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 43 HIS : no HD1:sc= -0.555 K(o=-1.2,f=-1.8) USER MOD Set 1.2: A 48 HIS : no HD1:sc= -0.677 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 34 SER OG : rot -75:sc= 1.2 USER MOD Set 2.2: A 39 THR OG1 : rot 173:sc= 0.89 USER MOD Single : A 15 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.5) USER MOD Single : A 19 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.6!) USER MOD Single : A 22 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 125:sc= 1.03 USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.654) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0332) USER MOD Single : A 46 HIS : no HD1:sc= -0.587 K(o=-0.59,f=-2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 106:sc= 1.15 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 180:sc= 0.0157 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 181 N VAL A 14 -10.832 9.619 -20.280 1.00 0.00 N ATOM 182 CA VAL A 14 -9.605 10.228 -20.780 1.00 0.00 C ATOM 183 C VAL A 14 -9.714 10.536 -22.269 1.00 0.00 C ATOM 184 O VAL A 14 -8.936 11.324 -22.807 1.00 0.00 O ATOM 185 CB VAL A 14 -8.389 9.312 -20.543 1.00 0.00 C ATOM 186 CG1 VAL A 14 -8.252 8.979 -19.066 1.00 0.00 C ATOM 187 CG2 VAL A 14 -8.504 8.045 -21.377 1.00 0.00 C ATOM 0 HA VAL A 14 -9.463 11.158 -20.229 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.490 9.843 -20.856 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.388 8.331 -18.918 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.118 9.899 -18.497 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.152 8.468 -18.723 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.636 7.411 -21.196 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.411 7.508 -21.099 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.548 8.308 -22.434 1.00 0.00 H new ATOM 197 N GLN A 15 -10.681 9.908 -22.929 1.00 0.00 N ATOM 198 CA GLN A 15 -10.891 10.115 -24.358 1.00 0.00 C ATOM 199 C GLN A 15 -11.996 11.137 -24.603 1.00 0.00 C ATOM 200 O GLN A 15 -11.823 12.081 -25.373 1.00 0.00 O ATOM 201 CB GLN A 15 -11.242 8.792 -25.040 1.00 0.00 C ATOM 202 CG GLN A 15 -11.119 8.838 -26.555 1.00 0.00 C ATOM 203 CD GLN A 15 -9.809 8.257 -27.052 1.00 0.00 C ATOM 204 OE1 GLN A 15 -8.877 8.044 -26.275 1.00 0.00 O ATOM 205 NE2 GLN A 15 -9.732 7.996 -28.351 1.00 0.00 N ATOM 0 H GLN A 15 -11.332 9.252 -22.498 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.965 10.500 -24.784 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.589 8.009 -24.654 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.262 8.515 -24.775 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.948 8.288 -27.000 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.205 9.871 -26.892 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.529 8.188 -28.958 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.876 7.603 -28.742 1.00 0.00 H new ATOM 214 N GLY A 16 -13.133 10.942 -23.942 1.00 0.00 N ATOM 215 CA GLY A 16 -14.251 11.855 -24.103 1.00 0.00 C ATOM 216 C GLY A 16 -13.951 13.239 -23.563 1.00 0.00 C ATOM 217 O GLY A 16 -14.401 14.241 -24.120 1.00 0.00 O ATOM 0 H GLY A 16 -13.300 10.169 -23.298 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.507 11.928 -25.160 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.124 11.450 -23.591 1.00 0.00 H new ATOM 221 N ILE A 17 -13.189 13.296 -22.477 1.00 0.00 N ATOM 222 CA ILE A 17 -12.830 14.569 -21.862 1.00 0.00 C ATOM 223 C ILE A 17 -11.638 15.205 -22.568 1.00 0.00 C ATOM 224 O ILE A 17 -11.422 16.413 -22.478 1.00 0.00 O ATOM 225 CB ILE A 17 -12.496 14.398 -20.369 1.00 0.00 C ATOM 226 CG1 ILE A 17 -13.661 13.729 -19.636 1.00 0.00 C ATOM 227 CG2 ILE A 17 -12.172 15.745 -19.741 1.00 0.00 C ATOM 228 CD1 ILE A 17 -13.379 13.457 -18.175 1.00 0.00 C ATOM 0 H ILE A 17 -12.808 12.476 -22.004 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.697 15.222 -21.960 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.619 13.757 -20.280 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.543 14.365 -19.715 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.900 12.789 -20.133 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.938 15.607 -18.685 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.314 16.186 -20.248 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.032 16.408 -19.839 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.248 12.982 -17.719 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.517 12.796 -18.088 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.169 14.397 -17.664 1.00 0.00 H new ATOM 240 N ILE A 18 -10.868 14.382 -23.274 1.00 0.00 N ATOM 241 CA ILE A 18 -9.700 14.864 -24.000 1.00 0.00 C ATOM 242 C ILE A 18 -10.102 15.825 -25.114 1.00 0.00 C ATOM 243 O ILE A 18 -9.394 16.789 -25.403 1.00 0.00 O ATOM 244 CB ILE A 18 -8.895 13.700 -24.605 1.00 0.00 C ATOM 245 CG1 ILE A 18 -7.542 13.565 -23.901 1.00 0.00 C ATOM 246 CG2 ILE A 18 -8.698 