USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 34 SER OG : rot -66:sc= -0.0179 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.629 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 19 ASN : amide:sc= -0.0744 X(o=-0.074,f=-0.35) USER MOD Single : A 22 GLN : amide:sc= -0.721 K(o=-0.72,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 122:sc= 1.06 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0.352 (180deg=0.322) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.003) USER MOD Single : A 46 HIS : no HE2:sc= -0.471 X(o=-0.47,f=-0.87) USER MOD Single : A 48 HIS : no HD1:sc=-0.00255 K(o=-0.0026,f=-1.1) USER MOD Single : A 98 SER OG : rot 180:sc= -0.018 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -25:sc= -0.622 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 66:sc= 0.722 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.00016) USER MOD ----------------------------------------------------------------- ATOM 181 N VAL A 14 -13.662 4.308 -12.747 1.00 0.00 N ATOM 182 CA VAL A 14 -12.520 5.178 -13.000 1.00 0.00 C ATOM 183 C VAL A 14 -12.117 5.143 -14.469 1.00 0.00 C ATOM 184 O VAL A 14 -11.366 5.998 -14.937 1.00 0.00 O ATOM 185 CB VAL A 14 -11.309 4.778 -12.136 1.00 0.00 C ATOM 186 CG1 VAL A 14 -10.852 3.368 -12.477 1.00 0.00 C ATOM 187 CG2 VAL A 14 -10.174 5.775 -12.316 1.00 0.00 C ATOM 0 HA VAL A 14 -12.827 6.190 -12.736 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.611 4.792 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.996 3.103 -11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.666 2.667 -12.291 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.567 3.322 -13.528 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.327 5.477 -11.698 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.871 5.796 -13.363 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.510 6.767 -12.016 1.00 0.00 H new ATOM 197 N GLN A 15 -12.622 4.148 -15.192 1.00 0.00 N ATOM 198 CA GLN A 15 -12.313 4.001 -16.609 1.00 0.00 C ATOM 199 C GLN A 15 -13.415 4.604 -17.472 1.00 0.00 C ATOM 200 O GLN A 15 -13.149 5.195 -18.519 1.00 0.00 O ATOM 201 CB GLN A 15 -12.122 2.526 -16.963 1.00 0.00 C ATOM 202 CG GLN A 15 -11.549 2.300 -18.351 1.00 0.00 C ATOM 203 CD GLN A 15 -10.164 1.687 -18.319 1.00 0.00 C ATOM 204 OE1 GLN A 15 -9.955 0.630 -17.721 1.00 0.00 O ATOM 205 NE2 GLN A 15 -9.208 2.348 -18.961 1.00 0.00 N ATOM 0 H GLN A 15 -13.246 3.432 -14.820 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.385 4.537 -16.809 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.461 2.068 -16.228 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.083 2.016 -16.889 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.217 1.648 -18.914 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.509 3.251 -18.882 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.426 3.220 -19.443 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.255 1.984 -18.972 1.00 0.00 H new ATOM 214 N GLY A 16 -14.661 4.453 -17.024 1.00 0.00 N ATOM 215 CA GLY A 16 -15.785 4.988 -17.769 1.00 0.00 C ATOM 216 C GLY A 16 -16.031 6.454 -17.473 1.00 0.00 C ATOM 217 O GLY A 16 -16.537 7.188 -18.322 1.00 0.00 O ATOM 0 H GLY A 16 -14.909 3.971 -16.160 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -15.603 4.861 -18.836 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.681 4.416 -17.529 1.00 0.00 H new ATOM 221 N ILE A 17 -15.675 6.881 -16.267 1.00 0.00 N ATOM 222 CA ILE A 17 -15.861 8.269 -15.862 1.00 0.00 C ATOM 223 C ILE A 17 -14.692 9.136 -16.320 1.00 0.00 C ATOM 224 O ILE A 17 -14.858 10.325 -16.593 1.00 0.00 O ATOM 225 CB ILE A 17 -16.013 8.396 -14.335 1.00 0.00 C ATOM 226 CG1 ILE A 17 -17.256 7.640 -13.860 1.00 0.00 C ATOM 227 CG2 ILE A 17 -16.089 9.859 -13.928 1.00 0.00 C ATOM 228 CD1 ILE A 17 -17.412 7.620 -12.355 1.00 0.00 C ATOM 0 H ILE A 17 -15.256 6.286 -15.553 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.777 8.616 -16.339 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.137 7.953 -13.860 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -18.141 8.097 -14.303 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -17.210 6.614 -14.226 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.196 9.930 -12.846 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.177 10.370 -14.237 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.948 10.326 -14.409 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -18.314 7.068 -12.090 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.545 7.136 -11.906 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.490 8.642 -11.984 1.00 0.00 H new ATOM 240 N ILE A 18 -13.511 8.533 -16.399 1.00 0.00 N ATOM 241 CA ILE A 18 -12.315 9.249 -16.825 1.00 0.00 C ATOM 242 C ILE A 18 -12.442 9.722 -18.269 1.00 0.00 C ATOM 243 O ILE A 18 -11.935 10.779 -18.634 1.00 0.00 O ATOM 244 CB ILE A 18 -11.056 8.371 -16.694 1.00 0.00 C ATOM 245 CG1 ILE A 18 -10.381 8.611 -15.341 1.00 0.00 C ATOM 246 CG2 ILE A 18 -10.089 8.657 -17.833 1.00 0.00 C ATOM 247 CD1 ILE A 18 -9.813 10.003 -15.188 1.00 0.00 C ATOM 0 H ILE A 18 -13.357 7.550 -16.174 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.215 10.114 -16.169 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.353 7.324 -16.751 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.105 8.434 -14.546 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.580 7.884 -15.210 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.205 8.029 -17.726 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.574 8.442 -18.785 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.794 9.706 -17.805 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.350 10.101 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.064 10.177 -15.961 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.614 10.736 -15.287 1.00 0.00 H new ATOM 259 N ASN A 19 -13.127 8.928 -19.088 1.00 0.00 N ATOM 260 CA ASN A 19 -13.323 9.264 -20.494 1.00 0.00 C ATOM 261 C ASN A 19 -14.641 10.007 -20.696 1.00 0.00 C ATOM 262 O ASN A 19 -14.811 10.736 -21.673 1.00 0.00 O ATOM 263 CB ASN A 19 -13.301 7.997 -21.351 1.00 0.00 C ATOM 264 CG ASN A 19 -12.018 7.862 -22.146 1.00 0.00 C ATOM 265 OD1 ASN A 19 -11.546 8.824 -22.754 1.00 0.00 O ATOM 266 ND2 ASN A 19 -11.447 6.663 -22.147 1.00 0.00 N ATOM 0 H ASN A 19 -13.555 8.048 -18.801 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.507 9.917 -20.804 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.421 7.125 -20.709 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.150 8.009 -22.035 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.582 6.510 -22.666 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.873 5.895 -21.629 1.00 0.00 H new ATOM 273 N PHE A 20 -15.572 9.816 -19.765 1.00 