USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 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 Single : A 11 ASN : amide:sc=-0.00597 X(o=-0.006,f=0.43) USER MOD Single : A 18 TYR OH : rot 60:sc= -0.441 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.889 USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0.421) USER MOD Single : A 25 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.3) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0.0055) USER MOD Single : A 67 SER OG : rot -54:sc= 0.0608 USER MOD Single : A 70 HIS : no HD1:sc= 1.16 K(o=1.4,f=-4.5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 1.15 (180deg=0.64) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 84 SER OG : rot 20:sc= -1.08 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 126:sc= 0.159 USER MOD Single : A 96 TYR OH : rot 30:sc=-0.00118 USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 175:sc= -1.55! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= -0.053 (180deg=-0.379) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 112 SER OG : rot 80:sc= 1.15 USER MOD Single : A 115 SER OG : rot -82:sc= 0.95 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.503 6.793 0.200 1.00 0.00 N ATOM 131 CA ASN A 11 -12.515 7.050 1.252 1.00 0.00 C ATOM 132 C ASN A 11 -13.204 7.364 2.572 1.00 0.00 C ATOM 133 O ASN A 11 -12.572 7.803 3.536 1.00 0.00 O ATOM 134 CB ASN A 11 -11.592 8.214 0.858 1.00 0.00 C ATOM 135 CG ASN A 11 -10.620 7.866 -0.267 1.00 0.00 C ATOM 136 OD1 ASN A 11 -10.891 7.002 -1.107 1.00 0.00 O ATOM 137 ND2 ASN A 11 -9.490 8.543 -0.290 1.00 0.00 N ATOM 0 HA ASN A 11 -11.914 6.149 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.202 9.063 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.024 8.530 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.801 8.361 -1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.304 9.249 0.422 1.00 0.00 H new ATOM 144 N ALA A 12 -14.498 7.143 2.603 1.00 0.00 N ATOM 145 CA ALA A 12 -15.285 7.352 3.793 1.00 0.00 C ATOM 146 C ALA A 12 -16.105 6.114 4.071 1.00 0.00 C ATOM 147 O ALA A 12 -16.611 5.477 3.141 1.00 0.00 O ATOM 148 CB ALA A 12 -16.189 8.565 3.626 1.00 0.00 C ATOM 0 H ALA A 12 -15.034 6.812 1.801 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.621 7.540 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.776 8.709 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.580 9.450 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.859 8.406 2.781 1.00 0.00 H new ATOM 154 N VAL A 13 -16.241 5.770 5.331 1.00 0.00 N ATOM 155 CA VAL A 13 -16.988 4.586 5.713 1.00 0.00 C ATOM 156 C VAL A 13 -18.169 4.949 6.575 1.00 0.00 C ATOM 157 O VAL A 13 -18.193 6.007 7.207 1.00 0.00 O ATOM 158 CB VAL A 13 -16.112 3.559 6.485 1.00 0.00 C ATOM 159 CG1 VAL A 13 -15.026 2.991 5.594 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.501 4.189 7.733 1.00 0.00 C ATOM 0 H VAL A 13 -15.845 6.292 6.113 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.327 4.129 4.784 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.761 2.741 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.429 2.276 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.481 2.489 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.386 3.799 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.893 3.449 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.876 5.034 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.297 4.535 8.393 1.00 0.00 H new ATOM 170 N VAL A 14 -19.151 4.088 6.585 1.00 0.00 N ATOM 171 CA VAL A 14 -20.311 4.281 7.411 1.00 0.00 C ATOM 172 C VAL A 14 -20.252 3.313 8.568 1.00 0.00 C ATOM 173 O VAL A 14 -20.205 2.098 8.363 1.00 0.00 O ATOM 174 CB VAL A 14 -21.621 4.060 6.617 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.839 4.293 7.504 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.665 4.965 5.392 1.00 0.00 C ATOM 0 H VAL A 14 -19.169 3.237 6.023 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.311 5.310 7.771 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.643 3.024 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.748 4.132 6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.816 3.598 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.825 5.316 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.594 4.795 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.615 6.007 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.818 4.741 4.744 1.00 0.00 H new ATOM 186 N VAL A 15 -20.228 3.844 9.773 1.00 0.00 N ATOM 187 CA VAL A 15 -20.157 3.021 10.961 1.00 0.00 C ATOM 188 C VAL A 15 -21.539 2.895 11.572 1.00 0.00 C ATOM 189 O VAL A 15 -22.170 3.898 11.912 1.00 0.00 O ATOM 190 CB VAL A 15 -19.181 3.622 12.005 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.100 2.746 13.249 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.800 3.813 11.394 1.00 0.00 C ATOM 0 H VAL A 15 -20.257 4.847 9.955 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.784 2.038 10.674 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.566 4.596 12.306 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.408 3.192 13.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.088 2.665 13.702 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.746 1.753 12.972 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.127 4.236 12.140 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.413 2.850 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.869 4.490 10.543 1.00 0.00 H new ATOM 202 N PHE A 16 -22.010 1.671 11.697 1.00 0.00 N ATOM 203 CA PHE A 16 -23.331 1.415 12.240 1.00 0.00 C ATOM 204 C PHE A 16 -23.328 0.173 13.116 1.00 0.00 C ATOM 205 O PHE A 16 -22.387 -0.625 13.078 1.00 0.00 O ATOM 206 CB PHE A 16 -24.371 1.278 11.107 1.00 0.00 C ATOM 207 CG PHE A 16 -24.101 0.151 10.138 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.613 -1.118 10.364 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.347 0.369 8.997 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.373 -2.146 9.474 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.101 -0.655 8.104 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.616 -1.915 8.342 1.00 0.00 C ATOM 0 H PHE A 16 -21.495 0.832 11.428 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.610 2.267 12.861 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.355 1.130 11.551 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.410 2.215 10.552 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.207 -1.304 11.247 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.946 1.353 8.803 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.777 -3.130 9.663 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.507 -0.471 7.221 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.427 -2.717 7.644 1.00 0.00 H new ATOM 222 N GLY A 17 -24.377 0.016 13.904 1.00 0.00 N ATOM 223 CA GLY A 17 -24.482 -1.134 14.779 1.00 0.00 C ATOM 224 C GLY A 17 -24.650 -0.735 16.225 1.00 0.00 C ATOM 225 O GLY A 17 -25.101 -1.529 17.048 1.00 0.00 O ATOM 0 H GLY A 17 -25.162 0.666 13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.330 -1.746 14.472 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.589 -1.751 14.675 1.00 0.00 H new ATOM 229 N TYR A 18 -24.322 0.504 16.527 1.00 0.00 N ATOM 230 CA TYR A 18 -24.426 1.012 17.880 1.00 0.00 C ATOM 231 C TYR A 18 -25.748 1.749 18.075 1.00 0.00 C ATOM 232 O TYR A 18 -26.494 1.954 17.117 1.00 0.00 O ATOM 233 CB TYR A 18 -23.237 1.931 18.201 1.00 0.00 C ATOM 234 CG TYR A 18 -23.096 3.125 17.274 1.00 0.00 C ATOM 235 CD1 TYR A 18 -23.736 4.326 17.552 1.00 0.00 C ATOM 236 CD2 TYR A 18 -22.319 3.049 16.123 1.00 0.00 C ATOM 237 CE1 TYR A 18 -23.606 5.413 16.714 1.00 0.00 C ATOM 238 CE2 TYR A 18 -22.185 4.134 15.279 1.00 0.00 C ATOM 239 CZ TYR A 18 -22.833 5.314 15.580 1.00 0.00 C ATOM 240 OH TYR A 18 -22.702 6.401 14.749 1.00 0.00 O ATOM 0 H TYR A 18 -23.978 1.183 15.848 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.402 0.168 18.570 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -23.339 2.292 19.225 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.319 1.344 18.160 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -24.346 4.410 18.440 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.812 2.126 15.885 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -24.109 6.340 16.947 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -21.577 4.059 14.389 1.00 0.00 H new ATOM 0 HH TYR A 18 -22.305 7.147 15.246 1.00 0.00 H new ATOM 250 N ARG A 19 -26.045 2.121 19.315 1.00 0.00 N ATOM 251 CA ARG A 19 -27.285 2.822 19.613 1.00 0.00 C ATOM 252 C ARG A 19 -27.121 4.335 19.513 1.00 0.00 C ATOM 253 O ARG A 19 -27.430 4.920 18.487 1.00 0.00 O ATOM 254 CB ARG A 19 -27.818 2.438 20.998 1.00 0.00 C ATOM 255 CG ARG A 19 -29.034 3.256 21.446 1.00 0.00 C ATOM 256 CD ARG A 19 -30.261 2.962 20.592 1.00 0.00 C ATOM 257 NE ARG A 19 -30.681 1.570 20.699 1.00 0.00 N ATOM 258 CZ ARG A 19 -31.438 0.932 19.806 1.00 0.00 C ATOM 259 NH1 ARG A 19 -31.880 1.564 18.722 1.00 0.00 N ATOM 260 NH2 ARG A 19 -31.751 -0.340 20.000 1.00 0.00 N ATOM 0 H ARG A 19 -25.448 1.950 20.124 1.00 0.00 H new ATOM 0 HA ARG A 19 -28.011 2.514 18.861 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.086 1.381 20.993 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -27.020 2.561 21.730 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -29.256 3.034 22.490 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.798 4.319 21.389 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -31.080 3.612 20.899 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -30.042 3.195 19.550 1.00 0.00 H new ATOM 0 HE ARG A 19 -30.373 1.045 21.518 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -31.640 2.544 18.569 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -32.459 1.069 18.043 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -31.413 -0.827 20.830 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -32.330 -0.832 19.320 1.00 0.00 H new ATOM 274 N GLU A 20 -26.619 4.952 20.587 1.00 0.00 N ATOM 275 CA GLU A 20 -26.489 6.407 20.647 1.00 0.00 C ATOM 276 C GLU A 20 -25.848 6.824 21.973 1.00 0.00 C ATOM 277 O GLU A 20 -24.969 7.675 22.011 1.00 0.00 O