13.911 -26.101 1.00 0.00 C ATOM 247 CD1 ILE A 18 -6.653 14.777 -24.064 1.00 0.00 C ATOM 0 H ILE A 18 -11.033 13.379 -23.358 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.075 15.391 -23.279 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.456 12.777 -24.457 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.710 13.388 -22.839 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.024 12.689 -24.292 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.127 13.079 -26.514 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.670 13.963 -26.592 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.156 14.842 -26.269 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.712 14.611 -23.540 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.454 14.943 -25.123 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.151 15.652 -23.647 1.00 0.00 H new ATOM 259 N ASN A 19 -11.245 15.553 -25.737 1.00 0.00 N ATOM 260 CA ASN A 19 -11.742 16.394 -26.818 1.00 0.00 C ATOM 261 C ASN A 19 -12.729 17.430 -26.293 1.00 0.00 C ATOM 262 O ASN A 19 -12.925 18.483 -26.902 1.00 0.00 O ATOM 263 CB ASN A 19 -12.412 15.535 -27.893 1.00 0.00 C ATOM 264 CG ASN A 19 -11.564 15.407 -29.144 1.00 0.00 C ATOM 265 OD1 ASN A 19 -10.359 15.664 -29.120 1.00 0.00 O ATOM 266 ND2 ASN A 19 -12.191 15.008 -30.245 1.00 0.00 N ATOM 0 H ASN A 19 -11.843 14.758 -25.511 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.892 16.918 -27.256 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.611 14.542 -27.489 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.376 15.972 -28.154 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.673 14.903 -31.117 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.190 14.806 -30.218 1.00 0.00 H new ATOM 273 N PHE A 20 -13.348 17.129 -25.158 1.00 0.00 N ATOM 274 CA PHE A 20 -14.316 18.033 -24.547 1.00 0.00 C ATOM 275 C PHE A 20 -13.611 19.122 -23.745 1.00 0.00 C ATOM 276 O PHE A 20 -14.065 20.265 -23.699 1.00 0.00 O ATOM 277 CB PHE A 20 -15.274 17.256 -23.644 1.00 0.00 C ATOM 278 CG PHE A 20 -16.605 16.972 -24.282 1.00 0.00 C ATOM 279 CD1 PHE A 20 -17.335 17.989 -24.873 1.00 0.00 C ATOM 280 CD2 PHE A 20 -17.125 15.688 -24.290 1.00 0.00 C ATOM 281 CE1 PHE A 20 -18.560 17.732 -25.462 1.00 0.00 C ATOM 282 CE2 PHE A 20 -18.345 15.424 -24.878 1.00 0.00 C ATOM 283 CZ PHE A 20 -19.066 16.447 -25.462 1.00 0.00 C ATOM 0 H PHE A 20 -13.197 16.263 -24.640 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.887 18.507 -25.345 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.808 16.312 -23.360 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.434 17.821 -22.726 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -16.943 18.995 -24.874 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -16.569 14.884 -23.831 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -19.119 18.534 -25.921 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -18.736 14.417 -24.882 1.00 0.00 H new ATOM 0 HZ PHE A 20 -20.024 16.242 -25.918 1.00 0.00 H new ATOM 293 N GLU A 21 -12.499 18.757 -23.115 1.00 0.00 N ATOM 294 CA GLU A 21 -11.733 19.703 -22.312 1.00 0.00 C ATOM 295 C GLU A 21 -10.760 20.493 -23.183 1.00 0.00 C ATOM 296 O GLU A 21 -10.179 21.484 -22.741 1.00 0.00 O ATOM 297 CB GLU A 21 -10.966 18.968 -21.211 1.00 0.00 C ATOM 298 CG GLU A 21 -10.511 19.871 -20.078 1.00 0.00 C ATOM 299 CD GLU A 21 -9.126 19.518 -19.569 1.00 0.00 C ATOM 300 OE1 GLU A 21 -8.861 18.316 -19.359 1.00 0.00 O ATOM 301 OE2 GLU A 21 -8.310 20.444 -19.378 1.00 0.00 O1- ATOM 0 H GLU A 21 -12.109 17.815 -23.145 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.433 20.401 -21.853 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.599 18.179 -20.804 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.094 18.483 -21.650 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.515 20.906 -20.420 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.224 19.804 -19.256 1.00 0.00 H new ATOM 308 N GLN A 22 -10.587 20.046 -24.423 1.00 0.00 N ATOM 309 CA GLN A 22 -9.684 20.709 -25.355 1.00 0.00 C ATOM 310 C GLN A 22 -10.455 21.607 -26.315 1.00 0.00 C ATOM 311 O GLN A 22 -10.004 22.696 -26.664 1.00 0.00 O ATOM 312 CB GLN A 22 -8.879 19.674 -26.143 1.00 0.00 C ATOM 313 CG GLN A 22 -7.686 19.122 -25.379 1.00 0.00 C ATOM 314 CD GLN A 22 -6.743 18.330 -26.265 1.00 0.00 C ATOM 315 OE1 GLN A 22 -6.738 18.490 -27.484 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.939 17.469 -25.651 1.00 0.00 N ATOM 0 H GLN A 22 -11.061 19.227 -24.805 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.999 21.329 -24.777 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.536 18.849 -26.420 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.528 20.128 -27.070 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.141 19.946 -24.919 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.041 18.484 -24.570 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.978 17.369 -24.637 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.283 16.908 -26.194 1.00 0.00 H new ATOM 325 N LYS A 23 -11.627 21.142 -26.741 1.00 0.00 N ATOM 326 CA LYS A 23 -12.464 21.903 -27.660 1.00 0.00 C ATOM 327 C LYS A 23 -13.227 22.998 -26.922 1.00 0.00 C ATOM 328 O LYS A 23 -13.413 24.096 -27.444 1.00 0.00 O ATOM 329 CB LYS A 23 -13.449 20.973 -28.373 1.00 0.00 C ATOM 330 CG LYS A 23 -12.785 20.019 -29.352 1.00 0.00 C ATOM 331 CD LYS A 23 -12.071 20.768 -30.463 1.00 0.00 C ATOM 332 CE LYS A 23 -10.566 20.557 -30.401 1.00 0.00 C ATOM 333 NZ LYS A 23 -9.821 21.694 -31.010 1.00 0.00 N1+ ATOM 0 H LYS A 23 -12.017 20.241 -26.463 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.815 22.372 -28.399 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.994 20.394 -27.627 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.183 21.576 -28.907 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.072 19.389 -28.820 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.536 19.357 -29.783 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.447 20.432 -31.429 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.294 21.832 -30.387 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.259 20.436 -29.362 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.307 19.634 -30.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.799 21.512 -30.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.095 21.794 -32.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.048 22.571 -30.499 1.00 0.00 H new ATOM 347 N GLU A 24 -13.665 22.691 -25.704 1.00 0.00 N ATOM 348 CA GLU A 24 -14.406 23.651 -24.896 1.00 0.00 C ATOM 349 C GLU A 24 -13.456 24.548 -24.108 1.00 0.00 C ATOM 350 O GLU A 24 -13.881 25.302 -23.232 1.00 0.00 O ATOM 351 CB GLU A 24 -15.349 22.921 -23.938 1.00 0.00 C ATOM 352 CG GLU A 24 -16.707 23.592 -23.791 1.00 0.00 C ATOM 353 CD GLU A 24 -17.822 22.597 -23.530 1.00 0.00 C ATOM 354 OE1 GLU A 24 -18.352 22.031 -24.507 1.00 0.00 O ATOM 355 OE2 GLU A 24 -18.162 22.386 -22.346 1.00 0.00 O1- ATOM 0 H GLU A 24 -13.519 21.786 -25.257 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.994 24.277 -25.568 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.494 21.900 -24.292 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.878 22.855 -22.957 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.667 24.311 -22.972 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.931 24.154 -24.698 1.00 0.00 H new ATOM 362 N SER A 25 -12.168 24.461 -24.426 1.00 0.00 N ATOM 363 CA SER A 25 -11.157 25.259 -23.746 1.00 0.00 C ATOM 364 C SER A 25 -10.446 26.187 -24.728 1.00 0.00 C ATOM 365 O SER A 25 -9.410 26.768 -24.410 1.00 0.00 O ATOM 366 CB SER A 25 -10.137 24.350 -23.058 1.00 0.00 C ATOM 367 OG SER A 25 -10.602 23.936 -21.784 1.00 0.00 O ATOM 0 H SER A 25 -11.801 23.845 -25.151 1.00 0.00 H new ATOM 0 HA SER A 25 -11.657 25.868 -22.993 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.945 23.476 -23.681 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.190 24.878 -22.949 1.00 0.00 H new ATOM 0 HG SER A 25 -10.596 22.957 -21.736 1.00 0.00 H new ATOM 424 N LYS A 30 -13.733 30.155 -26.477 1.00 0.00 N ATOM 425 CA LYS A 30 -12.845 31.311 -26.452 1.00 0.00 C ATOM 426 C LYS A 30 -12.876 32.047 -27.787 1.00 0.00 C ATOM 427 O LYS A 30 -12.706 33.266 -27.839 1.00 0.00 O ATOM 428 CB LYS A 30 -11.415 30.874 -26.131 1.00 0.00 C ATOM 429 CG LYS A 30 -11.129 30.777 -24.641 1.00 0.00 C ATOM 430 CD LYS A 30 -10.543 29.424 -24.272 1.00 0.00 C ATOM 431 CE LYS A 30 -10.595 29.186 -22.772 1.00 0.00 C ATOM 432 NZ LYS A 30 -11.899 28.608 -22.347 1.00 0.00 N1+ ATOM 0 HA LYS A 30 -13.193 31.990 -25.674 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.228 29.904 -26.592 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.718 31.581 -26.581 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.435 31.566 -24.351 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.050 30.940 -24.081 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.093 28.636 -24.786 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.510 29.368 -24.615 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.788 28.513 -22.483 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.427 30.127 -22.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.776 28.094 -21.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.591 29.373 -22.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.243 27.952 -23.077 1.00 0.00 H new ATOM 446 N VAL A 31 -13.094 31.301 -28.864 1.00 0.00 N ATOM 447 CA VAL A 31 -13.148 31.885 -30.200 1.00 0.00 C ATOM 448 C VAL A 31 -14.368 32.785 -30.357 1.00 0.00 C ATOM 449 O VAL A 31 -14.480 33.531 -31.331 1.00 0.00 O ATOM 450 CB VAL A 31 -13.186 30.794 -31.289 1.00 0.00 C ATOM 451 CG1 VAL A 31 -13.194 31.422 -32.672 1.00 0.00 C ATOM 452 CG2 VAL A 31 -12.007 29.845 -31.131 1.00 0.00 C ATOM 0 H VAL A 31 -13.236 30.291 -28.839 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.243 32.479 -30.322 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.105 30.219 -31.173 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.221 30.637 -33.