0.00 N ATOM 274 CA PHE A 20 -16.874 10.466 -19.841 1.00 0.00 C ATOM 275 C PHE A 20 -16.806 11.886 -19.288 1.00 0.00 C ATOM 276 O PHE A 20 -17.486 12.787 -19.780 1.00 0.00 O ATOM 277 CB PHE A 20 -17.917 9.655 -19.069 1.00 0.00 C ATOM 278 CG PHE A 20 -18.565 8.576 -19.888 1.00 0.00 C ATOM 279 CD1 PHE A 20 -17.828 7.851 -20.809 1.00 0.00 C ATOM 280 CD2 PHE A 20 -19.913 8.289 -19.740 1.00 0.00 C ATOM 281 CE1 PHE A 20 -18.420 6.856 -21.566 1.00 0.00 C ATOM 282 CE2 PHE A 20 -20.511 7.296 -20.492 1.00 0.00 C ATOM 283 CZ PHE A 20 -19.763 6.579 -21.408 1.00 0.00 C ATOM 0 H PHE A 20 -15.447 9.216 -18.950 1.00 0.00 H new ATOM 0 HA PHE A 20 -17.167 10.518 -20.890 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -17.442 9.203 -18.198 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -18.688 10.330 -18.697 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -16.777 8.065 -20.938 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -20.503 8.848 -19.029 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -17.833 6.297 -22.279 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -21.561 7.080 -20.365 1.00 0.00 H new ATOM 0 HZ PHE A 20 -20.229 5.804 -21.999 1.00 0.00 H new ATOM 293 N GLU A 21 -15.981 12.076 -18.264 1.00 0.00 N ATOM 294 CA GLU A 21 -15.823 13.387 -17.644 1.00 0.00 C ATOM 295 C GLU A 21 -14.789 14.224 -18.390 1.00 0.00 C ATOM 296 O GLU A 21 -14.675 15.429 -18.171 1.00 0.00 O ATOM 297 CB GLU A 21 -15.413 13.237 -16.176 1.00 0.00 C ATOM 298 CG GLU A 21 -15.251 14.563 -15.451 1.00 0.00 C ATOM 299 CD GLU A 21 -15.928 14.570 -14.095 1.00 0.00 C ATOM 300 OE1 GLU A 21 -15.614 13.689 -13.268 1.00 0.00 O ATOM 301 OE2 GLU A 21 -16.773 15.459 -13.861 1.00 0.00 O1- ATOM 0 H GLU A 21 -15.412 11.340 -17.846 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.783 13.901 -17.695 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.162 12.638 -15.658 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.473 12.687 -16.124 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.190 14.777 -15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.666 15.362 -16.065 1.00 0.00 H new ATOM 308 N GLN A 22 -14.037 13.574 -19.272 1.00 0.00 N ATOM 309 CA GLN A 22 -13.010 14.256 -20.050 1.00 0.00 C ATOM 310 C GLN A 22 -13.521 14.594 -21.447 1.00 0.00 C ATOM 311 O GLN A 22 -13.247 15.672 -21.976 1.00 0.00 O ATOM 312 CB GLN A 22 -11.754 13.387 -20.150 1.00 0.00 C ATOM 313 CG GLN A 22 -10.867 13.459 -18.918 1.00 0.00 C ATOM 314 CD GLN A 22 -9.684 12.514 -18.998 1.00 0.00 C ATOM 315 OE1 GLN A 22 -9.305 12.064 -20.078 1.00 0.00 O ATOM 316 NE2 GLN A 22 -9.093 12.208 -17.848 1.00 0.00 N ATOM 0 H GLN A 22 -14.120 12.576 -19.466 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.760 15.186 -19.539 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.051 12.351 -20.314 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.177 13.695 -21.022 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.505 14.480 -18.794 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.459 13.221 -18.034 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.440 12.604 -16.975 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.292 11.577 -17.838 1.00 0.00 H new ATOM 325 N LYS A 23 -14.264 13.667 -22.041 1.00 0.00 N ATOM 326 CA LYS A 23 -14.815 13.867 -23.376 1.00 0.00 C ATOM 327 C LYS A 23 -15.929 14.911 -23.356 1.00 0.00 C ATOM 328 O LYS A 23 -16.050 15.717 -24.275 1.00 0.00 O ATOM 329 CB LYS A 23 -15.350 12.544 -23.932 1.00 0.00 C ATOM 330 CG LYS A 23 -14.258 11.588 -24.379 1.00 0.00 C ATOM 331 CD LYS A 23 -13.483 12.140 -25.563 1.00 0.00 C ATOM 332 CE LYS A 23 -12.008 12.308 -25.232 1.00 0.00 C ATOM 333 NZ LYS A 23 -11.295 13.109 -26.267 1.00 0.00 N1+ ATOM 0 H LYS A 23 -14.499 12.769 -21.619 1.00 0.00 H new ATOM 0 HA LYS A 23 -14.015 14.229 -24.022 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.957 12.058 -23.169 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.007 12.753 -24.776 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.574 11.402 -23.551 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.701 10.629 -24.648 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.592 11.469 -26.415 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.903 13.102 -25.858 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.907 12.795 -24.262 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.541 11.327 -25.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.293 13.201 -26.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.370 12.632 -27.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.724 14.054 -26.331 1.00 0.00 H new ATOM 347 N GLU A 24 -16.736 14.885 -22.300 1.00 0.00 N ATOM 348 CA GLU A 24 -17.838 15.829 -22.161 1.00 0.00 C ATOM 349 C GLU A 24 -17.368 17.123 -21.502 1.00 0.00 C ATOM 350 O GLU A 24 -18.173 17.995 -21.177 1.00 0.00 O ATOM 351 CB GLU A 24 -18.971 15.209 -21.340 1.00 0.00 C ATOM 352 CG GLU A 24 -20.311 15.200 -22.058 1.00 0.00 C ATOM 353 CD GLU A 24 -21.171 14.014 -21.673 1.00 0.00 C ATOM 354 OE1 GLU A 24 -21.598 13.944 -20.501 1.00 0.00 O ATOM 355 OE2 GLU A 24 -21.421 13.154 -22.543 1.00 0.00 O1- ATOM 0 H GLU A 24 -16.647 14.222 -21.530 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.208 16.063 -23.159 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -18.701 14.185 -21.080 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.073 15.759 -20.405 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.847 16.122 -21.831 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.142 15.187 -23.135 1.00 0.00 H new ATOM 362 N SER A 25 -16.058 17.237 -21.307 1.00 0.00 N ATOM 363 CA SER A 25 -15.479 18.421 -20.684 1.00 0.00 C ATOM 364 C SER A 25 -14.541 19.141 -21.648 1.00 0.00 C ATOM 365 O SER A 25 -13.754 19.997 -21.245 1.00 0.00 O ATOM 366 CB SER A 25 -14.722 18.035 -19.412 1.00 0.00 C ATOM 367 OG SER A 25 -15.604 17.923 -18.308 1.00 0.00 O ATOM 0 H SER A 25 -15.378 16.524 -21.571 1.00 0.00 H new ATOM 0 HA SER A 25 -16.293 19.098 -20.424 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.205 17.088 -19.566 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.959 18.783 -19.198 1.00 0.00 H new ATOM 0 HG SER A 25 -15.545 17.020 -17.932 1.00 0.00 H new ATOM 424 N LYS A 30 -17.519 21.483 -25.408 1.00 0.00 N ATOM 425 CA LYS A 30 -16.879 22.795 -25.443 1.00 0.00 C ATOM 426 C LYS A 30 -16.366 23.110 -26.844 1.00 0.00 C ATOM 427 O LYS A 30 -16.311 24.273 -27.248 1.00 0.00 O ATOM 428 CB LYS A 30 -15.724 22.848 -24.440 1.00 0.00 C ATOM 429 CG LYS A 30 -16.165 23.150 -23.019 1.00 0.00 C ATOM 430 CD LYS A 30 -15.415 22.299 -22.010 1.00 0.00 C ATOM 431 CE LYS A 30 -16.325 21.829 -20.886 1.00 0.00 C ATOM 432 NZ LYS A 30 -15.585 21.656 -19.606 1.00 0.00 N1+ ATOM 0 HA LYS A 30 -17.623 23.544 -25.170 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.199 21.893 -24.453 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.011 23.608 -24.759 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.998 24.205 -22.802 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.236 22.970 -22.923 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.982 21.435 -22.513 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.588 22.873 -21.593 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.130 22.551 -20.745 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.790 20.884 -21.