ATOM 278 CB GLU A 20 -27.879 7.053 20.526 1.00 0.00 C ATOM 279 CG GLU A 20 -27.874 8.568 20.418 1.00 0.00 C ATOM 280 CD GLU A 20 -29.276 9.130 20.366 1.00 0.00 C ATOM 281 OE1 GLU A 20 -30.022 8.807 19.416 1.00 0.00 O ATOM 282 OE2 GLU A 20 -29.657 9.881 21.291 1.00 0.00 O ATOM 0 H GLU A 20 -26.297 4.466 21.424 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.856 6.740 19.824 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -28.379 6.643 19.649 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.473 6.767 21.394 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.344 8.992 21.271 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -27.329 8.867 19.523 1.00 0.00 H new ATOM 289 N ALA A 21 -26.275 6.190 23.056 1.00 0.00 N ATOM 290 CA ALA A 21 -25.796 6.541 24.386 1.00 0.00 C ATOM 291 C ALA A 21 -24.580 5.708 24.805 1.00 0.00 C ATOM 292 O ALA A 21 -24.310 5.542 25.993 1.00 0.00 O ATOM 293 CB ALA A 21 -26.921 6.397 25.397 1.00 0.00 C ATOM 0 H ALA A 21 -26.953 5.429 23.040 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.470 7.581 24.356 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.555 6.661 26.389 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.742 7.060 25.125 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.275 5.366 25.404 1.00 0.00 H new ATOM 299 N ILE A 22 -23.845 5.203 23.827 1.00 0.00 N ATOM 300 CA ILE A 22 -22.652 4.394 24.095 1.00 0.00 C ATOM 301 C ILE A 22 -21.377 5.144 23.721 1.00 0.00 C ATOM 302 O ILE A 22 -20.275 4.574 23.759 1.00 0.00 O ATOM 303 CB ILE A 22 -22.698 3.026 23.344 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.887 3.215 21.821 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.795 2.138 23.909 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.600 3.488 21.060 1.00 0.00 C ATOM 0 H ILE A 22 -24.049 5.336 22.836 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.643 4.197 25.167 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.737 2.537 23.500 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.355 2.320 21.411 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.577 4.041 21.652 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.809 1.190 23.371 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.605 1.952 24.966 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.759 2.634 23.796 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.823 3.608 20.000 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -21.139 4.400 21.439 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.914 2.652 21.194 1.00 0.00 H new ATOM 318 N THR A 23 -21.524 6.420 23.394 1.00 0.00 N ATOM 319 CA THR A 23 -20.420 7.228 22.896 1.00 0.00 C ATOM 320 C THR A 23 -19.257 7.277 23.872 1.00 0.00 C ATOM 321 O THR A 23 -18.122 7.071 23.478 1.00 0.00 O ATOM 322 CB THR A 23 -20.877 8.664 22.621 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.109 8.637 21.903 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.829 9.409 21.805 1.00 0.00 C ATOM 0 H THR A 23 -22.409 6.923 23.466 1.00 0.00 H new ATOM 0 HA THR A 23 -20.087 6.753 21.973 1.00 0.00 H new ATOM 0 HB THR A 23 -21.013 9.180 23.571 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.405 9.554 21.727 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.170 10.428 21.619 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.890 9.436 22.357 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.677 8.898 20.855 1.00 0.00 H new ATOM 332 N LYS A 24 -19.553 7.504 25.146 1.00 0.00 N ATOM 333 CA LYS A 24 -18.535 7.637 26.179 1.00 0.00 C ATOM 334 C LYS A 24 -17.510 6.488 26.117 1.00 0.00 C ATOM 335 O LYS A 24 -16.323 6.692 26.353 1.00 0.00 O ATOM 336 CB LYS A 24 -19.200 7.641 27.548 1.00 0.00 C ATOM 337 CG LYS A 24 -20.377 8.609 27.682 1.00 0.00 C ATOM 338 CD LYS A 24 -20.000 10.040 27.348 1.00 0.00 C ATOM 339 CE LYS A 24 -21.123 10.986 27.727 1.00 0.00 C ATOM 340 NZ LYS A 24 -20.756 12.402 27.519 1.00 0.00 N ATOM 0 H LYS A 24 -20.508 7.601 25.492 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.006 8.575 26.010 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.549 6.633 27.771 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -18.452 7.893 28.300 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.184 8.287 27.023 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.762 8.568 28.701 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.089 10.316 27.879 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.787 10.127 26.283 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -22.008 10.751 27.136 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.388 10.831 28.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.606 12.949 27.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.338 12.784 28.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.065 12.471 26.745 1.00 0.00 H new ATOM 354 N GLN A 25 -17.980 5.293 25.793 1.00 0.00 N ATOM 355 CA GLN A 25 -17.109 4.129 25.720 1.00 0.00 C ATOM 356 C GLN A 25 -16.330 4.066 24.398 1.00 0.00 C ATOM 357 O GLN A 25 -15.099 4.113 24.389 1.00 0.00 O ATOM 358 CB GLN A 25 -17.907 2.831 25.921 1.00 0.00 C ATOM 359 CG GLN A 25 -18.395 2.611 27.350 1.00 0.00 C ATOM 360 CD GLN A 25 -19.574 3.494 27.736 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.702 3.907 28.883 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.453 3.766 26.788 1.00 0.00 N ATOM 0 H GLN A 25 -18.959 5.104 25.577 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.384 4.231 26.528 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.768 2.840 25.252 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.284 1.986 25.628 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.680 1.566 27.470 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.571 2.798 28.039 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.313 3.405 25.844 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.271 4.337 27.000 1.00 0.00 H new ATOM 371 N ILE A 26 -17.054 3.980 23.283 1.00 0.00 N ATOM 372 CA ILE A 26 -16.442 3.795 21.974 1.00 0.00 C ATOM 373 C ILE A 26 -15.604 5.009 21.528 1.00 0.00 C ATOM 374 O ILE A 26 -14.618 4.861 20.798 1.00 0.00 O ATOM 375 CB ILE A 26 -17.519 3.469 20.902 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.860 2.912 19.656 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.347 4.704 20.558 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.837 2.366 18.634 1.00 0.00 C ATOM 0 H ILE A 26 -18.072 4.036 23.264 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.760 2.950 22.071 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.193 2.718 21.314 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.264 3.697 19.191 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.171 2.118 19.945 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.092 4.445 19.806 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.849 5.067 21.455 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.693 5.483 20.167 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.288 1.986 17.772 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.416 1.558 19.080 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.510 3.161 18.314 1.00 0.00 H new ATOM 390 N LEU A 27 -15.983 6.194 21.991 1.00 0.00 N ATOM 391 CA LEU A 27 -15.314 7.428 21.593 1.00 0.00 C ATOM 392 C LEU A 27 -13.845 7.427 21.986 1.00 0.00 C ATOM 393 O LEU A 27 -13.003 7.783 21.193 1.00 0.00 O ATOM 394 CB LEU A 27 -16.008 8.632 22.223 1.00 0.00 C ATOM 395 CG LEU A 27 -15.430 9.995 21.874 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.641 10.311 20.403 1.00 0.00 C ATOM 397 CD2 LEU A 27 -16.048 11.066 22.748 1.00 0.00 C ATOM 0 H LEU A 27 -16.754 6.327 22.646 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.375 7.494 20.507 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.057 8.618 21.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.982 8.515 23.306 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.356 9.973 22.061 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.219 11.290 20.177 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.147 9.554 19.794 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.708 10.315 20.181 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.626 12.037 22.488 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.126 11.086 22.591 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.837 10.848 23.795 1.00 0.00 H new ATOM 409 N ALA A 28 -13.547 6.982 23.195 1.00 0.00 N ATOM 410 CA ALA A 28 -12.176 6.984 23.710 1.00 0.00 C ATOM 411 C ALA A 28 -11.211 6.198 22.811 1.00 0.00 C ATOM 412 O ALA A 28 -10.003 6.426 22.838 1.00 0.00 O ATOM 413 CB ALA A 28 -12.149 6.432 25.125 1.00 0.00 C ATOM 0 H ALA A 28 -14.238 6.611 23.847 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.834 8.019 23.717 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.125 6.438 25.498 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.774 7.051 25.769 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.529 5.410 25.124 1.00 0.00 H new ATOM 419 N TYR A 29 -11.746 5.280 22.023 1.00 0.00 N ATOM 420 CA TYR A 29 -10.921 4.459 21.154 1.00 0.00 C ATOM 421 C TYR A 29 -10.665 5.139 19.797 1.00 0.00 C ATOM 422 O TYR A 29 -9.528 5.213 19.338 1.00 0.00 O ATOM 423 CB TYR A 29 -11.578 3.092 20.938 1.00 0.00 C ATOM 424 CG TYR A 29 -10.713 2.112 20.176 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.798 1.311 20.840 1.00 0.00 C ATOM 426 CD2 TYR A 29 -10.815 1.986 18.795 1.00 0.00 C ATOM 427 CE1 TYR A 29 -9.006 0.413 20.155 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.026 1.096 18.101 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.120 0.308 18.788 1.00 0.00 C ATOM 430 OH TYR A 29 -8.328 -0.586 18.108 1.00 0.00 O ATOM 0 H TYR A 29 -12.746 5.085 21.967 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.958 4.326 21.646 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.829 2.663 21.908 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.515 3.231 20.399 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.703 1.391 21.913 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.525 2.597 18.257 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.300 -0.205 20.689 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.114 