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.073 32.058 -32.778 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.294 32.022 -32.804 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.048 29.081 -31.907 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.076 30.404 -31.221 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.051 29.370 -30.151 1.00 0.00 H new ATOM 462 N TRP A 32 -15.277 32.714 -29.392 1.00 0.00 N ATOM 463 CA TRP A 32 -16.489 33.524 -29.421 1.00 0.00 C ATOM 464 C TRP A 32 -16.163 35.001 -29.217 1.00 0.00 C ATOM 465 O TRP A 32 -17.032 35.862 -29.343 1.00 0.00 O ATOM 466 CB TRP A 32 -17.471 33.052 -28.347 1.00 0.00 C ATOM 467 CG TRP A 32 -18.511 32.107 -28.867 1.00 0.00 C ATOM 468 CD1 TRP A 32 -18.344 30.784 -29.159 1.00 0.00 C ATOM 469 CD2 TRP A 32 -19.878 32.416 -29.156 1.00 0.00 C ATOM 470 NE1 TRP A 32 -19.526 30.252 -29.614 1.00 0.00 N ATOM 471 CE2 TRP A 32 -20.482 31.231 -29.621 1.00 0.00 C ATOM 472 CE3 TRP A 32 -20.652 33.575 -29.068 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -21.822 31.174 -29.995 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -21.983 33.520 -29.439 1.00 0.00 C ATOM 475 CH2 TRP A 32 -22.557 32.327 -29.898 1.00 0.00 C ATOM 0 H TRP A 32 -15.198 32.103 -28.579 1.00 0.00 H new ATOM 0 HA TRP A 32 -16.951 33.405 -30.401 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -16.915 32.564 -27.546 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -17.965 33.920 -27.910 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -17.420 30.237 -29.049 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -19.668 29.283 -29.900 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -20.218 34.499 -28.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -22.266 30.255 -30.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -22.590 34.411 -29.374 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -23.599 32.316 -30.181 1.00 0.00 H new ATOM 486 N GLY A 33 -14.903 35.284 -28.900 1.00 0.00 N ATOM 487 CA GLY A 33 -14.485 36.657 -28.685 1.00 0.00 C ATOM 488 C GLY A 33 -13.630 36.814 -27.443 1.00 0.00 C ATOM 489 O GLY A 33 -13.398 37.930 -26.977 1.00 0.00 O ATOM 0 H GLY A 33 -14.166 34.588 -28.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.926 37.004 -29.554 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.366 37.293 -28.599 1.00 0.00 H new ATOM 493 N SER A 34 -13.161 35.693 -26.903 1.00 0.00 N ATOM 494 CA SER A 34 -12.331 35.709 -25.705 1.00 0.00 C ATOM 495 C SER A 34 -10.885 36.049 -26.050 1.00 0.00 C ATOM 496 O SER A 34 -10.357 37.075 -25.618 1.00 0.00 O ATOM 497 CB SER A 34 -12.393 34.355 -24.996 1.00 0.00 C ATOM 498 OG SER A 34 -11.594 34.354 -23.828 1.00 0.00 O ATOM 0 H SER A 34 -13.342 34.762 -27.277 1.00 0.00 H new ATOM 0 HA SER A 34 -12.718 36.478 -25.037 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.426 34.125 -24.734 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.054 33.571 -25.673 1.00 0.00 H new ATOM 0 HG SER A 34 -10.648 34.294 -24.079 1.00 0.00 H new ATOM 504 N ILE A 35 -10.250 35.183 -26.832 1.00 0.00 N ATOM 505 CA ILE A 35 -8.865 35.391 -27.236 1.00 0.00 C ATOM 506 C ILE A 35 -8.698 36.722 -27.960 1.00 0.00 C ATOM 507 O ILE A 35 -7.583 37.219 -28.120 1.00 0.00 O ATOM 508 CB ILE A 35 -8.369 34.255 -28.152 1.00 0.00 C ATOM 509 CG1 ILE A 35 -9.391 33.976 -29.255 1.00 0.00 C ATOM 510 CG2 ILE A 35 -8.105 32.997 -27.338 1.00 0.00 C ATOM 511 CD1 ILE A 35 -8.877 33.055 -30.338 1.00 0.00 C ATOM 0 H ILE A 35 -10.673 34.330 -27.199 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.268 35.399 -26.324 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.435 34.566 -28.619 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.283 33.536 -28.809 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.693 34.921 -29.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.755 32.203 -27.998 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.345 33.204 -26.585 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.026 32.681 -26.847 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.655 32.902 -31.086 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.002 33.502 -30.811 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.602 32.096 -29.900 1.00 0.00 H new ATOM 523 N LYS A 36 -9.813 37.296 -28.396 1.00 0.00 N ATOM 524 CA LYS A 36 -9.794 38.572 -29.101 1.00 0.00 C ATOM 525 C LYS A 36 -10.589 39.628 -28.339 1.00 0.00 C ATOM 526 O LYS A 36 -10.847 40.715 -28.853 1.00 0.00 O ATOM 527 CB LYS A 36 -10.366 38.408 -30.512 1.00 0.00 C ATOM 528 CG LYS A 36 -11.882 38.319 -30.547 1.00 0.00 C ATOM 529 CD LYS A 36 -12.357 37.311 -31.578 1.00 0.00 C ATOM 530 CE LYS A 36 -11.950 37.718 -32.986 1.00 0.00 C ATOM 531 NZ LYS A 36 -10.921 36.802 -33.552 1.00 0.00 N1+ ATOM 0 H LYS A 36 -10.744 36.897 -28.273 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.758 38.903 -29.171 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.046 39.250 -31.125 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.947 37.508 -30.963 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.254 38.036 -29.562 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.300 39.299 -30.776 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.941 36.330 -31.347 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.442 37.218 -31.