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.212 21.223 -18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.762 21.040 -19.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.264 22.584 -19.263 1.00 0.00 H new ATOM 446 N VAL A 31 -15.995 22.070 -27.582 1.00 0.00 N ATOM 447 CA VAL A 31 -15.487 22.237 -28.939 1.00 0.00 C ATOM 448 C VAL A 31 -16.469 23.028 -29.796 1.00 0.00 C ATOM 449 O VAL A 31 -16.106 23.553 -30.849 1.00 0.00 O ATOM 450 CB VAL A 31 -15.218 20.877 -29.609 1.00 0.00 C ATOM 451 CG1 VAL A 31 -16.525 20.198 -29.987 1.00 0.00 C ATOM 452 CG2 VAL A 31 -14.325 21.053 -30.830 1.00 0.00 C ATOM 0 H VAL A 31 -16.036 21.102 -27.264 1.00 0.00 H new ATOM 0 HA VAL A 31 -14.549 22.787 -28.862 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.699 20.237 -28.896 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.313 19.239 -30.459 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.124 20.037 -29.091 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.076 20.831 -30.683 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -14.145 20.082 -31.292 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -14.815 21.711 -31.548 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.375 21.492 -30.526 1.00 0.00 H new ATOM 462 N TRP A 32 -17.714 23.108 -29.341 1.00 0.00 N ATOM 463 CA TRP A 32 -18.748 23.836 -30.069 1.00 0.00 C ATOM 464 C TRP A 32 -18.297 25.257 -30.379 1.00 0.00 C ATOM 465 O TRP A 32 -18.277 25.675 -31.537 1.00 0.00 O ATOM 466 CB TRP A 32 -20.046 23.866 -29.257 1.00 0.00 C ATOM 467 CG TRP A 32 -21.132 24.671 -29.903 1.00 0.00 C ATOM 468 CD1 TRP A 32 -21.748 25.774 -29.387 1.00 0.00 C ATOM 469 CD2 TRP A 32 -21.729 24.435 -31.183 1.00 0.00 C ATOM 470 NE1 TRP A 32 -22.693 26.239 -30.269 1.00 0.00 N ATOM 471 CE2 TRP A 32 -22.702 25.436 -31.380 1.00 0.00 C ATOM 472 CE3 TRP A 32 -21.535 23.479 -32.183 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -23.477 25.503 -32.534 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -22.308 23.547 -33.326 1.00 0.00 C ATOM 475 CH2 TRP A 32 -23.266 24.554 -33.496 1.00 0.00 C ATOM 0 H TRP A 32 -18.032 22.678 -28.472 1.00 0.00 H new ATOM 0 HA TRP A 32 -18.927 23.318 -31.011 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -20.398 22.845 -29.111 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -19.838 24.276 -28.269 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -21.525 26.216 -28.427 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -23.292 27.051 -30.121 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -20.795 22.702 -32.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -24.219 26.277 -32.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -22.171 22.810 -34.103 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -23.850 24.582 -34.404 1.00 0.00 H new ATOM 486 N GLY A 33 -17.935 26.000 -29.337 1.00 0.00 N ATOM 487 CA GLY A 33 -17.488 27.369 -29.522 1.00 0.00 C ATOM 488 C GLY A 33 -16.634 27.861 -28.368 1.00 0.00 C ATOM 489 O GLY A 33 -16.461 29.066 -28.186 1.00 0.00 O ATOM 0 H GLY A 33 -17.943 25.679 -28.369 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.918 27.440 -30.448 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.356 28.020 -29.631 1.00 0.00 H new ATOM 493 N SER A 34 -16.103 26.926 -27.587 1.00 0.00 N ATOM 494 CA SER A 34 -15.269 27.271 -26.442 1.00 0.00 C ATOM 495 C SER A 34 -13.832 27.540 -26.879 1.00 0.00 C ATOM 496 O SER A 34 -13.315 28.643 -26.703 1.00 0.00 O ATOM 497 CB SER A 34 -15.297 26.147 -25.407 1.00 0.00 C ATOM 498 OG SER A 34 -14.588 26.513 -24.237 1.00 0.00 O ATOM 0 H SER A 34 -16.235 25.924 -27.726 1.00 0.00 H new ATOM 0 HA SER A 34 -15.670 28.179 -25.992 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.330 25.910 -25.151 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.859 25.245 -25.834 1.00 0.00 H new ATOM 0 HG SER A 34 -13.636 26.613 -24.449 1.00 0.00 H new ATOM 504 N ILE A 35 -13.193 26.524 -27.448 1.00 0.00 N ATOM 505 CA ILE A 35 -11.817 26.651 -27.911 1.00 0.00 C ATOM 506 C ILE A 35 -11.680 27.779 -28.929 1.00 0.00 C ATOM 507 O ILE A 35 -10.574 28.233 -29.222 1.00 0.00 O ATOM 508 CB ILE A 35 -11.313 25.341 -28.546 1.00 0.00 C ATOM 509 CG1 ILE A 35 -11.871 24.133 -27.786 1.00 0.00 C ATOM 510 CG2 ILE A 35 -9.792 25.308 -28.556 1.00 0.00 C ATOM 511 CD1 ILE A 35 -11.046 22.878 -27.957 1.00 0.00 C ATOM 0 H ILE A 35 -13.606 25.604 -27.600 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.210 26.879 -27.035 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.666 25.295 -29.576 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.930 24.377 -26.725 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.888 23.938 -28.126 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.451 24.376 -29.008 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.414 26.151 -29.134 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.420 25.373 -27.534 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.500 22.064 -27.392 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.007 22.609 -29.013 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.035 23.055 -27.590 1.00 0.00 H new ATOM 523 N LYS A 36 -12.812 28.227 -29.461 1.00 0.00 N ATOM 524 CA LYS A 36 -12.821 29.304 -30.443 1.00 0.00 C ATOM 525 C LYS A 36 -13.644 30.489 -29.945 1.00 0.00 C ATOM 526 O LYS A 36 -13.966 31.398 -30.708 1.00 0.00 O ATOM 527 CB LYS A 36 -13.381 28.804 -31.776 1.00 0.00 C ATOM 528 CG LYS A 36 -14.643 27.970 -31.630 1.00 0.00 C ATOM 529 CD LYS A 36 -15.718 28.411 -32.610 1.00 0.00 C ATOM 530 CE LYS A 36 -15.312 28.121 -34.047 1.00 0.00 C ATOM 531 NZ LYS A 36 -15.498 29.308 -34.926 1.00 0.00 N1+ ATOM 0 H LYS A 36 -13.735 27.861 -29.228 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.793 29.635 -30.590 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.593 29.661 -32.416 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.619 28.210 -32.281 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.407 26.919 -31.796 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.021 28.055 -30.611 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.652 27.897 -32.383 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.905 29.478 -32.491 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.268 27.810 -34.074 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.903 27.289 -34.