0 H GLY A 93 -16.293 -9.108 13.476 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -17.401 -10.097 15.265 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.054 -11.184 15.540 1.00 0.00 H new ATOM 1480 N THR A 94 -15.647 -7.949 15.981 1.00 0.00 N ATOM 1481 CA THR A 94 -15.171 -6.941 16.903 1.00 0.00 C ATOM 1482 C THR A 94 -16.280 -6.599 17.895 1.00 0.00 C ATOM 1483 O THR A 94 -17.161 -5.780 17.612 1.00 0.00 O ATOM 1484 CB THR A 94 -14.731 -5.665 16.144 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.778 -6.019 15.127 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.099 -4.652 17.096 1.00 0.00 C ATOM 0 H THR A 94 -15.872 -7.595 15.051 1.00 0.00 H new ATOM 0 HA THR A 94 -14.307 -7.335 17.438 1.00 0.00 H new ATOM 0 HB THR A 94 -15.613 -5.212 15.692 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.500 -5.213 14.644 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.799 -3.766 16.537 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.823 -4.371 17.861 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.223 -5.095 17.570 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.246 -7.251 19.041 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.251 -7.055 20.057 1.00 0.00 C ATOM 1496 C ILE A 95 -16.932 -5.837 20.892 1.00 0.00 C ATOM 1497 O ILE A 95 -15.862 -5.739 21.499 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.387 -8.305 20.971 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -17.895 -9.501 20.157 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.316 -8.023 22.150 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -17.866 -10.815 20.915 1.00 0.00 C ATOM 0 H ILE A 95 -15.524 -7.927 19.289 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.204 -6.900 19.550 1.00 0.00 H new ATOM 0 HB ILE A 95 -16.402 -8.546 21.372 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -18.917 -9.301 19.834 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.289 -9.599 19.256 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -18.394 -8.914 22.773 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.914 -7.200 22.741 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.304 -7.753 21.778 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.240 -11.613 20.274 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.842 -11.040 21.215 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -18.495 -10.737 21.802 1.00 0.00 H new ATOM 1513 N TYR A 96 -17.852 -4.909 20.903 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.716 -3.711 21.667 1.00 0.00 C ATOM 1515 C TYR A 96 -19.028 -3.452 22.389 1.00 0.00 C ATOM 1516 O TYR A 96 -20.095 -3.503 21.775 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.361 -2.538 20.754 1.00 0.00 C ATOM 1518 CG TYR A 96 -16.642 -1.429 21.468 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -17.334 -0.465 22.173 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -15.257 -1.360 21.442 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -16.674 0.540 22.838 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -14.584 -0.362 22.106 1.00 0.00 C ATOM 1523 CZ TYR A 96 -15.294 0.588 22.802 1.00 0.00 C ATOM 1524 OH TYR A 96 -14.627 1.582 23.471 1.00 0.00 O ATOM 0 H TYR A 96 -18.722 -4.970 20.375 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.912 -3.820 22.395 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.738 -2.899 19.936 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.274 -2.143 20.309 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.413 -0.501 22.202 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -14.698 -2.102 20.891 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -17.230 1.287 23.385 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.505 -0.324 22.081 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.662 1.471 23.345 1.00 0.00 H new ATOM 1534 N CYS A 97 -18.952 -3.229 23.697 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.141 -2.994 24.522 1.00 0.00 C ATOM 1536 C CYS A 97 -21.046 -4.240 24.558 1.00 0.00 C ATOM 1537 O CYS A 97 -22.203 -4.177 24.993 1.00 0.00 O ATOM 1538 CB CYS A 97 -20.923 -1.767 24.024 1.00 0.00 C ATOM 1539 SG CYS A 97 -20.010 -0.211 24.113 1.00 0.00 S ATOM 0 H CYS A 97 -18.074 -3.205 24.216 1.00 0.00 H new ATOM 0 HA CYS A 97 -19.805 -2.792 25.539 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.224 -1.939 22.991 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.837 -1.672 24.610 1.00 0.00 H new ATOM 0 HG CYS A 97 -19.474 -0.089 25.291 1.00 0.00 H new ATOM 1545 N GLY A 98 -20.500 -5.372 24.122 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.245 -6.615 24.133 1.00 0.00 C ATOM 1547 C GLY A 98 -21.698 -7.074 22.753 1.00 0.00 C ATOM 1548 O GLY A 98 -22.064 -8.234 22.579 1.00 0.00 O ATOM 0 H GLY A 98 -19.550 -5.448 23.760 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -20.627 -7.394 24.580 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.120 -6.497 24.772 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.659 -6.189 21.769 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.097 -6.547 20.421 1.00 0.00 C ATOM 1554 C ALA A 99 -21.002 -6.297 19.400 1.00 0.00 C ATOM 1555 O ALA A 99 -20.158 -5.425 19.589 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.351 -5.774 20.051 1.00 0.00 C ATOM 0 H ALA A 99 -21.333 -5.228 21.872 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.324 -7.613 20.414 