1.014 17.028 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.124 -1.349 18.688 1.00 0.00 H new ATOM 440 N PHE A 30 -11.719 5.645 19.172 1.00 0.00 N ATOM 441 CA PHE A 30 -11.599 6.223 17.831 1.00 0.00 C ATOM 442 C PHE A 30 -11.332 7.730 17.854 1.00 0.00 C ATOM 443 O PHE A 30 -11.044 8.329 16.814 1.00 0.00 O ATOM 444 CB PHE A 30 -12.845 5.935 17.003 1.00 0.00 C ATOM 445 CG PHE A 30 -13.073 4.477 16.705 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.536 3.896 15.566 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.837 3.692 17.555 1.00 0.00 C ATOM 448 CE1 PHE A 30 -12.753 2.561 15.282 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.057 2.357 17.276 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.516 1.791 16.138 1.00 0.00 C ATOM 0 H PHE A 30 -12.661 5.670 19.563 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.735 5.745 17.370 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.715 6.325 17.531 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.774 6.479 16.061 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.941 4.494 14.892 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.265 4.129 18.445 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.327 2.121 14.393 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.652 1.756 17.948 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.689 0.748 15.918 1.00 0.00 H new ATOM 460 N ALA A 31 -11.420 8.340 19.033 1.00 0.00 N ATOM 461 CA ALA A 31 -11.190 9.782 19.170 1.00 0.00 C ATOM 462 C ALA A 31 -9.756 10.144 18.840 1.00 0.00 C ATOM 463 O ALA A 31 -9.431 11.302 18.663 1.00 0.00 O ATOM 464 CB ALA A 31 -11.551 10.266 20.563 1.00 0.00 C ATOM 0 H ALA A 31 -11.648 7.864 19.906 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.841 10.284 18.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.370 11.338 20.634 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.604 10.062 20.757 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.939 9.745 21.299 1.00 0.00 H new ATOM 470 N GLN A 32 -8.901 9.145 18.783 1.00 0.00 N ATOM 471 CA GLN A 32 -7.522 9.349 18.410 1.00 0.00 C ATOM 472 C GLN A 32 -7.432 9.747 16.934 1.00 0.00 C ATOM 473 O GLN A 32 -6.487 10.407 16.510 1.00 0.00 O ATOM 474 CB GLN A 32 -6.727 8.081 18.652 1.00 0.00 C ATOM 475 CG GLN A 32 -5.245 8.252 18.411 1.00 0.00 C ATOM 476 CD GLN A 32 -4.465 7.060 18.863 1.00 0.00 C ATOM 477 OE1 GLN A 32 -4.216 6.129 18.098 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.083 7.072 20.115 1.00 0.00 N ATOM 0 H GLN A 32 -9.142 8.176 18.993 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.106 10.151 19.020 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.886 7.751 19.679 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.106 7.293 18.001 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.067 8.421 17.349 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.891 9.138 18.938 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.313 7.867 20.711 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.555 6.286 20.495 1.00 0.00 H new ATOM 487 N PHE A 33 -8.438 9.344 16.160 1.00 0.00 N ATOM 488 CA PHE A 33 -8.445 9.589 14.726 1.00 0.00 C ATOM 489 C PHE A 33 -9.499 10.632 14.315 1.00 0.00 C ATOM 490 O PHE A 33 -9.210 11.529 13.517 1.00 0.00 O ATOM 491 CB PHE A 33 -8.682 8.275 13.974 1.00 0.00 C ATOM 492 CG PHE A 33 -7.681 7.203 14.309 1.00 0.00 C ATOM 493 CD1 PHE A 33 -6.447 7.164 13.681 1.00 0.00 C ATOM 494 CD2 PHE A 33 -7.974 6.236 15.259 1.00 0.00 C ATOM 495 CE1 PHE A 33 -5.525 6.182 13.994 1.00 0.00 C ATOM 496 CE2 PHE A 33 -7.060 5.254 15.576 1.00 0.00 C ATOM 497 CZ PHE A 33 -5.833 5.225 14.942 1.00 0.00 C ATOM 0 H PHE A 33 -9.258 8.846 16.506 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.469 9.996 14.460 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.683 7.910 14.203 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.650 8.468 12.902 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.202 7.909 12.938 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.932 6.253 15.758 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.566 6.163 13.498 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.303 4.509 16.319 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.116 4.456 15.187 1.00 0.00 H new ATOM 507 N GLY A 34 -10.712 10.526 14.864 1.00 0.00 N ATOM 508 CA GLY A 34 -11.769 11.454 14.474 1.00 0.00 C ATOM 509 C GLY A 34 -12.888 11.564 15.497 1.00 0.00 C ATOM 510 O GLY A 34 -12.719 11.186 16.657 1.00 0.00 O ATOM 0 H GLY A 34 -10.979 9.829 15.559 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.335 12.441 14.315 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.189 11.134 13.521 1.00 0.00 H new ATOM 514 N GLU A 35 -14.028 12.089 15.057 1.00 0.00 N ATOM 515 CA GLU A 35 -15.194 12.301 15.921 1.00 0.00 C ATOM 516 C GLU A 35 -16.348 11.361 15.552 1.00 0.00 C ATOM 517 O GLU A 35 -16.640 11.155 14.376 1.00 0.00 O ATOM 518 CB GLU A 35 -15.682 13.768 15.835 1.00 0.00 C ATOM 519 CG GLU A 35 -14.999 14.631 14.757 1.00 0.00 C ATOM 520 CD GLU A 35 -15.275 14.174 13.326 1.00 0.00 C ATOM 521 OE1 GLU A 35 -16.347 14.498 12.782 1.00 0.00 O ATOM 522 OE2 GLU A 35 -14.399 13.507 12.736 1.00 0.00 O ATOM 0 H GLU A 35 -14.173 12.381 14.091 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.880 12.082 16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.756 13.765 15.647 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.529 14.241 16.805 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.332 15.663 14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.923 14.623 14.928 1.00 0.00 H new ATOM 529 N ILE A 36 -16.993 10.783 16.569 1.00 0.00 N ATOM 530 CA ILE A 36 -18.134 9.894 16.349 1.00 0.00 C ATOM 531 C ILE A 36 -19.279 10.287 17.294 1.00 0.00 C ATOM 532 O ILE A 36 -19.055 10.473 18.488 1.00 0.00 O ATOM 533 CB ILE A 36 -17.770 8.400 16.595 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.556 8.003 15.757 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.950 7.510 16.215 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.051 6.608 16.041 1.00 0.00 C ATOM 0 H ILE A 36 -16.745 10.915 17.549 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.436 10.002 15.307 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.535 8.271 17.652 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.815 8.078 14.701 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.751 8.715 15.939 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.689 6.466 16.389 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.815 7.774 16.823 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.189 7.653 15.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.188 6.398 15.409 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.760 6.533 17.089 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.840 5.886 15.831 1.00 0.00 H new ATOM 548 N LEU A 37 -20.496 10.405 16.742 1.00 0.00 N ATOM 549 CA LEU A 37 -21.703 10.796 17.512 1.00 0.00 C ATOM 550 C LEU A 37 -21.631 12.263 17.958 1.00 0.00 C ATOM 551 O LEU A 37 -20.681 12.970 17.638 1.00 0.00 O ATOM 552 CB LEU A 37 -21.942 9.880 18.731 1.00 0.00 C ATOM 553 CG LEU A 37 -22.235 8.408 18.419 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.092 7.530 18.888 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.534 7.973 19.076 1.00 0.00 C ATOM 0 H LEU A 37 -20.679 10.234 15.753 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.551 10.677 16.837 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.062 9.926 19.373 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.777 10.282 19.304 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.338 8.300 17.339 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.316 6.488 18.659 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.174 7.824 18.379 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.963 7.645 19.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.726 6.925 18.844 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.455 8.097 20.156 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.354 8.584 18.700 1.00 0.00 H new ATOM 567 N GLU A 38 -22.653 12.724 18.679 1.00 0.00 N ATOM 568 CA GLU A 38 -22.686 14.114 19.130 1.00 0.00 C ATOM 569 C GLU A 38 -22.341 14.273 20.607 1.00 0.00 C ATOM 570 O GLU A 38 -21.632 15.202 20.984 1.00 0.00 O ATOM 571 CB GLU A 38 -24.031 14.766 18.842 1.00 0.00 C ATOM 572 CG GLU A 38 -24.302 15.002 17.373 1.00 0.00 C ATOM 573 CD GLU A 38 -25.478 15.920 17.151 1.00 0.00 C ATOM 574 OE1 GLU A 38 -25.375 17.110 17.518 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.505 15.469 16.598 1.00 0.00 O ATOM 0 H GLU A 38 -23.458 12.164 18.960 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.912 14.624 18.556 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.822 14.137 19.250 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.080 15.720 19.367 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -23.415 15.431 16.906 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.491 14.047 16.882 1.00 0.00 H new ATOM 582 N ASP A 39 -22.849 13.387 21.443 1.00 0.00 N ATOM 583 CA ASP A 39 -22.590 13.483 22.879 1.00 0.00 C ATOM 584 C ASP A 39 -21.204 12.954 23.197 1.00 0.00 C ATOM 585 O ASP A 39 -21.005 11.757 23.351 1.00 0.00 O ATOM 586 CB ASP A 39 -23.652 12.730 23.679 1.00 0.00 C ATOM 587 CG ASP A 39 -23.464 12.885 25.172 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.557 14.021 25.672 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.228 11.872 25.854 1.00 0.00 O ATOM 0 H ASP A 39 -23.436 12.601 21.164 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.638 14.533 23.167 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.640 13.095 23.400 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -23.617 11.672 23.419 1.00 0.00 H new ATOM 594 N LEU A 40 -20.256 13.866 23.292 1.00 0.00 N ATOM 595 CA LEU A 40 -18.861 13.517 23.471 1.00 0.00 C ATOM 596 C LEU A 40 -18.432 13.677 24.932 1.00 0.00 C ATOM 597 O LEU A 40 -18.798 12.857 25.776 1.00 0.00 O ATOM 598 CB LEU A 40 -17.987 14.381 22.539 1.00 0.00 C ATOM 599 CG LEU A 40 -18.352 14.334 21.050 1.00 0.00 C ATOM 600 CD1 LEU A 40 -17.450 15.255 20.247 1.00 0.00 C ATOM 601 CD2 LEU A 40 -18.278 12.913 20.519 1.00 0.00 C ATOM 0 H LEU A 40 -20.432 14.870 23.247 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.727 12.468 23.