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.210 29.070 -35.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.499 29.590 -34.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.915 30.094 -34.575 1.00 0.00 H new ATOM 545 N GLY A 37 -13.983 30.469 -28.660 1.00 0.00 N ATOM 546 CA GLY A 37 -14.765 31.547 -28.081 1.00 0.00 C ATOM 547 C GLY A 37 -14.467 31.755 -26.610 1.00 0.00 C ATOM 548 O GLY A 37 -13.993 32.817 -26.210 1.00 0.00 O ATOM 0 H GLY A 37 -13.730 29.726 -28.009 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.562 32.470 -28.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -15.826 31.330 -28.206 1.00 0.00 H new ATOM 552 N LEU A 38 -14.747 30.739 -25.802 1.00 0.00 N ATOM 553 CA LEU A 38 -14.509 30.816 -24.365 1.00 0.00 C ATOM 554 C LEU A 38 -13.017 30.716 -24.055 1.00 0.00 C ATOM 555 O LEU A 38 -12.444 31.602 -23.420 1.00 0.00 O ATOM 556 CB LEU A 38 -15.267 29.700 -23.641 1.00 0.00 C ATOM 557 CG LEU A 38 -16.785 29.869 -23.555 1.00 0.00 C ATOM 558 CD1 LEU A 38 -17.469 28.511 -23.533 1.00 0.00 C ATOM 559 CD2 LEU A 38 -17.162 30.679 -22.324 1.00 0.00 C ATOM 0 H LEU A 38 -15.139 29.852 -26.117 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.872 31.781 -24.013 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.054 28.757 -24.144 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.872 29.617 -22.628 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.124 30.411 -24.438 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.549 28.648 -23.472 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.224 27.965 -24.444 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.126 27.945 -22.667 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.245 30.789 -22.279 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.812 30.165 -21.429 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.699 31.664 -22.381 1.00 0.00 H new ATOM 571 N THR A 39 -12.396 29.633 -24.509 1.00 0.00 N ATOM 572 CA THR A 39 -10.972 29.418 -24.281 1.00 0.00 C ATOM 573 C THR A 39 -10.130 30.229 -25.259 1.00 0.00 C ATOM 574 O THR A 39 -8.940 30.448 -25.034 1.00 0.00 O ATOM 575 CB THR A 39 -10.601 27.929 -24.413 1.00 0.00 C ATOM 576 OG1 THR A 39 -11.779 27.148 -24.636 1.00 0.00 O ATOM 577 CG2 THR A 39 -9.888 27.435 -23.163 1.00 0.00 C ATOM 0 H THR A 39 -12.856 28.891 -25.037 1.00 0.00 H new ATOM 0 HA THR A 39 -10.761 29.749 -23.264 1.00 0.00 H new ATOM 0 HB THR A 39 -9.927 27.820 -25.263 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.534 26.203 -24.720 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.636 26.381 -23.280 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.975 28.012 -23.013 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.541 27.558 -22.299 1.00 0.00 H new ATOM 585 N GLU A 40 -10.756 30.672 -26.344 1.00 0.00 N ATOM 586 CA GLU A 40 -10.063 31.461 -27.356 1.00 0.00 C ATOM 587 C GLU A 40 -10.245 32.955 -27.104 1.00 0.00 C ATOM 588 O GLU A 40 -9.395 33.765 -27.466 1.00 0.00 O ATOM 589 CB GLU A 40 -10.575 31.104 -28.754 1.00 0.00 C ATOM 590 CG GLU A 40 -10.562 32.271 -29.725 1.00 0.00 C ATOM 591 CD GLU A 40 -9.162 32.780 -30.007 1.00 0.00 C ATOM 592 OE1 GLU A 40 -8.212 31.973 -29.936 1.00 0.00 O ATOM 593 OE2 GLU A 40 -9.017 33.985 -30.299 1.00 0.00 O1- ATOM 0 H GLU A 40 -11.741 30.498 -26.545 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.000 31.227 -27.294 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.964 30.298 -29.160 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.593 30.722 -28.672 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.029 31.965 -30.661 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.165 33.083 -29.319 1.00 0.00 H new ATOM 600 N GLY A 41 -11.364 33.310 -26.477 1.00 0.00 N ATOM 601 CA GLY A 41 -11.639 34.705 -26.187 1.00 0.00 C ATOM 602 C GLY A 41 -11.324 35.070 -24.751 1.00 0.00 C ATOM 603 O GLY A 41 -10.781 36.143 -24.480 1.00 0.00 O ATOM 0 H GLY A 41 -12.083 32.657 -26.166 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.052 35.335 -26.856 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.689 34.915 -26.390 1.00 0.00 H new ATOM 607 N LEU A 42 -11.667 34.181 -23.827 1.00 0.00 N ATOM 608 CA LEU A 42 -11.418 34.415 -22.408 1.00 0.00 C ATOM 609 C LEU A 42 -10.061 33.856 -21.993 1.00 0.00 C ATOM 610 O LEU A 42 -9.454 34.322 -21.027 1.00 0.00 O ATOM 611 CB LEU A 42 -12.524 33.782 -21.565 1.00 0.00 C ATOM 612 CG LEU A 42 -13.916 33.751 -22.195 1.00 0.00 C ATOM 613 CD1 LEU A 42 -14.841 32.838 -21.406 1.00 0.00 C ATOM 614 CD2 LEU A 42 -14.495 35.156 -22.281 1.00 0.00 C ATOM 0 H LEU A 42 -12.119 33.290 -24.034 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.413 35.492 -22.238 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.232 32.759 -21.328 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.587 34.322 -20.620 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.826 33.355 -23.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.827 32.830 -21.871 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.435 31.827 -21.399 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.925 33.202 -20.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.486 35.114 -22.732 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.570 35.581 -21.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.844 35.781 -22.893 1.00 0.00 H new ATOM 626 N HIS A 43 -9.589 32.855 -22.730 1.00 0.00 N ATOM 627 CA HIS A 43 -8.303 32.232 -22.440 1.00 0.00 C ATOM 628 C HIS A 43 -7.370 32.327 -23.642 1.00 0.00 C ATOM 629 O HIS A 43 -6.202 31.946 -23.566 1.00 0.00 O ATOM 630 CB HIS A 43 -8.497 30.769 -22.042 1.00 0.00 C ATOM 631 CG HIS A 43 -7.762 30.384 -20.797 1.00 0.00 C ATOM 632 ND1 HIS A 43 -6.384 30.331 -20.723 1.00 0.00 N ATOM 633 CD2 HIS A 43 -8.217 30.029 -19.574 1.00 0.00 C ATOM 634 CE1 HIS A 43 -6.026 29.960 -19.506 1.00 0.00 C ATOM 635 NE2 HIS A 43 -7.119 29.772 -18.787 1.00 0.00 N ATOM 0 H HIS A 43 -10.078 32.458 -23.532 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.848 32.768 -21.607 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.561 30.578 -21.900 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.165 30.131 -22.861 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.251 29.960 -19.271 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.012 29.832 -19.158 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.144 29.484 -17.809 1.00 0.00 H new ATOM 643 N GLY A 44 -7.894 32.835 -24.753 1.00 0.00 N ATOM 644 CA GLY A 44 -7.094 32.967 -25.957 1.00 0.00 C ATOM 645 C GLY A 44 -6.858 34.416 -26.338 1.00 0.00 C ATOM 646 O