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.665 -6.051 19.045 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.146 -6.011 20.758 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.142 -4.705 20.085 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.005 -7.068 18.322 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.005 -6.903 17.271 1.00 0.00 C ATOM 1564 C ALA A 100 -20.390 -5.771 16.337 1.00 0.00 C ATOM 1565 O ALA A 100 -21.359 -5.878 15.577 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.814 -8.196 16.481 1.00 0.00 C ATOM 0 H ALA A 100 -21.683 -7.810 18.150 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.059 -6.655 17.751 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.063 -8.041 15.706 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.483 -8.988 17.153 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.759 -8.483 16.019 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.645 -4.685 16.404 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.891 -3.548 15.542 1.00 0.00 C ATOM 1574 C ILE A 101 -19.181 -3.739 14.208 1.00 0.00 C ATOM 1575 O ILE A 101 -18.300 -4.603 14.080 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.449 -2.207 16.188 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.946 -2.213 16.513 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -20.268 -1.926 17.441 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.415 -0.863 16.965 1.00 0.00 C ATOM 0 H ILE A 101 -18.863 -4.567 17.048 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.968 -3.493 15.383 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.630 -1.410 15.467 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.755 -2.949 17.294 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.393 -2.534 15.630 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.946 -0.983 17.882 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -21.324 -1.862 17.179 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -20.121 -2.732 18.160 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.349 -0.944 17.177 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.574 -0.127 16.177 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.941 -0.548 17.866 1.00 0.00 H new ATOM 1591 N GLY A 102 -19.561 -2.957 13.218 1.00 0.00 N ATOM 1592 CA GLY A 102 -18.950 -3.084 11.920 1.00 0.00 C ATOM 1593 C GLY A 102 -18.925 -1.779 11.170 1.00 0.00 C ATOM 1594 O GLY A 102 -19.727 -0.876 11.445 1.00 0.00 O ATOM 0 H GLY A 102 -20.280 -2.238 13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -17.931 -3.454 12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -19.494 -3.826 11.336 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.003 -1.668 10.239 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.860 -0.482 9.432 1.00 0.00 C ATOM 1600 C CYS A 103 -17.485 -0.871 8.007 1.00 0.00 C ATOM 1601 O CYS A 103 -16.660 -1.763 7.794 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.802 0.442 10.036 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.616 2.020 9.187 1.00 0.00 S ATOM 0 H CYS A 103 -17.330 -2.403 10.022 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.809 0.054 9.410 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -17.057 0.633 11.079 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.842 -0.074 10.032 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.760 2.759 9.828 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.112 -0.222 7.039 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.869 -0.514 5.634 1.00 0.00 C ATOM 1611 C VAL A 104 -17.578 0.774 4.859 1.00 0.00 C ATOM 1612 O VAL A 104 -17.821 1.871 5.371 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.090 -1.233 4.987 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.371 -2.561 5.676 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.324 -0.341 5.020 1.00 0.00 C ATOM 0 H VAL A 104 -18.798 0.515 7.202 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.003 -1.174 5.584 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.843 -1.438 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.228 -3.041 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.498 -3.208 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.588 -2.385 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.164 -0.864 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.568 -0.096 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.124 0.577 4.467 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.048 0.663 3.611 1.00 0.00 N ATOM 1626 CA PRO A 105 -16.791 1.827 2.753 1.00 0.00 C ATOM 1627 C PRO A 105 -18.080 2.584 2.448 1.00 0.00 C ATOM 1628 O PRO A 105 -19.165 1.991 2.408 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.207 1.218 1.471 1.00 0.00 C ATOM 1630 CG PRO A 105 -15.730 -0.137 1.867 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.650 -0.595 2.956 1.00 0.00 C ATOM 0 HA PRO A 105 -16.124 2.550 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.960 1.157 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.390 1.826 1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -15.756 -0.823 1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.698 -0.101 2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.511 -1.131 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.148 -1.269 3.650 1.00 0.00 H new ATOM 1639 N TYR A 106 -17.961 3.887 2.247 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.122 