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.044 15.416 22.875 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -16.949 14.066 22.650 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.379 14.682 20.942 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.726 15.207 19.194 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.563 16.278 20.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.413 14.942 20.365 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -18.541 12.906 19.461 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.265 12.530 20.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.975 12.282 21.071 1.00 0.00 H new ATOM 1035 N SER A 67 -19.470 18.319 12.900 1.00 0.00 N ATOM 1036 CA SER A 67 -20.008 19.083 11.785 1.00 0.00 C ATOM 1037 C SER A 67 -20.107 18.184 10.558 1.00 0.00 C ATOM 1038 O SER A 67 -19.884 18.610 9.420 1.00 0.00 O ATOM 1039 CB SER A 67 -19.105 20.290 11.505 1.00 0.00 C ATOM 1040 OG SER A 67 -19.755 21.254 10.687 1.00 0.00 O ATOM 0 HA SER A 67 -21.005 19.448 12.032 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.811 20.751 12.448 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.191 19.955 11.016 1.00 0.00 H new ATOM 0 HG SER A 67 -20.086 20.822 9.872 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.460 16.952 10.805 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.555 15.946 9.777 1.00 0.00 C ATOM 1048 C ARG A 68 -21.965 15.352 9.798 1.00 0.00 C ATOM 1049 O ARG A 68 -22.631 15.402 10.825 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.512 14.869 10.056 1.00 0.00 C ATOM 1051 CG ARG A 68 -19.021 14.136 8.837 1.00 0.00 C ATOM 1052 CD ARG A 68 -18.001 13.072 9.216 1.00 0.00 C ATOM 1053 NE ARG A 68 -16.857 13.613 9.969 1.00 0.00 N ATOM 1054 CZ ARG A 68 -15.752 14.112 9.417 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -15.684 14.319 8.107 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -14.724 14.438 10.182 1.00 0.00 N ATOM 0 H ARG A 68 -20.693 16.612 11.738 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.369 16.375 8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.659 15.330 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.935 14.145 10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.863 13.672 8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -18.573 14.843 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.491 12.303 9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -17.636 12.587 8.310 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.915 13.605 10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.483 14.096 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.833 14.702 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.778 14.307 11.192 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.877 14.820 9.762 1.00 0.00 H new ATOM 1070 N GLU A 69 -22.425 14.817 8.675 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.776 14.262 8.601 1.00 0.00 C ATOM 1072 C GLU A 69 -23.860 12.911 9.313 1.00 0.00 C ATOM 1073 O GLU A 69 -22.944 12.084 9.224 1.00 0.00 O ATOM 1074 CB GLU A 69 -24.235 14.134 7.146 1.00 0.00 C ATOM 1075 CG GLU A 69 -23.473 13.095 6.346 1.00 0.00 C ATOM 1076 CD GLU A 69 -23.906 13.040 4.905 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -24.967 12.465 4.623 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -23.164 13.557 4.045 1.00 0.00 O ATOM 0 H GLU A 69 -21.891 14.754 7.808 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.446 14.953 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.295 13.882 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.130 15.102 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.407 13.316 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -23.615 12.115 6.802 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.955 12.699 10.024 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.167 11.473 10.777 1.00 0.00 C ATOM 1087 C HIS A 70 -26.646 11.236 11.018 1.00 0.00 C ATOM 1088 O HIS A 70 -27.450 12.166 10.944 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.433 11.542 12.128 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.829 12.719 12.981 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -24.159 13.921 12.959 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.840 12.880 13.873 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -24.733 14.764 13.789 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.753 14.160 14.356 1.00 0.00 N ATOM 0 H HIS A 70 -25.720 13.370 10.096 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.769 10.645 10.190 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.626 10.623 12.682 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.359 11.584 11.945 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.575 12.139 14.150 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -24.419 15.781 13.973 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.379 14.577 15.045 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.998 9.996 11.308 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.363 9.683 11.657 1.00 0.00 C ATOM 1104 C GLY A 71 -28.517 9.672 13.157 1.00 0.00 C ATOM 1105 O GLY A 71 -28.978 10.644 13.746 1.00 0.00 O ATOM 0 H GLY A 71 -26.361 9.199 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.038 10.418 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.639 8.712 11.247 1.00 0.00 H new ATOM 1109 N ARG A 72 -28.106 8.570 13.769 1.00 0.00 N ATOM 1110 CA ARG A 72 -28.083 8.425 15.224 1.00 0.00 C ATOM 1111 C ARG A 72 -27.446 7.121 15.606 1.00 0.00 C ATOM 1112 O ARG A 72 -26.622 7.063 16.507 1.00 0.00 O ATOM 1113 CB ARG A 72 -29.476 8.567 15.867 1.00 0.00 C ATOM 1114 CG ARG A 72 -30.495 7.510 15.459 1.00 0.00 C ATOM 1115 CD ARG A 72 -31.800 7.697 16.218 1.00 0.00 C ATOM 1116 NE ARG A 72 -31.610 7.520 17.665 1.00 0.00 N ATOM 1117 CZ ARG A 72 -32.202 6.580 18.411 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -33.069 5.723 17.869 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -31.923 6.508 19.703 1.00 0.00 N ATOM 0 H ARG A 72 -27.776 7.744 13.269 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.483 9.246 15.616 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -29.362 8.538 16.951 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -29.876 9.549 15.615 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -30.681 7.572 14.387 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -30.094 6.516 15.656 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -32.198 8.693 16.021 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.539 6.982 15.856 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.977 8.165 18.138 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -33.288 5.779 16.874 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -33.513 5.011 18.449 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.263 7.165 20.120 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.368 5.796 20.282 1.00 0.00 H new ATOM 1133 N THR A 73 -27.809 6.088 14.898 1.00 0.00 N ATOM 1134 CA THR A 73 -27.264 4.788 15.125 1.00 0.00 C ATOM 1135 C THR A 73 -26.117 4.525 14.160 1.00 0.00 C ATOM 1136 O THR A 73 -25.438 3.493 14.233 1.00 0.00 O ATOM 1137 CB THR A 73 -28.346 3.741 14.928 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.108 4.049 13.744 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.274 3.672 16.133 1.00 0.00 C ATOM 0 H THR A 73 -28.495 6.129 14.144 1.00 0.00 H new ATOM 0 HA THR A 73 -26.887 4.735 16.146 1.00 0.00 H new ATOM 0 HB THR A 73 -27.864 2.770 14.815 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.805 3.371 13.618 1.00 0.00 H new ATOM 0 HG21 THR A 73 -30.038 2.913 15.961 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.698 3.413 17.021 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.752 4.641 16.280 1.00 0.00 H new ATOM 1147 N TRP A 74 -25.923 5.461 13.244 1.00 0.00 N ATOM 1148 CA TRP A 74 -24.873 5.380 12.263 1.00 0.00 C ATOM 1149 C TRP A 74 -24.362 6.774 11.928 1.00 0.00 C ATOM 1150 O TRP A 74 -25.131 7.754 11.949 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.381 4.689 10.981 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.480 5.438 10.270 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.825 5.295 10.458 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.322 6.447 9.257 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.511 6.150 9.627 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.610 6.868 8.881 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.212 7.033 8.632 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -27.821 7.846 7.908 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.422 8.004 7.672 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.714 8.404 7.320 1.00 0.00 C ATOM 0 H TRP A 74 -26.498 6.300 13.167 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.058 4.789 12.680 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.543 4.558 10.296 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.742 3.693 11.237 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.283 4.611 11.157 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.526 6.236 9.574 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.210 6.730 8.