GLY A 44 -5.891 34.733 -27.030 1.00 0.00 O ATOM 0 H GLY A 44 -8.858 33.157 -24.841 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.134 32.472 -25.808 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.593 32.454 -26.780 1.00 0.00 H new ATOM 650 N PHE A 45 -7.744 35.298 -25.887 1.00 0.00 N ATOM 651 CA PHE A 45 -7.628 36.720 -26.186 1.00 0.00 C ATOM 652 C PHE A 45 -7.555 37.542 -24.904 1.00 0.00 C ATOM 653 O PHE A 45 -7.090 38.683 -24.909 1.00 0.00 O ATOM 654 CB PHE A 45 -8.814 37.182 -27.037 1.00 0.00 C ATOM 655 CG PHE A 45 -9.000 38.673 -27.045 1.00 0.00 C ATOM 656 CD1 PHE A 45 -9.739 39.296 -26.053 1.00 0.00 C ATOM 657 CD2 PHE A 45 -8.438 39.448 -28.045 1.00 0.00 C ATOM 658 CE1 PHE A 45 -9.913 40.667 -26.060 1.00 0.00 C ATOM 659 CE2 PHE A 45 -8.607 40.821 -28.057 1.00 0.00 C ATOM 660 CZ PHE A 45 -9.347 41.431 -27.061 1.00 0.00 C ATOM 0 H PHE A 45 -8.551 35.052 -25.313 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.706 36.874 -26.747 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.673 36.836 -28.061 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.724 36.712 -26.664 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.184 38.705 -25.266 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.860 38.975 -28.825 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.492 41.141 -25.282 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.162 41.415 -28.842 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.482 42.503 -27.066 1.00 0.00 H new ATOM 670 N HIS A 46 -8.021 36.956 -23.807 1.00 0.00 N ATOM 671 CA HIS A 46 -8.010 37.634 -22.514 1.00 0.00 C ATOM 672 C HIS A 46 -6.823 37.177 -21.671 1.00 0.00 C ATOM 673 O HIS A 46 -6.191 37.981 -20.985 1.00 0.00 O ATOM 674 CB HIS A 46 -9.316 37.367 -21.764 1.00 0.00 C ATOM 675 CG HIS A 46 -9.207 37.568 -20.283 1.00 0.00 C ATOM 676 ND1 HIS A 46 -9.689 36.660 -19.364 1.00 0.00 N ATOM 677 CD2 HIS A 46 -8.667 38.579 -19.564 1.00 0.00 C ATOM 678 CE1 HIS A 46 -9.449 37.104 -18.143 1.00 0.00 C ATOM 679 NE2 HIS A 46 -8.831 38.266 -18.237 1.00 0.00 N ATOM 0 H HIS A 46 -8.411 36.014 -23.786 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.915 38.705 -22.693 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -10.092 38.025 -22.156 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -9.636 36.344 -21.961 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -10.157 35.783 -19.591 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.195 39.466 -19.960 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.714 36.601 -17.224 1.00 0.00 H new ATOM 687 N VAL A 47 -6.527 35.884 -21.728 1.00 0.00 N ATOM 688 CA VAL A 47 -5.413 35.322 -20.970 1.00 0.00 C ATOM 689 C VAL A 47 -4.170 35.185 -21.839 1.00 0.00 C ATOM 690 O VAL A 47 -3.045 35.346 -21.363 1.00 0.00 O ATOM 691 CB VAL A 47 -5.775 33.940 -20.389 1.00 0.00 C ATOM 692 CG1 VAL A 47 -4.596 33.361 -19.620 1.00 0.00 C ATOM 693 CG2 VAL A 47 -7.005 34.041 -19.498 1.00 0.00 C ATOM 0 H VAL A 47 -7.041 35.205 -22.290 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.205 36.012 -20.152 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.008 33.267 -21.214 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.868 32.386 -19.217 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.743 33.251 -20.290 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.331 34.031 -18.802 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.246 33.056 -19.097 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.804 34.728 -18.676 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.848 34.411 -20.082 1.00 0.00 H new ATOM 703 N HIS A 48 -4.375 34.890 -23.118 1.00 0.00 N ATOM 704 CA HIS A 48 -3.270 34.733 -24.056 1.00 0.00 C ATOM 705 C HIS A 48 -3.138 35.964 -24.949 1.00 0.00 C ATOM 706 O HIS A 48 -2.046 36.289 -25.413 1.00 0.00 O ATOM 707 CB HIS A 48 -3.474 33.486 -24.914 1.00 0.00 C ATOM 708 CG HIS A 48 -3.124 32.211 -24.209 1.00 0.00 C ATOM 709 ND1 HIS A 48 -3.111 32.090 -22.837 1.00 0.00 N ATOM 710 CD2 HIS A 48 -2.775 30.998 -24.697 1.00 0.00 C ATOM 711 CE1 HIS A 48 -2.768 30.856 -22.510 1.00 0.00 C ATOM 712 NE2 HIS A 48 -2.558 30.174 -23.621 1.00 0.00 N ATOM 0 H HIS A 48 -5.298 34.755 -23.529 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.351 34.621 -23.481 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.515 33.441 -25.234 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.867 33.572 -25.815 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.684 30.729 -25.739 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.675 30.471 -21.505 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.280 29.194 -23.671 1.00 0.00 H new ATOM 720 N GLU A 49 -4.256 36.642 -25.185 1.00 0.00 N ATOM 721 CA GLU A 49 -4.265 37.835 -26.023 1.00 0.00 C ATOM 722 C GLU A 49 -3.644 37.544 -27.387 1.00 0.00 C ATOM 723 O GLU A 49 -3.047 38.424 -28.010 1.00 0.00 O ATOM 724 CB GLU A 49 -3.506 38.973 -25.336 1.00 0.00 C ATOM 725 CG GLU A 49 -4.176 40.329 -25.486 1.00 0.00 C ATOM 726 CD GLU A 49 -5.154 40.622 -24.367 1.00 0.00 C ATOM 727 OE1 GLU A 49 -4.935 40.126 -23.243 1.00 0.00 O ATOM 728 OE2 GLU A 49 -6.139 41.348 -24.614 1.00 0.00 O1- ATOM 0 H GLU A 49 -5.168 36.385 -24.807 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.302 38.138 -26.171 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.405 38.743 -24.275 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.498 39.027 -25.748 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.413 41.107 -25.509 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.700 40.368 -26.441 1.00 0.00 H new ATOM 1399 N SER A 98 20.860 68.650 -42.114 1.00 0.00 N ATOM 1400 CA SER A 98 20.071 69.869 -42.250 1.00 0.00 C ATOM 1401 C SER A 98 20.964 71.104 -42.165 1.00 0.00 C ATOM 1402 O SER A 98 20.508 72.188 -41.794 1.00 0.00 O ATOM 1403 CB SER A 98 18.995 69.928 -41.164 1.00 0.00 C ATOM 1404 OG SER A 98 17.708 70.091 -41.733 1.00 0.00 O ATOM 0 HA SER A 98 19.590 69.856 -43.228 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.021 69.014 -40.571 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.204 70.755 -40.485 1.00 0.00 H new ATOM 0 HG SER A 98 17.037 70.124 -41.020 1.00 0.00 H new ATOM 1410 N ILE A 99 22.235 70.933 -42.510 1.00 0.00 N ATOM 1411 CA ILE A 99 23.190 72.033 -42.474 1.00 0.00 C ATOM 1412 C ILE A 99 22.725 73.195 -43.346 1.00 0.00 C ATOM 1413 O ILE A 99 22.859 74.359 -42.969 1.00 0.00 O ATOM 1414 CB ILE A 99 24.588 71.582 -42.942 1.00 0.00 C ATOM 1415 CG1 ILE A 99 24.995 70.292 -42.227 1.00 0.00 C ATOM 1416 CG2 ILE A 99 25.610 72.680 -42.691 1.00 0.00 C ATOM 1417 CD1 ILE A 99 25.051 69.088 -43.140 1.00 0.00 C ATOM 0 H ILE A 99 22.627 70.043 -42.818 1.00 0.00 H new ATOM 0 HA ILE A 99 23.252 72.362 -41.437 1.00 0.00 H new ATOM 0 HB ILE A 99 