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.828 37.721 -33.632 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.562 38.736 -32.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.317 37.327 -34.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.337 36.418 -32.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.390 36.021 -34.053 1.00 0.00 H new ATOM 545 N GLY A 37 -10.973 39.300 -27.109 1.00 0.00 N ATOM 546 CA GLY A 37 -11.733 40.230 -26.296 1.00 0.00 C ATOM 547 C GLY A 37 -11.450 40.072 -24.815 1.00 0.00 C ATOM 548 O GLY A 37 -10.865 40.958 -24.189 1.00 0.00 O ATOM 0 H GLY A 37 -10.771 38.406 -26.661 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.498 41.250 -26.601 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.797 40.080 -26.477 1.00 0.00 H new ATOM 552 N LEU A 38 -11.867 38.943 -24.252 1.00 0.00 N ATOM 553 CA LEU A 38 -11.655 38.673 -22.834 1.00 0.00 C ATOM 554 C LEU A 38 -10.179 38.432 -22.540 1.00 0.00 C ATOM 555 O LEU A 38 -9.563 39.159 -21.758 1.00 0.00 O ATOM 556 CB LEU A 38 -12.480 37.458 -22.400 1.00 0.00 C ATOM 557 CG LEU A 38 -13.309 37.631 -21.126 1.00 0.00 C ATOM 558 CD1 LEU A 38 -14.044 36.344 -20.788 1.00 0.00 C ATOM 559 CD2 LEU A 38 -12.420 38.059 -19.966 1.00 0.00 C ATOM 0 H LEU A 38 -12.353 38.201 -24.755 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.979 39.547 -22.269 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.153 37.191 -23.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.803 36.616 -22.258 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.049 38.413 -21.300 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.628 36.487 -19.879 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.710 36.079 -21.609 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.322 35.542 -20.633 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.026 38.177 -19.068 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.658 37.299 -19.792 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.939 39.007 -20.207 1.00 0.00 H new ATOM 571 N THR A 39 -9.615 37.408 -23.171 1.00 0.00 N ATOM 572 CA THR A 39 -8.209 37.071 -22.978 1.00 0.00 C ATOM 573 C THR A 39 -7.301 38.076 -23.679 1.00 0.00 C ATOM 574 O THR A 39 -6.121 38.192 -23.352 1.00 0.00 O ATOM 575 CB THR A 39 -7.892 35.659 -23.501 1.00 0.00 C ATOM 576 OG1 THR A 39 -9.095 35.019 -23.945 1.00 0.00 O ATOM 577 CG2 THR A 39 -7.231 34.816 -22.423 1.00 0.00 C ATOM 0 H THR A 39 -10.110 36.797 -23.821 1.00 0.00 H new ATOM 0 HA THR A 39 -8.022 37.103 -21.905 1.00 0.00 H new ATOM 0 HB THR A 39 -7.201 35.754 -24.338 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.872 34.169 -24.379 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.017 33.823 -22.818 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.301 35.290 -22.110 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.900 34.730 -21.567 1.00 0.00 H new ATOM 585 N GLU A 40 -7.862 38.801 -24.643 1.00 0.00 N ATOM 586 CA GLU A 40 -7.101 39.797 -25.391 1.00 0.00 C ATOM 587 C GLU A 40 -7.203 41.167 -24.728 1.00 0.00 C ATOM 588 O GLU A 40 -6.413 42.065 -25.012 1.00 0.00 O ATOM 589 CB GLU A 40 -7.602 39.878 -26.833 1.00 0.00 C ATOM 590 CG GLU A 40 -7.577 41.283 -27.409 1.00 0.00 C ATOM 591 CD GLU A 40 -7.861 41.308 -28.899 1.00 0.00 C ATOM 592 OE1 GLU A 40 -7.231 40.525 -29.638 1.00 0.00 O ATOM 593 OE2 GLU A 40 -8.718 42.112 -29.324 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.839 38.718 -24.924 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.055 39.490 -25.395 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.990 39.227 -27.458 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.622 39.495 -26.876 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.315 41.897 -26.892 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.601 41.731 -27.221 1.00 0.00 H new ATOM 600 N GLY A 41 -8.183 41.320 -23.842 1.00 0.00 N ATOM 601 CA GLY A 41 -8.370 42.582 -23.153 1.00 0.00 C ATOM 602 C GLY A 41 -7.962 42.515 -21.694 1.00 0.00 C ATOM 603 O GLY A 41 -7.601 43.528 -21.096 1.00 0.00 O ATOM 0 H GLY A 41 -8.851 40.591 -23.590 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.788 43.355 -23.654 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.417 42.877 -23.221 1.00 0.00 H new ATOM 607 N LEU A 42 -8.024 41.319 -21.121 1.00 0.00 N ATOM 608 CA LEU A 42 -7.660 41.120 -19.722 1.00 0.00 C ATOM 609 C LEU A 42 -6.188 40.744 -19.590 1.00 0.00 C ATOM 610 O LEU A 42 -5.498 41.202 -18.679 1.00 0.00 O ATOM 611 CB LEU A 42 -8.535 40.034 -19.095 1.00 0.00 C ATOM 612 CG LEU A 42 -8.055 39.477 -17.754 1.00 0.00 C ATOM 613 CD1 LEU A 42 -9.124 39.654 -16.688 1.00 0.00 C ATOM 614 CD2 LEU A 42 -7.674 38.011 -17.892 1.00 0.00 C ATOM 0 H LEU A 42 -8.323 40.471 -21.603 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.824 42.059 -19.