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -28.818 8.152 7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.573 8.462 7.185 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -26.844 9.169 6.569 1.00 0.00 H new ATOM 1171 N THR A 75 -23.083 6.875 11.652 1.00 0.00 N ATOM 1172 CA THR A 75 -22.504 8.112 11.192 1.00 0.00 C ATOM 1173 C THR A 75 -21.413 7.824 10.169 1.00 0.00 C ATOM 1174 O THR A 75 -20.746 6.782 10.232 1.00 0.00 O ATOM 1175 CB THR A 75 -21.961 9.019 12.348 1.00 0.00 C ATOM 1176 OG1 THR A 75 -21.594 10.303 11.832 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.757 8.410 13.038 1.00 0.00 C ATOM 0 H THR A 75 -22.419 6.106 11.740 1.00 0.00 H new ATOM 0 HA THR A 75 -23.307 8.681 10.724 1.00 0.00 H new ATOM 0 HB THR A 75 -22.763 9.115 13.080 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.257 10.865 12.561 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.417 9.076 13.831 1.00 0.00 H new ATOM 0 HG22 THR A 75 -21.032 7.446 13.466 1.00 0.00 H new ATOM 0 HG23 THR A 75 -19.955 8.270 12.314 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.260 8.715 9.219 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.253 8.564 8.191 1.00 0.00 C ATOM 1187 C LYS A 76 -18.926 9.125 8.675 1.00 0.00 C ATOM 1188 O LYS A 76 -18.838 10.287 9.037 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.712 9.268 6.906 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.693 9.261 5.771 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.285 9.837 4.489 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.707 11.289 4.655 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.305 11.835 3.409 1.00 0.00 N ATOM 0 H LYS A 76 -21.825 9.560 9.135 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.115 7.505 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.628 8.792 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -20.961 10.302 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.818 9.841 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.354 8.241 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.551 9.763 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.147 9.241 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.428 11.367 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.842 11.889 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.687 12.784 3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.575 11.894 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.072 11.210 3.089 1.00 0.00 H new ATOM 1207 N LEU A 77 -17.903 8.294 8.677 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.586 8.710 9.128 1.00 0.00 C ATOM 1209 C LEU A 77 -15.694 9.056 7.964 1.00 0.00 C ATOM 1210 O LEU A 77 -15.352 8.201 7.143 1.00 0.00 O ATOM 1211 CB LEU A 77 -15.917 7.632 9.993 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.244 7.655 11.492 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.810 8.976 12.111 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.718 7.410 11.734 1.00 0.00 C ATOM 0 H LEU A 77 -17.957 7.323 8.371 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.728 9.602 9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.197 6.656 9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.837 7.724 9.878 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.689 6.848 11.971 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.049 8.976 13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.735 9.103 11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.334 9.797 11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.919 7.432 12.805 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -18.302 8.186 11.239 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.996 6.435 11.333 1.00 0.00 H new ATOM 1226 N THR A 78 -15.332 10.312 7.885 1.00 0.00 N ATOM 1227 CA THR A 78 -14.451 10.782 6.854 1.00 0.00 C ATOM 1228 C THR A 78 -13.112 11.193 7.468 1.00 0.00 C ATOM 1229 O THR A 78 -12.966 12.306 7.972 1.00 0.00 O ATOM 1230 CB THR A 78 -15.083 11.976 6.117 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.428 11.635 5.746 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.286 12.333 4.869 1.00 0.00 C ATOM 0 H THR A 78 -15.641 11.035 8.535 1.00 0.00 H new ATOM 0 HA THR A 78 -14.284 9.979 6.136 1.00 0.00 H new ATOM 0 HB THR A 78 -15.080 12.840 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.840 12.391 5.277 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.755 13.180 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.267 12.597 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.265 11.478 4.194 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.149 10.287 7.434 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.833 10.549 8.008 1.00 0.00 C ATOM 1242 C TYR A 79 -9.905 11.167 6.980 1.00 0.00 C ATOM 1243 O TYR A 79 -8.846 11.699 7.331 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.208 9.262 8.541 1.00 0.00 C ATOM 1245 CG TYR A 79 -10.978 8.600 9.657 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -10.874 9.056 10.963 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.806 7.513 9.406 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.570 8.449 11.988 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.502 6.901 10.428 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.381 7.373 11.716 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.073 6.763 12.737 1.00 0.00 O ATOM 0 H TYR A 79 -12.251 9.362 7.016 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.969 11.250 8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.109 8.555 7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.201 9.483 8.895 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.237 9.901 11.181 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.906 7.142 8.397 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.478 8.817 12.999 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.139 6.055 10.219 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.600 6.020 12.376 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.307 11.074 5.702 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.537 11.601 4.562 1.00 0.00 C ATOM 1263 C ALA A 80 -8.273 10.771 4.289 1.00 0.00 C ATOM 1264 O ALA A 80 -7.985 10.429 3.142 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.189 13.079 4.757 1.00 0.00 C ATOM 0 H ALA A 80 -11.182 10.628 5.428 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.177 11.519 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.621 13.436 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.107 13.659 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.591 13.196 5.661 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.535 10.447 5.339 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.313 9.669 5.204 1.00 0.00 C ATOM 1273 C ASN A 81 -6.629 8.204 5.055 1.00 0.00 C ATOM 1274 O ASN A 81 -7.496 7.665 5.751 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.389 9.874 6.401 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.905 11.295 6.524 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -3.903 11.682 5.915 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -5.605 12.084 7.303 1.00 0.00 N ATOM 0 H ASN A 81 -7.762 10.712 6.298 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.801 10.019 4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.915 9.593 7.313 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.531 9.208 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.328 13.058 7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.427 11.724 7.788 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.920 7.561 4.157 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.132 6.146 3.872 1.00 0.00 C ATOM 1287 C HIS A 82 -5.744 5.268 5.065 1.00 0.00 C ATOM 1288 O HIS A 82 -6.398 4.263 5.341 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.369 5.714 2.614 1.00 0.00 C ATOM 1290 CG HIS A 82 -5.720 4.327 2.147 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -6.878 4.043 1.451 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.073 3.145 2.288 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -6.927 2.751 1.187 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -5.845 2.184 1.683 1.00 0.00 N ATOM 0 H HIS A 82 -5.182 7.994 3.602 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.198 6.010 3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.576 6.422 1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.298 5.762 2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.126 2.988 2.784 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.719 2.244 0.655 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.618 1.191 1.626 1.00 0.00 H new ATOM 1302 N SER A 83 -4.676 5.640 5.756 1.00 0.00 N ATOM 1303 CA SER A 83 -4.206 4.876 6.901 1.00 0.00 C ATOM 1304 C SER A 83 -5.268 4.810 8.006 1.00 0.00 C ATOM 1305 O SER A 83 -5.585 3.733 8.504 1.00 0.00 O ATOM 1306 CB SER A 83 -2.913 5.491 7.426 1.00 0.00 C ATOM 1307 OG SER A 83 -2.997 6.912 7.428 1.00 0.00 O ATOM 0 H SER A 83 -4.119 6.467 5.543 1.00 0.00 H new ATOM 0 HA SER A 83 -4.012 3.852 6.580 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.717 5.132 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.075 5.172 6.806 1.00 0.00 H new ATOM 0 HG SER A 83 -2.159 7.289 7.770 1.00 0.00 H new ATOM 1313 N SER A 84 -5.841 5.957 8.346 1.00 0.00 N ATOM 1314 CA SER A 84 -6.885 6.025 9.355 1.00 0.00 C ATOM 1315 C SER A 84 -8.172 5.355 8.859 1.00 0.00 C ATOM 1316 O SER A 84 -8.952 4.822 9.644 1.00 0.00 O ATOM 1317 CB SER A 84 -7.132 7.479 9.739 1.00 0.00 C ATOM 1318 OG SER A 84 -7.237 8.294 8.582 1.00 0.00 O ATOM 0 H SER A 84 -5.597 6.857 7.934 1.00 0.00 H new ATOM 0 HA SER A 84 -6.557 5.481 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.047 7.554 10.327 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.318 7.837 10.369 1.00 0.00 H new ATOM 0 HG SER A 84 -7.452 7.735 7.806 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.360 5.387 7.548 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.517 4.782 6.894 1.00 0.00 C ATOM 1326 C TYR A 85 -9.594 3.278 7.164 1.00 0.00 C ATOM 1327 O TYR A 85 -10.634 2.764 7.571 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.415 5.043 5.386 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.403 4.283 4.535 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.693 4.743 4.346 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.027 3.099 3.908 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.582 4.047 3.552 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.907 2.398 3.120 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.188 2.876 2.943 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.075 2.185 2.150 1.00 0.00 O ATOM 0 H TYR A 85 -7.711 5.836 6.901 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.425 5.230 7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.551 6.110 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.407 4.791 5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.009 5.658 4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.023 