24.552 71.386 -44.014 1.00 0.00 H new ATOM 0 HG12 ILE A 99 25.972 70.434 -41.766 1.00 0.00 H new ATOM 0 HG13 ILE A 99 24.288 70.094 -41.421 1.00 0.00 H new ATOM 0 HG21 ILE A 99 26.592 72.347 -43.027 1.00 0.00 H new ATOM 0 HG22 ILE A 99 25.324 73.576 -43.241 1.00 0.00 H new ATOM 0 HG23 ILE A 99 25.648 72.905 -41.625 1.00 0.00 H new ATOM 0 HD11 ILE A 99 25.346 68.210 -42.566 1.00 0.00 H new ATOM 0 HD12 ILE A 99 24.069 68.920 -43.581 1.00 0.00 H new ATOM 0 HD13 ILE A 99 25.779 69.265 -43.932 1.00 0.00 H new ATOM 1429 N GLU A 100 22.178 72.868 -44.512 1.00 0.00 N ATOM 1430 CA GLU A 100 21.691 73.886 -45.438 1.00 0.00 C ATOM 1431 C GLU A 100 20.424 74.546 -44.903 1.00 0.00 C ATOM 1432 O GLU A 100 20.240 75.757 -45.035 1.00 0.00 O ATOM 1433 CB GLU A 100 21.417 73.269 -46.811 1.00 0.00 C ATOM 1434 CG GLU A 100 22.423 72.202 -47.211 1.00 0.00 C ATOM 1435 CD GLU A 100 21.941 70.797 -46.899 1.00 0.00 C ATOM 1436 OE1 GLU A 100 20.772 70.487 -47.210 1.00 0.00 O ATOM 1437 OE2 GLU A 100 22.733 70.009 -46.343 1.00 0.00 O1- ATOM 0 H GLU A 100 22.061 71.909 -44.838 1.00 0.00 H new ATOM 0 HA GLU A 100 22.463 74.649 -45.538 1.00 0.00 H new ATOM 0 HB2 GLU A 100 20.418 72.833 -46.811 1.00 0.00 H new ATOM 0 HB3 GLU A 100 21.420 74.059 -47.562 1.00 0.00 H new ATOM 0 HG2 GLU A 100 22.627 72.283 -48.279 1.00 0.00 H new ATOM 0 HG3 GLU A 100 23.364 72.383 -46.692 1.00 0.00 H new ATOM 1444 N ASP A 101 19.555 73.743 -44.302 1.00 0.00 N ATOM 1445 CA ASP A 101 18.305 74.249 -43.746 1.00 0.00 C ATOM 1446 C ASP A 101 18.557 75.028 -42.459 1.00 0.00 C ATOM 1447 O ASP A 101 17.698 75.778 -41.995 1.00 0.00 O ATOM 1448 CB ASP A 101 17.337 73.095 -43.477 1.00 0.00 C ATOM 1449 CG ASP A 101 16.153 73.516 -42.629 1.00 0.00 C ATOM 1450 OD1 ASP A 101 15.289 74.258 -43.143 1.00 0.00 O ATOM 1451 OD2 ASP A 101 16.092 73.108 -41.451 1.00 0.00 O1- ATOM 0 H ASP A 101 19.692 72.739 -44.187 1.00 0.00 H new ATOM 0 HA ASP A 101 17.859 74.924 -44.476 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.977 72.698 -44.426 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.870 72.287 -42.975 1.00 0.00 H new ATOM 1456 N SER A 102 19.741 74.843 -41.885 1.00 0.00 N ATOM 1457 CA SER A 102 20.106 75.524 -40.648 1.00 0.00 C ATOM 1458 C SER A 102 20.942 76.767 -40.939 1.00 0.00 C ATOM 1459 O SER A 102 20.746 77.819 -40.327 1.00 0.00 O ATOM 1460 CB SER A 102 20.882 74.579 -39.729 1.00 0.00 C ATOM 1461 OG SER A 102 20.553 74.802 -38.370 1.00 0.00 O ATOM 0 H SER A 102 20.464 74.227 -42.257 1.00 0.00 H new ATOM 0 HA SER A 102 19.188 75.832 -40.148 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.660 73.545 -39.995 1.00 0.00 H new ATOM 0 HB3 SER A 102 21.953 74.723 -39.875 1.00 0.00 H new ATOM 0 HG SER A 102 21.062 74.184 -37.805 1.00 0.00 H new ATOM 1467 N VAL A 103 21.874 76.640 -41.878 1.00 0.00 N ATOM 1468 CA VAL A 103 22.738 77.752 -42.253 1.00 0.00 C ATOM 1469 C VAL A 103 21.933 78.896 -42.861 1.00 0.00 C ATOM 1470 O VAL A 103 22.361 80.050 -42.839 1.00 0.00 O ATOM 1471 CB VAL A 103 23.820 77.310 -43.255 1.00 0.00 C ATOM 1472 CG1 VAL A 103 23.215 77.094 -44.633 1.00 0.00 C ATOM 1473 CG2 VAL A 103 24.943 78.335 -43.313 1.00 0.00 C ATOM 0 H VAL A 103 22.050 75.777 -42.393 1.00 0.00 H new ATOM 0 HA VAL A 103 23.220 78.098 -41.339 1.00 0.00 H new ATOM 0 HB VAL A 103 24.240 76.363 -42.915 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.995 76.782 -45.328 1.00 0.00 H new ATOM 0 HG12 VAL A 103 22.449 76.321 -44.577 1.00 0.00 H new ATOM 0 HG13 VAL A 103 22.767 78.024 -44.984 1.00 0.00 H new ATOM 0 HG21 VAL A 103 25.699 78.006 -44.026 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.541 79.298 -43.628 1.00 0.00 H new ATOM 0 HG23 VAL A 103 25.395 78.436 -42.326 1.00 0.00 H new ATOM 1483 N ILE A 104 20.766 78.565 -43.402 1.00 0.00 N ATOM 1484 CA ILE A 104 19.899 79.564 -44.016 1.00 0.00 C ATOM 1485 C ILE A 104 18.842 80.052 -43.033 1.00 0.00 C ATOM 1486 O ILE A 104 18.407 81.204 -43.094 1.00 0.00 O ATOM 1487 CB ILE A 104 19.199 79.007 -45.271 1.00 0.00 C ATOM 1488 CG1 ILE A 104 20.235 78.534 -46.292 1.00 0.00 C ATOM 1489 CG2 ILE A 104 18.290 80.063 -45.883 1.00 0.00 C ATOM 1490 CD1 ILE A 104 19.654 77.659 -47.381 1.00 0.00 C ATOM 0 H ILE A 104 20.399 77.614 -43.428 1.00 0.00 H new ATOM 0 HA ILE A 104 20.536 80.400 -44.306 1.00 0.00 H new ATOM 0 HB ILE A 104 18.588 78.153 -44.979 1.00 0.00 H new ATOM 0 HG12 ILE A 104 20.706 79.404 -46.749 1.00 0.00 H new ATOM 0 HG13 ILE A 104 21.019 77.982 -45.773 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.803 79.655 -46.768 1.00 0.00 H new ATOM 0 HG22 ILE A 104 17.533 80.358 -45.156 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.882 80.934 -46.164 1.00 0.00 H new ATOM 0 HD11 ILE A 104 20.445 77.361 -48.069 1.00 0.00 H new ATOM 0 HD12 ILE A 104 19.207 76.771 -46.934 1.00 0.00 H new ATOM 0 HD13 ILE A 104 18.890 78.214 -47.925 1.00 0.00 H new ATOM 1502 N SER A 105 18.433 79.173 -42.125 1.00 0.00 N ATOM 1503 CA SER A 105 17.425 79.514 -41.128 1.00 0.00 C ATOM 1504 C SER A 105 18.038 80.326 -39.992 1.00 0.00 C ATOM 1505 O SER A 105 17.361 81.139 -39.358 1.00 0.00 O ATOM 1506 CB SER A 105 16.777 78.246 -40.572 1.00 0.00 C ATOM 1507 OG SER A 105 17.688 77.520 -39.763 1.00 0.00 O ATOM 0 H SER A 105 18.784 78.218 -42.059 1.00 0.00 H new ATOM 0 HA SER A 105 16.660 80.120 -41.613 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.897 78.511 -39.986 1.00 0.00 H new ATOM 0 HB3 SER A 105 16.436 77.618 -41.395 1.00 0.00 H new ATOM 0 HG SER A 105 18.606 77.733 -40.032 1.00 0.00 H new ATOM 1513 N LEU A 106 19.323 80.102 -39.739 1.00 0.00 N ATOM 1514 CA LEU A 106 20.030 80.812 -38.678 1.00 0.00 C ATOM 1515 C LEU A 106 20.094 82.308 -38.974 1.00 0.00 C ATOM 1516 O LEU A 106 19.874 83.136 -38.090 1.00 0.00 O ATOM 1517 CB LEU A 106 21.444 80.251 -38.515 1.00 0.00 C ATOM 1518 CG LEU A 106 22.268 80.832 -37.367 1.00 0.00 C ATOM 1519 CD1 LEU A 106 21.919 80.143 -36.057 1.00 0.00 C ATOM 1520 CD2 LEU A 106 23.756 80.703 -37.659 1.00 0.00 C ATOM 0 H LEU A 106 19.897 79.434 -40.254 1.00 0.00 H new ATOM 0 HA LEU A 106 19.480 80.667 -37.748 1.00 0.00 H new ATOM 0 HB2 LEU A 106 21.371 79.173 -38.374 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.988 80.415 -39.445 1.00 0.00 H new ATOM 0 HG LEU A 106 22.027 81.891 -37.273 1.00 0.00 H new ATOM 0 HD11 LEU A 106 22.516 80.570 -35.251 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.861 80.288 -35.841 1.00 0.00 H new ATOM 0 HD13 LEU A 106 22.130 79.077 -36.139 1.00 0.00 H new ATOM 0 HD21 LEU A 106 24.327 81.122 -36.831 1.00 0.00 H new ATOM 0 HD22 LEU A 106 24.013 79.651 -37.781 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.995 81.244 -38.575 1.00 0.00 H new ATOM 1532 N SER A 107 20.395 82.646 -40.223 1.00 0.00 N ATOM 1533 CA SER A 107 20.490 