4.736 2.028 1.00 0.00 C ATOM 1641 C TYR A 106 -19.892 4.343 0.770 1.00 0.00 C ATOM 1642 O TYR A 106 -19.334 4.255 -0.322 1.00 0.00 O ATOM 1643 CB TYR A 106 -18.705 6.210 1.956 1.00 0.00 C ATOM 1644 CG TYR A 106 -19.869 7.171 1.874 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -20.582 7.506 3.011 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.247 7.751 0.666 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -21.641 8.385 2.956 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.308 8.634 0.603 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.001 8.946 1.752 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.053 9.829 1.702 1.00 0.00 O ATOM 0 H TYR A 106 -17.069 4.381 2.231 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.789 4.594 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.108 6.452 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.065 6.355 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.303 7.070 3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.703 7.507 -0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.187 8.633 3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.592 9.076 -0.340 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.179 10.136 0.780 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.181 4.115 0.949 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.083 3.778 -0.135 1.00 0.00 C ATOM 1662 C LYS A 107 -23.275 4.721 -0.099 1.00 0.00 C ATOM 1663 O LYS A 107 -23.942 4.833 0.932 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.578 2.333 0.024 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.511 1.267 -0.156 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.084 -0.116 0.115 1.00 0.00 C ATOM 1667 CE LYS A 107 -21.037 -1.211 -0.056 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.645 -1.387 -1.474 1.00 0.00 N ATOM 0 H LYS A 107 -21.635 4.159 1.861 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.557 3.874 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.018 2.222 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.374 2.155 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.114 1.310 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.678 1.460 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.483 -0.151 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.918 -0.302 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.155 -0.965 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -21.429 -2.151 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.010 -2.206 -1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.495 -1.546 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.155 -0.532 -1.807 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.556 5.388 -1.212 1.00 0.00 N ATOM 1683 CA HIS A 108 -24.685 6.306 -1.277 1.00 0.00 C ATOM 1684 C HIS A 108 -25.995 5.540 -1.116 1.00 0.00 C ATOM 1685 O HIS A 108 -26.940 6.019 -0.490 1.00 0.00 O ATOM 1686 CB HIS A 108 -24.673 7.127 -2.599 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.147 6.392 -3.838 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -26.484 6.188 -4.133 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -24.456 5.826 -4.860 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -26.591 5.527 -5.274 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -25.379 5.296 -5.736 1.00 0.00 N ATOM 0 H HIS A 108 -23.021 5.311 -2.077 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.596 7.017 -0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.298 8.009 -2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -23.657 7.480 -2.776 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -23.382 5.796 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -27.515 5.228 -5.746 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -25.159 4.804 -6.602 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.028 4.338 -1.667 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.195 3.485 -1.598 1.00 0.00 C ATOM 1701 C GLU A 109 -27.425 2.980 -0.175 1.00 0.00 C ATOM 1702 O GLU A 109 -28.564 2.836 0.267 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.043 2.323 -2.575 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.212 1.360 -2.592 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.080 0.337 -3.687 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.241 -0.573 -3.559 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.812 0.446 -4.695 1.00 0.00 O ATOM 0 H GLU A 109 -25.244 3.929 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.071 4.068 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -26.905 2.725 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.137 1.771 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.280 0.854 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.139 1.917 -2.725 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.340 2.723 0.538 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.433 2.244 1.910 1.00 0.00 C ATOM 1716 C LEU A 110 -27.095 3.284 2.800 1.00 0.00 C ATOM 1717 O LEU A 110 -27.949 2.956 3.614 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.046 1.889 2.459 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.014 1.366 3.897 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.809 0.073 4.024 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.581 1.163 4.355 1.00 0.00 C ATOM 0 H LEU