2.724 4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.585 4.420 3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.598 1.480 2.643 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.640 1.382 1.795 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.488 2.592 6.957 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.427 1.170 7.127 1.00 0.00 C ATOM 1347 C LEU A 86 -8.601 0.779 8.598 1.00 0.00 C ATOM 1348 O LEU A 86 -9.196 -0.254 8.914 1.00 0.00 O ATOM 1349 CB LEU A 86 -7.116 0.645 6.567 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.958 -0.857 6.595 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -8.056 -1.531 5.781 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.594 -1.263 6.081 1.00 0.00 C ATOM 0 H LEU A 86 -7.607 3.015 6.665 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.250 0.714 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.018 0.985 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.295 1.091 7.129 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.047 -1.186 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.923 -2.612 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.029 -1.272 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.003 -1.191 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.503 -2.349 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.474 -0.916 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.822 -0.817 6.707 1.00 0.00 H new ATOM 1364 N ARG A 87 -8.093 1.623 9.486 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.162 1.378 10.929 1.00 0.00 C ATOM 1366 C ARG A 87 -9.617 1.417 11.419 1.00 0.00 C ATOM 1367 O ARG A 87 -9.924 0.962 12.517 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.356 2.441 11.690 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.905 2.577 11.249 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.087 1.332 11.524 1.00 0.00 C ATOM 1371 NE ARG A 87 -3.730 1.456 10.986 1.00 0.00 N ATOM 1372 CZ ARG A 87 -2.861 0.446 10.869 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.181 -0.765 11.312 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.667 0.655 10.321 1.00 0.00 N ATOM 0 H ARG A 87 -7.623 2.493 9.234 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.743 0.390 11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.849 3.406 11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.377 2.201 12.753 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.874 2.798 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.452 3.424 11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.040 1.156 12.599 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.579 0.466 11.080 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.426 2.380 10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.091 -0.926 11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.516 -1.533 11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.414 1.586 9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.005 -0.116 10.232 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.492 1.990 10.609 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.896 2.130 10.960 1.00 0.00 C ATOM 1390 C ALA A 88 -12.756 0.970 10.443 1.00 0.00 C ATOM 1391 O ALA A 88 -13.907 0.831 10.848 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.436 3.451 10.443 1.00 0.00 C ATOM 0 H ALA A 88 -10.251 2.370 9.694 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.954 2.109 12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.488 3.544 10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.874 4.273 10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.334 3.486 9.358 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.196 0.143 9.554 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.966 -0.941 8.921 1.00 0.00 C ATOM 1400 C LEU A 89 -13.515 -1.931 9.964 1.00 0.00 C ATOM 1401 O LEU A 89 -14.697 -2.258 9.946 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.096 -1.683 7.898 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.811 -2.751 7.064 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.888 -2.121 6.202 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.821 -3.511 6.202 1.00 0.00 C ATOM 0 H LEU A 89 -11.222 0.199 9.256 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.816 -0.488 8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.661 -0.949 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.269 -2.156 8.428 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.283 -3.457 7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.385 -2.895 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.619 -1.623 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.436 -1.392 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.350 -4.264 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.318 -2.817 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.083 -3.998 6.839 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.637 -2.384 10.866 1.00 0.00 N ATOM 1418 CA ARG A 90 -13.008 -3.279 11.992 1.00 0.00 C ATOM 1419 C ARG A 90 -13.904 -4.449 11.566 1.00 0.00 C ATOM 1420 O ARG A 90 -14.750 -4.913 12.335 1.00 0.00 O ATOM 1421 CB ARG A 90 -13.679 -2.461 13.093 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.799 -1.339 13.597 1.00 0.00 C ATOM 1423 CD ARG A 90 -11.554 -1.884 14.266 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.553 -0.855 14.464 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.354 -1.070 14.991 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.050 -2.261 15.494 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -8.461 -0.091 15.012 1.00 0.00 N ATOM 0 H ARG A 90 -11.645 -2.146 10.845 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.087 -3.726 12.367 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.612 -2.045 12.714 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.937 -3.118 13.924 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.516 -0.693 12.766 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.356 -0.724 14.304 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.821 -2.321 15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.136 -2.685 13.657 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.785 0.097 14.180 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.739 -3.013 15.476 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.128 -2.424 15.898 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.697 0.823 14.624 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.538 -0.251 15.416 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.687 -4.951 10.373 1.00 0.00 N ATOM 1442 CA GLU A 91 -14.492 -6.039 9.854 1.00 0.00 C ATOM 1443 C GLU A 91 -13.840 -7.388 10.194 1.00 0.00 C ATOM 1444 O GLU A 91 -13.437 -8.145 9.306 1.00 0.00 O ATOM 1445 CB GLU A 91 -14.642 -5.890 8.333 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.600 -6.878 7.687 1.00 0.00 C ATOM 1447 CD GLU A 91 -15.515 -6.848 6.178 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -14.637 -7.546 5.620 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -16.316 -6.135 5.537 1.00 0.00 O ATOM 0 H GLU A 91 -12.958 -4.624 9.739 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.479 -6.005 10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.983 -4.878 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.661 -6.003 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.377 -7.884 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.620 -6.649 7.997 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.712 -7.667 11.482 1.00 0.00 N ATOM 1457 CA HIS A 92 -13.118 -8.923 11.936 1.00 0.00 C ATOM 1458 C HIS A 92 -13.349 -9.132 13.429 1.00 0.00 C ATOM 1459 O HIS A 92 -12.572 -8.644 14.259 1.00 0.00 O ATOM 1460 CB HIS A 92 -11.610 -8.958 11.616 1.00 0.00 C ATOM 1461 CG HIS A 92 -10.926 -10.243 11.990 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -10.177 -10.387 13.138 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -10.874 -11.437 11.358 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -9.695 -11.615 13.195 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -10.104 -12.270 12.129 1.00 0.00 N ATOM 0 H HIS A 92 -14.010 -7.044 12.233 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.607 -9.737 11.400 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.473 -8.785 10.549 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.121 -8.135 12.137 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.350 -11.688 10.421 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.072 -12.014 13.982 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.884 -13.242 11.911 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.449 -9.814 13.763 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.762 -10.147 15.155 1.00 0.00 C ATOM 1475 C GLY A 93 -14.696 -8.961 16.097 1.00 0.00 C ATOM 1476 O GLY A 93 -14.270 -9.097 17.243 1.00 0.00 O ATOM 0 H GLY A 93 -15.137 -10.146 13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.762 -10.579 15.200 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.068 -10.913 15.501 1.00 0.00 H new ATOM 1480 N THR A 94 -15.102 -7.806 15.625 1.00 0.00 N ATOM 1481 CA THR A 94 -15.059 -6.620 16.438 1.00 0.00 C ATOM 1482 C THR A 94 -16.417 -6.363 17.080 1.00 0.00 C ATOM 1483 O THR A 94 -17.248 -5.629 16.545 1.00 0.00 O ATOM 1484 CB THR A 94 -14.609 -5.402 15.607 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.374 -5.717 14.943 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.402 -4.180 16.493 1.00 0.00 C ATOM 0 H THR A 94 -15.465 -7.665 14.682 1.00 0.00 H new ATOM 0 HA THR A 94 -14.328 -6.776 17.231 1.00 0.00 H new ATOM 0 HB THR A 94 -15.387 -5.173 14.879 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.470 -5.557 13.981 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.085 -3.336 15.880 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.337 -3.933 16.996 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.636 -4.396 17.238 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.640 -7.005 18.215 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.879 -6.864 18.946 1.00 0.00 C ATOM 1496 C ILE A 95 -17.682 -5.891 20.087 1.00 0.00 C ATOM 