84.042 -40.636 1.00 0.00 C ATOM 1534 C SER A 107 19.219 84.484 -41.353 1.00 0.00 C ATOM 1535 O SER A 107 19.027 85.668 -41.623 1.00 0.00 O ATOM 1536 CB SER A 107 21.701 84.245 -41.548 1.00 0.00 C ATOM 1537 OG SER A 107 21.480 83.671 -42.825 1.00 0.00 O ATOM 0 H SER A 107 20.577 81.973 -40.967 1.00 0.00 H new ATOM 0 HA SER A 107 20.612 84.652 -39.741 1.00 0.00 H new ATOM 0 HB2 SER A 107 21.905 85.310 -41.655 1.00 0.00 H new ATOM 0 HB3 SER A 107 22.583 83.796 -41.092 1.00 0.00 H new ATOM 0 HG SER A 107 22.268 83.816 -43.390 1.00 0.00 H new ATOM 1543 N GLY A 108 18.353 83.522 -41.657 1.00 0.00 N ATOM 1544 CA GLY A 108 17.111 83.830 -42.342 1.00 0.00 C ATOM 1545 C GLY A 108 15.914 83.805 -41.411 1.00 0.00 C ATOM 1546 O GLY A 108 14.791 84.091 -41.823 1.00 0.00 O ATOM 0 H GLY A 108 18.489 82.535 -41.441 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.188 84.815 -42.803 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.956 83.112 -43.147 1.00 0.00 H new ATOM 1550 N ASP A 109 16.156 83.461 -40.148 1.00 0.00 N ATOM 1551 CA ASP A 109 15.089 83.396 -39.157 1.00 0.00 C ATOM 1552 C ASP A 109 15.525 84.049 -37.849 1.00 0.00 C ATOM 1553 O ASP A 109 14.873 83.891 -36.816 1.00 0.00 O ATOM 1554 CB ASP A 109 14.684 81.943 -38.906 1.00 0.00 C ATOM 1555 CG ASP A 109 13.178 81.755 -38.902 1.00 0.00 C ATOM 1556 OD1 ASP A 109 12.519 82.266 -37.972 1.00 0.00 O ATOM 1557 OD2 ASP A 109 12.662 81.096 -39.829 1.00 0.00 O1- ATOM 0 H ASP A 109 17.081 83.224 -39.789 1.00 0.00 H new ATOM 0 HA ASP A 109 14.229 83.941 -39.547 1.00 0.00 H new ATOM 0 HB2 ASP A 109 15.125 81.308 -39.674 1.00 0.00 H new ATOM 0 HB3 ASP A 109 15.091 81.615 -37.949 1.00 0.00 H new ATOM 1562 N HIS A 110 16.633 84.782 -37.900 1.00 0.00 N ATOM 1563 CA HIS A 110 17.157 85.458 -36.719 1.00 0.00 C ATOM 1564 C HIS A 110 17.487 86.916 -37.029 1.00 0.00 C ATOM 1565 O HIS A 110 17.787 87.700 -36.127 1.00 0.00 O ATOM 1566 CB HIS A 110 18.403 84.740 -36.203 1.00 0.00 C ATOM 1567 CG HIS A 110 18.659 84.956 -34.744 1.00 0.00 C ATOM 1568 ND1 HIS A 110 18.086 84.185 -33.755 1.00 0.00 N ATOM 1569 CD2 HIS A 110 19.436 85.865 -34.106 1.00 0.00 C ATOM 1570 CE1 HIS A 110 18.497 84.608 -32.574 1.00 0.00 C ATOM 1571 NE2 HIS A 110 19.316 85.628 -32.760 1.00 0.00 N ATOM 0 H HIS A 110 17.185 84.923 -38.746 1.00 0.00 H new ATOM 0 HA HIS A 110 16.388 85.433 -35.947 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.300 83.671 -36.391 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.269 85.081 -36.770 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.037 86.633 -34.570 1.00 0.00 H new ATOM 0 HE1 HIS A 110 18.212 84.192 -31.619 1.00 0.00 H new ATOM 0 HE2 HIS A 110 19.784 86.154 -32.022 1.00 0.00 H new ATOM 1579 N CYS A 111 17.430 87.271 -38.307 1.00 0.00 N ATOM 1580 CA CYS A 111 17.724 88.634 -38.736 1.00 0.00 C ATOM 1581 C CYS A 111 16.492 89.287 -39.352 1.00 0.00 C ATOM 1582 O CYS A 111 16.292 90.496 -39.228 1.00 0.00 O ATOM 1583 CB CYS A 111 18.875 88.636 -39.743 1.00 0.00 C ATOM 1584 SG CYS A 111 20.488 88.250 -39.022 1.00 0.00 S ATOM 0 H CYS A 111 17.183 86.634 -39.065 1.00 0.00 H new ATOM 0 HA CYS A 111 18.018 89.210 -37.859 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.658 87.912 -40.528 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.926 89.616 -40.218 1.00 0.00 H new ATOM 0 HG CYS A 111 21.396 88.274 -39.952 1.00 0.00 H new ATOM 1590 N ILE A 112 15.670 88.481 -40.017 1.00 0.00 N ATOM 1591 CA ILE A 112 14.459 88.984 -40.654 1.00 0.00 C ATOM 1592 C ILE A 112 13.222 88.629 -39.835 1.00 0.00 C ATOM 1593 O ILE A 112 12.314 89.447 -39.676 1.00 0.00 O ATOM 1594 CB ILE A 112 14.298 88.422 -42.078 1.00 0.00 C ATOM 1595 CG1 ILE A 112 13.029 88.979 -42.729 1.00 0.00 C ATOM 1596 CG2 ILE A 112 14.256 86.901 -42.046 1.00 0.00 C ATOM 1597 CD1 ILE A 112 13.107 89.053 -44.238 1.00 0.00 C ATOM 0 H ILE A 112 15.821 87.478 -40.128 1.00 0.00 H new ATOM 0 HA ILE A 112 14.557 90.068 -40.710 1.00 0.00 H new ATOM 0 HB ILE A 112 15.157 88.731 -42.673 1.00 0.00 H new ATOM 0 HG12 ILE A 112 12.181 88.354 -42.447 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.835 89.976 -42.334 1.00 0.00 H new ATOM 0 HG21 ILE A 112 14.142 86.519 -43.060 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.183 86.520 -41.617 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.413 86.573 -41.438 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.174 89.457 -44.631 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.934 89.701 -44.528 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.270 88.054 -44.643 1.00 0.00 H new ATOM 1609 N ILE A 113 13.192 87.406 -39.317 1.00 0.00 N ATOM 1610 CA ILE A 113 12.068 86.944 -38.514 1.00 0.00 C ATOM 1611 C ILE A 113 12.382 87.041 -37.024 1.00 0.00 C ATOM 1612 O ILE A 113 11.691 87.734 -36.276 1.00 0.00 O ATOM 1613 CB ILE A 113 11.692 85.489 -38.853 1.00 0.00 C ATOM 1614 CG1 ILE A 113 11.243 85.384 -40.310 1.00 0.00 C ATOM 1615 CG2 ILE A 113 10.598 84.993 -37.919 1.00 0.00 C ATOM 1616 CD1 ILE A 113 11.891 84.243 -41.063 1.00 0.00 C ATOM 0 H ILE A 113 13.934 86.717 -39.439 1.00 0.00 H new ATOM 0 HA ILE A 113 11.224 87.592 -38.750 1.00 0.00 H new ATOM 0 HB ILE A 113 12.572 84.860 -38.716 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.161 85.259 -40.340 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.470 86.320 -40.820 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.343 83.964 -38.171 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.951 85.037 -36.889 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.715 85.622 -38.027 1.00 0.00 H new ATOM 0 HD11 ILE A 113 11.525 84.230 -42.090 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.973 84.376 -41.065 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.643 83.299 -40.578 1.00 0.00 H new ATOM 1628 N GLY A 114 13.429 86.343 -36.598 1.00 0.00 N ATOM 1629 CA GLY A 114 13.817 86.364 -35.200 1.00 0.00 C ATOM 1630 C GLY A 114 14.178 87.755 -34.720 1.00 0.00 C ATOM 1631 O GLY A 114 14.100 88.047 -33.527 1.00 0.00 O ATOM 0 H GLY A 114 14.016 85.762 -37.197 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.000 85.974 -34.593 1.00 0.00 H new ATOM 0 HA3 GLY A 114 14.668 85.700 -35.052 1.00 0.00 H new ATOM 1635 N ARG A 115 14.580 88.614 -35.651 1.00 0.00 N ATOM 1636 CA ARG A 115 14.960 89.983 -35.316 1.00 0.00 C ATOM 1637 C ARG A 115 13.727 90.828 -35.013 1.00 0.00 C ATOM 1638 O ARG A 115 13.834 91.932 -34.475 1.00 0.00 O ATOM 1639 CB ARG A 115 15.751 90.610 -36.464 1.00 0.00 C ATOM 1640 CG ARG A 115 16.410 91.929 -36.099 1.00 0.00 C ATOM 1641 CD ARG A 115 15.684 93.108 -36.729 1.00 0.00 C ATOM 1642 NE ARG A 115 16.333 94.380 -36.422 1.00 0.00 N ATOM 1643 CZ ARG A 115 15.761 95.562 -36.617 1.00 0.00 C ATOM 1644 NH1 ARG A 115 14.534 95.636 -37.111 