A 110 -25.387 2.837 0.192 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.047 1.344 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.600 1.137 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.415 2.776 2.400 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.480 2.111 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.771 -0.278 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.846 0.254 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.380 -0.684 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.576 0.791 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.090 0.440 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.047 2.112 4.311 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.716 4.545 2.616 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.262 5.632 3.419 1.00 0.00 C ATOM 1735 C ILE A 111 -28.772 5.751 3.227 1.00 0.00 C ATOM 1736 O ILE A 111 -29.522 5.868 4.207 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.588 6.983 3.073 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.064 6.880 3.238 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.149 8.112 3.937 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.615 6.535 4.645 1.00 0.00 C ATOM 0 H ILE A 111 -26.033 4.839 1.918 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.054 5.395 4.462 1.00 0.00 H new ATOM 0 HB ILE A 111 -26.809 7.216 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.685 6.123 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.613 7.829 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.659 9.049 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.222 8.203 3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -26.967 7.890 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.527 6.481 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -24.961 7.304 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.034 5.572 4.935 1.00 0.00 H new ATOM 1752 N SER A 112 -29.219 5.720 1.983 1.00 0.00 N ATOM 1753 CA SER A 112 -30.634 5.804 1.699 1.00 0.00 C ATOM 1754 C SER A 112 -31.389 4.605 2.273 1.00 0.00 C ATOM 1755 O SER A 112 -32.439 4.773 2.888 1.00 0.00 O ATOM 1756 CB SER A 112 -30.873 5.955 0.193 1.00 0.00 C ATOM 1757 OG SER A 112 -30.075 5.044 -0.546 1.00 0.00 O ATOM 0 H SER A 112 -28.623 5.638 1.160 1.00 0.00 H new ATOM 0 HA SER A 112 -31.027 6.694 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.926 5.784 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.644 6.975 -0.114 1.00 0.00 H new ATOM 0 HG SER A 112 -29.720 4.357 0.056 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.835 3.403 2.112 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.481 2.205 2.640 1.00 0.00 C ATOM 1765 C GLU A 113 -31.534 2.216 4.160 1.00 0.00 C ATOM 1766 O GLU A 113 -32.543 1.836 4.747 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.812 0.931 2.128 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.055 0.680 0.652 1.00 0.00 C ATOM 1769 CD GLU A 113 -32.533 0.523 0.334 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -33.165 -0.410 0.865 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -33.073 1.343 -0.443 1.00 0.00 O ATOM 0 H GLU A 113 -29.953 3.235 1.627 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.507 2.213 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -29.739 0.995 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -31.181 0.080 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.646 1.507 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -30.521 -0.219 0.345 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.456 2.667 4.800 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.420 2.747 6.253 1.00 0.00 C ATOM 1780 C LEU A 114 -31.473 3.705 6.763 1.00 0.00 C ATOM 1781 O LEU A 114 -32.152 3.430 7.749 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.051 3.186 6.740 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.925 2.178 6.551 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.611 2.783 6.970 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.202 0.910 7.339 1.00 0.00 C ATOM 0 H LEU A 114 -29.603 2.980 4.336 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.628 1.751 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.780 4.106 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.124 3.427 7.801 1.00 0.00 H new ATOM 0 HG LEU A 114 -27.869 1.916 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.813 2.053 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.406 3.665 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.661 3.070 8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.386 0.203 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.285 1.151 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.135 0.464 6.995 1.00 0.00 H new ATOM 1797 N SER A 115 -31.601 4.840 6.087 1.00 0.00 N ATOM 1798 CA SER A 115 -32.592 5.840 6.445 1.00 0.00 C ATOM 1799 C SER A 115 -34.013 5.293 6.250 1.00 0.00 C ATOM 1800 O SER A 115 -34.885 5.488 7.096 1.00 0.00 O ATOM 1801 CB SER A 115 -32.384 7.107 5.604 1.00 0.00 C ATOM 1802 OG SER A 115 -31.048 7.583 5.727 1.00 0.00 O ATOM 0 H SER A 115 -31.025 5.089 5.283 1.00 0.00 H new ATOM 0 HA SER A 115 -32.469 6.091 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.604 6.894 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.081 7.881 5.926 1.00 0.00 H new ATOM 0 HG SER A 115 -30.473 7.114 5.086 1.00 0.00 H new