1497 O ILE A 95 -16.825 -6.098 20.953 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.362 -8.228 19.506 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.565 -9.228 18.361 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.650 -8.060 20.306 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.869 -10.637 18.821 1.00 0.00 C ATOM 0 H ILE A 95 -15.967 -7.635 18.651 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.639 -6.489 18.261 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.596 -8.616 20.177 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.381 -8.879 17.728 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.667 -9.244 17.743 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.970 -9.029 20.689 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -19.474 -7.381 21.140 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.428 -7.650 19.662 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.999 -11.283 17.953 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -18.043 -11.007 19.429 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.784 -10.637 19.413 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.454 -4.825 20.088 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.328 -3.825 21.111 1.00 0.00 C ATOM 1515 C TYR A 96 -19.607 -3.752 21.926 1.00 0.00 C ATOM 1516 O TYR A 96 -20.697 -3.549 21.375 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.007 -2.463 20.490 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.342 -1.511 21.451 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -15.963 -1.516 21.598 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.081 -0.616 22.214 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.335 -0.663 22.476 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -17.459 0.248 23.097 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.081 0.217 23.223 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.449 1.068 24.102 1.00 0.00 O ATOM 0 H TYR A 96 -19.173 -4.634 19.390 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.507 -4.100 21.773 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.358 -2.609 19.627 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.929 -2.012 20.123 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.371 -2.203 21.012 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.156 -0.594 22.116 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.260 -0.685 22.578 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.044 0.941 23.683 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.552 1.277 23.767 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.468 -3.945 23.237 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.582 -3.901 24.193 1.00 0.00 C ATOM 1536 C CYS A 97 -21.528 -5.101 24.046 1.00 0.00 C ATOM 1537 O CYS A 97 -21.812 -5.797 25.021 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.364 -2.580 24.086 1.00 0.00 C ATOM 1539 SG CYS A 97 -22.697 -2.405 25.297 1.00 0.00 S ATOM 0 H CYS A 97 -18.567 -4.139 23.674 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.137 -3.958 25.186 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -20.669 -1.749 24.205 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.786 -2.501 23.084 1.00 0.00 H new ATOM 0 HG CYS A 97 -23.292 -1.262 25.126 1.00 0.00 H new ATOM 1545 N GLY A 98 -22.007 -5.341 22.838 1.00 0.00 N ATOM 1546 CA GLY A 98 -22.927 -6.435 22.625 1.00 0.00 C ATOM 1547 C GLY A 98 -23.019 -6.876 21.179 1.00 0.00 C ATOM 1548 O GLY A 98 -23.356 -8.024 20.905 1.00 0.00 O ATOM 0 H GLY A 98 -21.777 -4.801 22.004 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -22.618 -7.283 23.236 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.918 -6.138 22.970 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.717 -5.981 20.250 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.810 -6.303 18.836 1.00 0.00 C ATOM 1554 C ALA A 99 -21.586 -5.818 18.077 1.00 0.00 C ATOM 1555 O ALA A 99 -20.880 -4.909 18.530 1.00 0.00 O ATOM 1556 CB ALA A 99 -24.075 -5.701 18.237 1.00 0.00 C ATOM 0 H ALA A 99 -22.407 -5.030 20.450 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.855 -7.388 18.743 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.130 -5.951 17.177 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.948 -6.103 18.751 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -24.053 -4.617 18.354 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.314 -6.452 16.946 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.210 -6.054 16.093 1.00 0.00 C ATOM 1564 C ALA A 100 -20.546 -4.767 15.371 1.00 0.00 C ATOM 1565 O ALA A 100 -21.690 -4.557 14.957 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.873 -7.156 15.087 1.00 0.00 C ATOM 0 H ALA A 100 -21.848 -7.249 16.598 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.334 -5.888 16.721 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.042 -6.834 14.459 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.593 -8.064 15.622 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.743 -7.357 14.462 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.567 -3.905 15.235 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.766 -2.668 14.525 1.00 0.00 C ATOM 1574 C ILE A 101 -19.462 -2.863 13.049 1.00 0.00 C ATOM 1575 O ILE A 101 -18.421 -3.415 12.681 1.00 0.00 O ATOM 1576 CB ILE A 101 -18.919 -1.505 15.118 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.420 -1.851 15.123 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.401 -1.166 16.525 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.534 -0.708 15.582 1.00 0.00 C ATOM 0 H ILE A 101 -18.627 -4.038 15.607 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.812 -2.384 14.640 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.052 -0.630 14.482 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.256 -2.710 15.773 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.121 -2.150 14.118 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -18.800 -0.351 16.929 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.447 -0.862 16.488 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.300 -2.042 17.165 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.491 -1.024 15.560 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.668 0.146 14.918 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.805 -0.423 16.599 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.385 -2.447 12.209 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.221 -2.629 10.794 1.00 0.00 C ATOM 1593 C GLY A 102 -19.745 -1.381 10.111 1.00 0.00 C ATOM 1594 O GLY A 102 -20.368 -0.323 10.235 1.00 0.00 O ATOM 0 H GLY A 102 -21.251 -1.983 12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.508 -3.434 10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.170 -2.940 10.357 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.640 -1.492 9.406 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.087 -0.376 8.679 1.00 0.00 C ATOM 1600 C CYS A 103 -17.836 -0.764 7.227 1.00 0.00 C ATOM 1601 O CYS A 103 -17.085 -1.700 6.941 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.782 0.085 9.324 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.900 0.412 11.098 1.00 0.00 S ATOM 0 H CYS A 103 -18.104 -2.355 9.322 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.805 0.444 8.709 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.020 -0.676 9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.443 0.991 8.822 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.719 0.686 11.568 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.481 -0.063 6.320 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.310 -0.298 4.894 1.00 0.00 C ATOM 1611 C VAL A 104 -18.111 1.025 4.179 1.00 0.00 C ATOM 1612 O VAL A 104 -18.485 2.077 4.713 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.537 -1.019 4.266 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.687 -2.429 4.804 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.805 -0.219 4.497 1.00 0.00 C ATOM 0 H VAL A 104 -19.138 0.685 6.544 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.437 -0.940 4.776 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.365 -1.091 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.554 -2.904 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.791 -3.005 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.824 -2.393 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.651 -0.741 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.974 -0.105 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.703 0.765 4.039 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.511 1.008 2.974 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.334 2.217 2.176 1.00 0.00 C ATOM 1627 C PRO A 105 -18.681 2.832 1.824 1.00 0.00 C ATOM 1628 O PRO A 105 -19.673 2.114 1.656 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.615 1.727 0.908 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.039 0.402 1.278 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.958 -0.182 2.306 1.00 0.00 C ATOM 0 HA PRO A 105 -16.774 2.989 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.308 1.636 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.835 2.425 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -15.967 -0.248 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.031 0.514 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.740 -0.788 1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.424 -0.825 3.005 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.718 4.151 1.728 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.954 4.868 1.447 1.00 0.00 C ATOM 1641 C TYR A 106 -20.600 4.387 0.152 1.00 0.00 C ATOM 1642 O TYR A 106 -19.986 4.418 -0.917 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.679 6.374 1.358 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.921 7.219 1.143 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.388 7.508 -0.138 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.624 7.727 2.221 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.520 8.280 -0.328 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.751 8.501 2.041 