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 16.417 96.676 -36.312 1.00 0.00 N ATOM 0 H ARG A 115 14.651 88.387 -36.643 1.00 0.00 H new ATOM 0 HA ARG A 115 15.588 89.953 -34.426 1.00 0.00 H new ATOM 0 HB2 ARG A 115 16.518 89.908 -36.791 1.00 0.00 H new ATOM 0 HB3 ARG A 115 15.083 90.769 -37.310 1.00 0.00 H new ATOM 0 HG2 ARG A 115 16.421 92.044 -35.015 1.00 0.00 H new ATOM 0 HG3 ARG A 115 17.449 91.922 -36.429 1.00 0.00 H new ATOM 0 HD2 ARG A 115 15.644 92.973 -37.810 1.00 0.00 H new ATOM 0 HD3 ARG A 115 14.654 93.132 -36.373 1.00 0.00 H new ATOM 0 HE ARG A 115 17.277 94.359 -36.037 1.00 0.00 H new ATOM 0 HH11 ARG A 115 14.025 94.783 -37.343 1.00 0.00 H new ATOM 0 HH12 ARG A 115 14.098 96.546 -37.259 1.00 0.00 H new ATOM 0 HH21 ARG A 115 17.360 96.623 -35.928 1.00 0.00 H new ATOM 0 HH22 ARG A 115 15.977 97.584 -36.462 1.00 0.00 H new ATOM 1659 N THR A 116 12.555 90.305 -35.358 1.00 0.00 N ATOM 1660 CA THR A 116 11.301 91.012 -35.125 1.00 0.00 C ATOM 1661 C THR A 116 10.566 90.442 -33.919 1.00 0.00 C ATOM 1662 O THR A 116 9.888 91.169 -33.191 1.00 0.00 O ATOM 1663 CB THR A 116 10.379 90.940 -36.355 1.00 0.00 C ATOM 1664 OG1 THR A 116 11.030 90.233 -37.417 1.00 0.00 O ATOM 1665 CG2 THR A 116 9.998 92.335 -36.828 1.00 0.00 C ATOM 0 H THR A 116 12.448 89.392 -35.801 1.00 0.00 H new ATOM 0 HA THR A 116 11.556 92.054 -34.933 1.00 0.00 H new ATOM 0 HB THR A 116 9.471 90.409 -36.069 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.154 89.296 -37.158 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.346 92.259 -37.698 1.00 0.00 H new ATOM 0 HG22 THR A 116 9.476 92.860 -36.028 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.899 92.887 -37.097 1.00 0.00 H new ATOM 1673 N LEU A 117 10.704 89.137 -33.708 1.00 0.00 N ATOM 1674 CA LEU A 117 10.052 88.468 -32.588 1.00 0.00 C ATOM 1675 C LEU A 117 10.938 88.501 -31.345 1.00 0.00 C ATOM 1676 O LEU A 117 10.443 88.496 -30.217 1.00 0.00 O ATOM 1677 CB LEU A 117 9.720 87.021 -32.954 1.00 0.00 C ATOM 1678 CG LEU A 117 8.377 86.493 -32.448 1.00 0.00 C ATOM 1679 CD1 LEU A 117 8.342 86.493 -30.927 1.00 0.00 C ATOM 1680 CD2 LEU A 117 7.232 87.322 -33.009 1.00 0.00 C ATOM 0 H LEU A 117 11.262 88.521 -34.299 1.00 0.00 H new ATOM 0 HA LEU A 117 9.127 89.000 -32.367 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.739 86.928 -34.040 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.510 86.378 -32.566 1.00 0.00 H new ATOM 0 HG LEU A 117 8.259 85.466 -32.794 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.379 86.114 -30.585 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.139 85.855 -30.545 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.483 87.510 -30.560 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.284 86.932 -32.638 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.345 88.359 -32.694 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.245 87.270 -34.098 1.00 0.00 H new ATOM 1692 N VAL A 118 12.249 88.533 -31.562 1.00 0.00 N ATOM 1693 CA VAL A 118 13.204 88.570 -30.459 1.00 0.00 C ATOM 1694 C VAL A 118 13.766 89.973 -30.265 1.00 0.00 C ATOM 1695 O VAL A 118 13.547 90.604 -29.232 1.00 0.00 O ATOM 1696 CB VAL A 118 14.368 87.590 -30.694 1.00 0.00 C ATOM 1697 CG1 VAL A 118 15.176 87.405 -29.418 1.00 0.00 C ATOM 1698 CG2 VAL A 118 13.845 86.252 -31.200 1.00 0.00 C ATOM 0 H VAL A 118 12.674 88.534 -32.489 1.00 0.00 H new ATOM 0 HA VAL A 118 12.663 88.272 -29.561 1.00 0.00 H new ATOM 0 HB VAL A 118 15.025 88.010 -31.456 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.994 86.709 -29.603 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.581 88.366 -29.102 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.532 87.007 -28.634 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.681 85.572 -31.361 1.00 0.00 H new ATOM 0 HG22 VAL A 118 13.166 85.824 -30.462 1.00 0.00 H new ATOM 0 HG23 VAL A 118 13.313 86.401 -32.140 1.00 0.00 H new ATOM 1708 N VAL A 119 14.494 90.456 -31.268 1.00 0.00 N ATOM 1709 CA VAL A 119 15.089 91.787 -31.208 1.00 0.00 C ATOM 1710 C VAL A 119 14.014 92.867 -31.156 1.00 0.00 C ATOM 1711 O VAL A 119 14.211 93.926 -30.561 1.00 0.00 O ATOM 1712 CB VAL A 119 16.004 92.046 -32.420 1.00 0.00 C ATOM 1713 CG1 VAL A 119 16.046 93.531 -32.747 1.00 0.00 C ATOM 1714 CG2 VAL A 119 17.402 91.510 -32.155 1.00 0.00 C ATOM 0 H VAL A 119 14.686 89.946 -32.131 1.00 0.00 H new ATOM 0 HA VAL A 119 15.685 91.828 -30.296 1.00 0.00 H new ATOM 0 HB VAL A 119 15.596 91.519 -33.283 1.00 0.00 H new ATOM 0 HG11 VAL A 119 16.697 93.696 -33.606 1.00 0.00 H new ATOM 0 HG12 VAL A 119 15.041 93.881 -32.981 1.00 0.00 H new ATOM 0 HG13 VAL A 119 16.431 94.082 -31.889 1.00 0.00 H new ATOM 0 HG21 VAL A 119 18.035 91.701 -33.021 1.00 0.00 H new ATOM 0 HG22 VAL A 119 17.823 92.007 -31.281 1.00 0.00 H new ATOM 0 HG23 VAL A 119 17.352 90.437 -31.972 1.00 0.00 H new ATOM 1724 N HIS A 120 12.874 92.590 -31.783 1.00 0.00 N ATOM 1725 CA HIS A 120 11.764 93.540 -31.807 1.00 0.00 C ATOM 1726 C HIS A 120 10.517 92.931 -31.173 1.00 0.00 C ATOM 1727 O HIS A 120 9.402 93.159 -31.640 1.00 0.00 O ATOM 1728 CB HIS A 120 11.465 93.967 -33.243 1.00 0.00 C ATOM 1729 CG HIS A 120 11.124 95.419 -33.377 1.00 0.00 C ATOM 1730 ND1 HIS A 120 11.924 96.326 -34.037 1.00 0.00 N ATOM 1731 CD2 HIS A 120 10.054 96.122 -32.928 1.00 0.00 C ATOM 1732 CE1 HIS A 120 11.367 97.521 -33.990 1.00 0.00 C ATOM 1733 NE2 HIS A 120 10.229 97.425 -33.322 1.00 0.00 N ATOM 0 H HIS A 120 12.694 91.718 -32.280 1.00 0.00 H new ATOM 0 HA HIS A 120 12.053 94.417 -31.228 1.00 0.00 H new ATOM 0 HB2 HIS A 120 12.331 93.747 -33.867 1.00 0.00 H new ATOM 0 HB3 HIS A 120 10.637 93.371 -33.626 1.00 0.00 H new ATOM 0 HD2 HIS A 120 9.220 95.729 -32.365 1.00 0.00 H new ATOM 0 HE1 HIS A 120 11.771 98.424 -34.423 1.00 0.00 H new ATOM 0 HE2 HIS A 120 9.587 98.194 -33.131 1.00 0.00 H new ATOM 1741 N GLU A 121 10.716 92.160 -30.110 1.00 0.00 N ATOM 1742 CA GLU A 121 9.604 91.520 -29.415 1.00 0.00 C ATOM 1743 C GLU A 121 8.661 92.562 -28.820 1.00 0.00 C ATOM 1744 O GLU A 121 7.523 92.257 -28.467 1.00 0.00 O ATOM 1745 CB GLU A 121 10.129 90.601 -28.307 1.00 0.00 C ATOM 1746 CG GLU A 121 9.095 89.610 -27.800 1.00 0.00 C ATOM 1747 CD GLU A 121 9.667 88.638 -26.787 1.00 0.00 C ATOM 1748 OE1 GLU A 121 10.857 88.278 -26.918 1.00 0.00 O ATOM 1749 OE2 GLU A 121 8.927 88.235 -25.866 1.00 0.00 O1- ATOM 0 H GLU A 121 11.634 91.963 -29.711 1.00 0.00 H new ATOM 0 HA GLU A 121 9.049 90.925 -30.141 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.994 90.052 -28.680 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.475 91.212 -27.473 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.266 90.155 -27.348 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.687 89.052 -28.643 1.00 0.00 H new