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.539 40.437 -18.960 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.616 39.208 -19.801 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.170 40.035 -17.447 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.764 39.252 -15.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.348 40.714 -16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.028 39.123 -16.987 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.335 37.631 -16.928 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.541 37.439 -18.223 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.873 37.911 -18.624 1.00 0.00 H new ATOM 626 N HIS A 43 -5.711 39.909 -20.507 1.00 0.00 N ATOM 627 CA HIS A 43 -4.320 39.472 -20.496 1.00 0.00 C ATOM 628 C HIS A 43 -3.610 39.884 -21.783 1.00 0.00 C ATOM 629 O HIS A 43 -2.381 39.885 -21.852 1.00 0.00 O ATOM 630 CB HIS A 43 -4.240 37.955 -20.319 1.00 0.00 C ATOM 631 CG HIS A 43 -3.208 37.519 -19.325 1.00 0.00 C ATOM 632 ND1 HIS A 43 -3.269 37.844 -17.986 1.00 0.00 N ATOM 633 CD2 HIS A 43 -2.084 36.783 -19.483 1.00 0.00 C ATOM 634 CE1 HIS A 43 -2.226 37.325 -17.363 1.00 0.00 C ATOM 635 NE2 HIS A 43 -1.492 36.676 -18.247 1.00 0.00 N ATOM 0 H HIS A 43 -6.268 39.521 -21.268 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.821 39.955 -19.656 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.215 37.583 -20.004 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.020 37.497 -21.283 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.720 36.359 -20.407 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.011 37.416 -16.309 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.626 36.176 -18.046 1.00 0.00 H new ATOM 643 N GLY A 44 -4.393 40.233 -22.799 1.00 0.00 N ATOM 644 CA GLY A 44 -3.821 40.641 -24.069 1.00 0.00 C ATOM 645 C GLY A 44 -3.809 42.147 -24.242 1.00 0.00 C ATOM 646 O GLY A 44 -3.682 42.650 -25.359 1.00 0.00 O ATOM 0 H GLY A 44 -5.412 40.241 -22.766 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.802 40.262 -24.144 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.390 40.189 -24.882 1.00 0.00 H new ATOM 650 N PHE A 45 -3.947 42.871 -23.134 1.00 0.00 N ATOM 651 CA PHE A 45 -3.953 44.327 -23.170 1.00 0.00 C ATOM 652 C PHE A 45 -3.942 44.906 -21.757 1.00 0.00 C ATOM 653 O PHE A 45 -3.404 45.988 -21.522 1.00 0.00 O ATOM 654 CB PHE A 45 -5.181 44.836 -23.929 1.00 0.00 C ATOM 655 CG PHE A 45 -5.553 46.249 -23.591 1.00 0.00 C ATOM 656 CD1 PHE A 45 -6.411 46.520 -22.534 1.00 0.00 C ATOM 657 CD2 PHE A 45 -5.048 47.308 -24.326 1.00 0.00 C ATOM 658 CE1 PHE A 45 -6.756 47.821 -22.222 1.00 0.00 C ATOM 659 CE2 PHE A 45 -5.388 48.613 -24.019 1.00 0.00 C ATOM 660 CZ PHE A 45 -6.241 48.868 -22.964 1.00 0.00 C ATOM 0 H PHE A 45 -4.056 42.471 -22.202 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.052 44.655 -23.688 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.991 44.766 -25.000 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.028 44.185 -23.712 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.813 45.706 -21.950 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.379 47.112 -25.151 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.427 48.020 -21.400 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.988 49.429 -24.602 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.506 49.886 -22.718 1.00 0.00 H new ATOM 670 N HIS A 46 -4.537 44.175 -20.820 1.00 0.00 N ATOM 671 CA HIS A 46 -4.597 44.613 -19.431 1.00 0.00 C ATOM 672 C HIS A 46 -3.321 44.230 -18.686 1.00 0.00 C ATOM 673 O HIS A 46 -2.680 45.072 -18.057 1.00 0.00 O ATOM 674 CB HIS A 46 -5.812 44.004 -18.732 1.00 0.00 C ATOM 675 CG HIS A 46 -6.913 44.987 -18.479 1.00 0.00 C ATOM 676 ND1 HIS A 46 -8.247 44.686 -18.665 1.00 0.00 N ATOM 677 CD2 HIS A 46 -6.875 46.270 -18.053 1.00 0.00 C ATOM 678 CE1 HIS A 46 -8.980 45.744 -18.364 1.00 0.00 C ATOM 679 NE2 HIS A 46 -8.170 46.719 -17.990 1.00 0.00 N ATOM 0 H HIS A 46 -4.985 43.276 -20.998 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.691 45.699 -19.422 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.199 43.186 -19.340 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.496 43.573 -17.782 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.989 46.837 -17.808 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.057 45.802 -18.415 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.460 47.653 -17.701 1.00 0.00 H new ATOM 687 N VAL A 47 -2.959 42.954 -18.761 1.00 0.00 N ATOM 688 CA VAL