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.198 8.772 0.768 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.320 9.544 0.588 1.00 0.00 O ATOM 0 H TYR A 106 -17.901 4.751 1.841 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.646 4.668 2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.187 6.697 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.982 6.557 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.857 7.123 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.283 7.513 3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.870 8.496 -1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.281 8.893 2.896 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.678 9.809 1.461 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.845 3.951 0.265 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.619 3.494 -0.871 1.00 0.00 C ATOM 1662 C LYS A 107 -24.032 4.058 -0.827 1.00 0.00 C ATOM 1663 O LYS A 107 -24.561 4.347 0.252 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.631 1.962 -0.961 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.305 1.370 -1.418 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.387 -0.133 -1.584 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.094 -0.696 -2.157 1.00 0.00 C ATOM 1668 NZ LYS A 107 -19.801 -0.147 -3.514 1.00 0.00 N ATOM 0 H LYS A 107 -22.346 3.905 1.152 1.00 0.00 H new ATOM 0 HA LYS A 107 -22.138 3.868 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.886 1.551 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.415 1.653 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.011 1.825 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.529 1.614 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -21.593 -0.597 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.219 -0.384 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.268 -0.464 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.164 -1.782 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.095 -0.747 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.675 -0.131 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.429 0.820 -3.424 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.635 4.218 -1.999 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.965 4.821 -2.124 1.00 0.00 C ATOM 1684 C HIS A 108 -27.022 3.967 -1.451 1.00 0.00 C ATOM 1685 O HIS A 108 -27.845 4.468 -0.674 1.00 0.00 O ATOM 1686 CB HIS A 108 -26.342 4.976 -3.597 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.396 5.803 -4.390 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -24.365 5.257 -5.118 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -25.319 7.137 -4.579 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -23.694 6.213 -5.718 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -24.252 7.366 -5.410 1.00 0.00 N ATOM 0 H HIS A 108 -24.222 3.936 -2.888 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.925 5.796 -1.639 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -26.407 3.986 -4.049 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -27.335 5.421 -3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.974 7.884 -4.156 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -22.832 6.077 -6.355 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -23.941 8.281 -5.737 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.993 2.676 -1.747 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.970 1.749 -1.207 1.00 0.00 C ATOM 1701 C GLU A 109 -27.792 1.619 0.299 1.00 0.00 C ATOM 1702 O GLU A 109 -28.759 1.516 1.032 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.843 0.377 -1.884 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.987 -0.584 -1.575 1.00 0.00 C ATOM 1705 CD GLU A 109 -30.301 -0.159 -2.210 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -30.444 -0.306 -3.442 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -31.205 0.313 -1.485 1.00 0.00 O ATOM 0 H GLU A 109 -26.300 2.248 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.968 2.138 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.787 0.521 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.904 -0.082 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.724 -1.581 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.116 -0.653 -0.495 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.541 1.687 0.745 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.203 1.536 2.161 1.00 0.00 C ATOM 1716 C LEU A 110 -26.926 2.605 2.986 1.00 0.00 C ATOM 1717 O LEU A 110 -27.568 2.300 3.990 1.00 0.00 O ATOM 1718 CB LEU A 110 -24.664 1.666 2.321 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.043 1.293 3.687 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -24.421 2.274 4.785 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -24.422 -0.120 4.070 1.00 0.00 C ATOM 0 H LEU A 110 -25.735 1.847 0.141 1.00 0.00 H new ATOM 0 HA LEU A 110 -26.522 0.558 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.195 1.043 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.391 2.698 2.101 1.00 0.00 H new ATOM 0 HG LEU A 110 -22.960 1.350 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -23.959 1.966 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -24.071 3.271 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.505 2.289 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.977 -0.367 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -25.507 -0.199 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -24.056 -0.813 3.313 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.853 3.846 2.534 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.513 4.948 3.221 1.00 0.00 C ATOM 1735 C ILE A 111 -29.025 4.768 3.180 1.00 0.00 C ATOM 1736 O ILE A 111 -29.721 4.969 4.178 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.133 6.313 2.600 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.609 6.479 2.576 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.789 7.461 3.365 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.963 6.447 3.949 1.00 0.00 C ATOM 0 H ILE A 111 -26.343 4.118 1.693 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.175 4.939 4.257 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.502 6.339 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.177 5.687 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.364 7.425 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.507 8.410 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.873 7.350 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.456 7.444 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.885 6.571 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.365 7.256 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.175 5.491 4.429 1.00 0.00 H new ATOM 1752 N SER A 112 -29.515 4.380 2.022 1.00 0.00 N ATOM 1753 CA SER A 112 -30.934 4.169 1.808 1.00 0.00 C ATOM 1754 C SER A 112 -31.488 3.059 2.726 1.00 0.00 C ATOM 1755 O SER A 112 -32.585 3.185 3.276 1.00 0.00 O ATOM 1756 CB SER A 112 -31.181 3.825 0.343 1.00 0.00 C ATOM 1757 OG SER A 112 -30.602 4.809 -0.510 1.00 0.00 O ATOM 0 H SER A 112 -28.940 4.201 1.199 1.00 0.00 H new ATOM 0 HA SER A 112 -31.461 5.090 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.757 2.846 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.253 3.759 0.155 1.00 0.00 H new ATOM 0 HG SER A 112 -29.639 4.645 -0.592 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.720 1.987 2.890 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.134 0.866 3.727 1.00 0.00 C ATOM 1765 C GLU A 113 -31.207 1.269 5.198 1.00 0.00 C ATOM 1766 O GLU A 113 -32.138 0.904 5.904 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.184 -0.313 3.547 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.180 -0.868 2.134 1.00 0.00 C ATOM 1769 CD GLU A 113 -29.239 -2.033 1.961 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -28.086 -1.948 2.415 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.658 -3.058 1.376 1.00 0.00 O ATOM 0 H GLU A 113 -29.806 1.871 2.453 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.133 0.565 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -29.174 -0.000 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.464 -1.106 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -31.190 -1.182 1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.900 -0.076 1.439 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.222 2.013 5.656 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.203 2.497 7.025 1.00 0.00 C ATOM 1780 C LEU A 114 -31.361 3.466 7.297 1.00 0.00 C ATOM 1781 O LEU A 114 -31.971 3.441 8.367 1.00 0.00 O ATOM 1782 CB LEU A 114 -28.862 3.163 7.334 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.705 2.227 7.731 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.859 1.766 9.170 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -27.610 1.017 6.807 1.00 0.00 C ATOM 0 H LEU A 114 -29.418 2.299 5.098 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.331 1.638 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.554 3.733 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.015 3.878 8.142 1.00 0.00 H new ATOM 0 HG LEU A 114 -26.782 2.798 7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -27.032 1.106 9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -27.855 2.632 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -28.801 1.229 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -26.781 0.383 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.539 0.449 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -27.441 1.353 5.784 1.00 0.00 H new ATOM 1797 N SER A 115 -31.667 4.302 6.321 1.00 0.00 N ATOM 1798 CA SER A 115 -32.694 5.312 6.476 1.00 0.00 C ATOM 1799 C SER A 115 -34.123 4.758 6.324 1.00 0.00 C ATOM 1800 O SER A 115 -35.089 5.478 6.574 1.00 0.00 O ATOM 1801 CB SER A 115 -32.446 6.464 5.501 1.00 0.00 C ATOM 1802 OG SER A 115 -32.290 5.989 4.176 1.00 0.00 O ATOM 0 H SER A 115 -31.214 4.299 5.407 1.00 0.00 H new ATOM 0 HA SER A 115 -32.625 5.681 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.279 7.165 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.553 7.012 5.801 1.00 0.00 H new ATOM 0 HG SER A 115 -31.371 5.675 4.047 1.00 0.00 H new