A 47 -1.761 42.458 -18.094 1.00 0.00 C ATOM 689 C VAL A 47 -0.546 42.542 -19.012 1.00 0.00 C ATOM 690 O VAL A 47 0.587 42.680 -18.548 1.00 0.00 O ATOM 691 CB VAL A 47 -1.939 41.002 -17.629 1.00 0.00 C ATOM 692 CG1 VAL A 47 -0.668 40.494 -16.964 1.00 0.00 C ATOM 693 CG2 VAL A 47 -3.125 40.884 -16.685 1.00 0.00 C ATOM 0 H VAL A 47 -3.478 42.244 -19.277 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.599 43.092 -17.222 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.137 40.383 -18.504 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.813 39.463 -16.642 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.157 40.540 -17.674 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.437 41.115 -16.099 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.235 39.847 -16.367 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.960 41.516 -15.812 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.032 41.204 -17.198 1.00 0.00 H new ATOM 703 N HIS A 48 -0.791 42.461 -20.316 1.00 0.00 N ATOM 704 CA HIS A 48 0.283 42.530 -21.301 1.00 0.00 C ATOM 705 C HIS A 48 0.072 43.701 -22.254 1.00 0.00 C ATOM 706 O HIS A 48 0.367 43.604 -23.446 1.00 0.00 O ATOM 707 CB HIS A 48 0.364 41.224 -22.089 1.00 0.00 C ATOM 708 CG HIS A 48 0.716 40.035 -21.246 1.00 0.00 C ATOM 709 ND1 HIS A 48 1.924 39.377 -21.339 1.00 0.00 N ATOM 710 CD2 HIS A 48 0.010 39.388 -20.289 1.00 0.00 C ATOM 711 CE1 HIS A 48 1.946 38.377 -20.477 1.00 0.00 C ATOM 712 NE2 HIS A 48 0.795 38.363 -19.827 1.00 0.00 N ATOM 0 H HIS A 48 -1.723 42.348 -20.715 1.00 0.00 H new ATOM 0 HA HIS A 48 1.222 42.683 -20.769 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.594 41.043 -22.576 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.107 41.332 -22.879 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.986 39.634 -19.952 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.764 37.688 -20.328 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.533 37.698 -19.100 1.00 0.00 H new ATOM 720 N GLU A 49 -0.444 44.805 -21.724 1.00 0.00 N ATOM 721 CA GLU A 49 -0.696 45.994 -22.529 1.00 0.00 C ATOM 722 C GLU A 49 0.410 46.197 -23.563 1.00 0.00 C ATOM 723 O GLU A 49 0.140 46.487 -24.728 1.00 0.00 O ATOM 724 CB GLU A 49 -0.805 47.231 -21.636 1.00 0.00 C ATOM 725 CG GLU A 49 -1.759 48.286 -22.170 1.00 0.00 C ATOM 726 CD GLU A 49 -2.527 48.988 -21.068 1.00 0.00 C ATOM 727 OE1 GLU A 49 -3.145 48.292 -20.237 1.00 0.00 O ATOM 728 OE2 GLU A 49 -2.513 50.238 -21.036 1.00 0.00 O1- ATOM 0 H GLU A 49 -0.696 44.901 -20.740 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.640 45.850 -23.054 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.135 46.924 -20.644 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.184 47.673 -21.520 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.196 49.023 -22.742 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.463 47.819 -22.858 1.00 0.00 H new ATOM 1399 N SER A 98 8.731 66.220 -25.074 1.00 0.00 N ATOM 1400 CA SER A 98 7.819 66.439 -23.958 1.00 0.00 C ATOM 1401 C SER A 98 7.507 67.923 -23.794 1.00 0.00 C ATOM 1402 O SER A 98 6.390 68.299 -23.436 1.00 0.00 O ATOM 1403 CB SER A 98 8.421 65.887 -22.664 1.00 0.00 C ATOM 1404 OG SER A 98 7.510 65.026 -22.002 1.00 0.00 O ATOM 0 HA SER A 98 6.889 65.912 -24.172 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.340 65.345 -22.889 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.691 66.712 -22.004 1.00 0.00 H new ATOM 0 HG SER A 98 7.920 64.686 -21.179 1.00 0.00 H new ATOM 1410 N ILE A 99 8.503 68.764 -24.055 1.00 0.00 N ATOM 1411 CA ILE A 99 8.335 70.206 -23.940 1.00 0.00 C ATOM 1412 C ILE A 99 7.116 70.683 -24.721 1.00 0.00 C ATOM 1413 O ILE A 99 6.354 71.525 -24.248 1.00 0.00 O ATOM 1414 CB ILE A 99 9.581 70.961 -24.441 1.00 0.00 C ATOM 1415 CG1 ILE A 99 10.832 70.466 -23.714 1.00 0.00 C ATOM 1416 CG2 ILE A 99 9.406 72.458 -24.249 1.00 0.00 C ATOM 1417 CD1 ILE A 99 10.765 70.637 -22.212 1.00 0.00 C ATOM 0 H ILE A 99 9.435 68.470 -24.348 1.00 0.00 H new ATOM 0 HA ILE A 99 8.191 70.422 -22.881 1.00 0.00 H new ATOM 0 HB ILE A 99 9.703 70.764 -25.506 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.984 69.412 -23.945 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.700 71.004 -24.095 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.295 72.977 -24.608 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.536 72.798 -24.811 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.262 72.675 -23.191 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.685 70.265 -21.762 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.645 71.693 -21.971 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.917 70.076 -21.819 1.00 0.00 H new ATOM 1429 N GLU A 100 6.937 70.137 -25.919 1.00 0.00 N ATOM 1430 CA GLU A 100 5.808 70.507 -26.766 1.00 0.00 C ATOM 1431 C GLU A 100 4.497 69.991 -26.180 1.00 0.00 C ATOM 1432 O GLU A 100 3.459 70.646 -26.281 1.00 0.00 O ATOM 1433 CB GLU A 100 6.000 69.953 -28.180 1.00 0.00 C ATOM 1434 CG GLU A 100 7.403 70.161 -28.728 1.00 0.00 C ATOM 1435 CD GLU A 100 7.398 70.740 -30.130 1.00 0.00 C ATOM 1436 OE1 GLU A 100 7.281 71.977 -30.261 1.00 0.00 O ATOM 1437 OE2 GLU A 100 7.513 69.956 -31.096 1.00 0.00 O1- ATOM 0 H GLU A 100 7.558 69.437 -26.325 1.00 0.00 H new ATOM 0 HA GLU A 100 5.762 71.595 -26.813 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.774 68.887 -28.178 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.283 70.429 -28.849 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.954 70.828 -28.065 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.933 69.208 -28.733 1.00 0.00 H new ATOM 1444 N ASP A 101 4.552 68.814 -25.567 1.00 0.00 N ATOM 1445 CA ASP A 101 3.369 68.209 -24.964 1.00 0.00 C ATOM 1446 C ASP A 101 3.043 68.869 -23.629 1.00 0.00 C ATOM 1447 O ASP A 101 1.941 68.717 -23.103 1.00 0.00 O ATOM 1448 CB ASP A 101 3.581 66.709 -24.769 1.00 0.00 C ATOM 1449 CG ASP A 101 2.535 66.089 -23.862 1.00 0.00 C ATOM 1450 OD1 ASP A 101 1.332 66.299 -24.118 1.00 0.00 O ATOM 1451 OD2 ASP A 101 2.920 65.397 -22.897 1.00 0.00 O1- ATOM 0 H ASP A 101 5.403 68.259 -25.474 1.00 0.00 H new ATOM 0 HA ASP A 101 2.527 68.363 -25.639 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.557 66.213 -25.739 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.571 66.537 -24.347 1.00 0.00 H new ATOM 1456 N SER A 102 4.011 69.602 -23.086 1.00 0.00 N ATOM 1457 CA SER A 102 3.827 70.280 -21.808 1.00 0.00 C ATOM 1458 C SER A 102 3.452 71.744 -22.019 1.00 0.00 C ATOM 1459 O SER A 102 2.591 72.282 -21.323 1.00 0.00 O ATOM 1460 CB SER A 102 5.103 70.186 -20.969 1.00 0.00 C ATOM 1461 OG SER A 102 4.861 69.510 -19.745 1.00 0.00 O ATOM 0 H SER A 102 4.928 69.741 -23.510 1.00 0.00 H new ATOM 0 HA SER A 102 3.013 69.787 -21.277 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.874 69.660 -21.532 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.483 71.187 -20.766 1.00 0.00 H new ATOM 0 HG SER A 102 5.692 69.462 -19.228 1.00 0.00 H new ATOM 1467 N VAL A 103 4.106 72.382 -22.983 1.00 0.00 N ATOM 1468 CA VAL A 103 3.841 73.784 -23.290 1.00 0.00 C ATOM 1469 C VAL A 103 2.405 73.981 -23.760 1.00 0.00 C ATOM 1470 O VAL A 103 1.842 75.070 -23.630 1.00 0.00 O ATOM 1471 CB VAL A 103 4.801 74.314 -24.370 1.00 0.00 C ATOM 1472 CG1 VAL A 103 4.422 73.764 -25.736 1.00 0.00 C ATOM 1473 CG2 VAL A 103 4.804 75.834 -24.379 1.00 0.00 C ATOM 0 H VAL A 103 4.824 71.951 -23.566 1.00 0.00 H new ATOM 0 HA VAL A 103 3.999 74.345 -22.369 1.00 0.00 H new ATOM 0 HB VAL A 103 5.810 73.974 -24.135 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.111 74.149 -26.487 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.476 72.676 -25.718 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.406 74.073 -25.983 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.488 76.192 -25.148 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.799 76.199 -24.589 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.128 76.203 -23.406 1.00 0.00 H new ATOM 1483 N ILE A 104 1.815 72.922 -24.306 1.00 0.00 N ATOM 1484 CA ILE A 104 0.443 72.980 -24.795 1.00 0.00 C ATOM 1485 C ILE A 104 -0.537 72.472 -23.742 1.00 0.00 C ATOM 1486 O ILE A 104 -1.667 72.952 -23.647 1.00 0.00 O ATOM 1487 CB ILE A 104 0.268 72.155 -26.082 1.00 0.00 C ATOM 1488 CG1 ILE A 104 1.187 72.687 -27.184 1.00 0.00 C ATOM 1489 CG2 ILE A 104 -1.183 72.180 -26.536 1.00 0.00 C ATOM 1490 CD1 ILE A 104 1.288 71.769 -28.382 1.00 0.00 C ATOM 0 H ILE A 104 2.266 72.014 -24.421 1.00 0.00 H new ATOM 0 HA ILE A 104 0.230 74.027 -25.013 1.00 0.00 H new ATOM 0 HB ILE A 104 0.544 71.121 -25.873 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.822 73.660 -27.512 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.184 72.843 -26.771 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -1.289 71.592 -27.447 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.816 71.757 -25.756 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.486 73.209 -26.731 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.955 72.209 -29.123 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.682 70.803 -28.068 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.299 71.633 -28.820 1.00 0.00 H new ATOM 1502 N SER A 105 -0.094 71.502 -22.949 1.00 0.00 N ATOM 1503 CA SER A 105 -0.933 70.927 -21.903 1.00 0.00 C ATOM 1504 C SER A 105 -1.035 71.871 -20.708 1.00 0.00 C ATOM 1505 O SER A 105 -2.015 71.846 -19.965 1.00 0.00 O ATOM 1506 CB SER A 105 -0.372 69.577 -21.454 1.00 0.00 C ATOM 1507 OG SER A 105 -0.641 68.567 -22.412 1.00 0.00 O ATOM 0 H SER A 105 0.840 71.098 -23.010 1.00 0.00 H new ATOM 0 HA SER A 105 -1.932 70.779 -22.313 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.704 69.660 -21.301 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.810 69.299 -20.495 1.00 0.00 H new ATOM 0 HG SER A 105 0.184 68.344 -22.892 1.00 0.00 H new ATOM 1513 N LEU A 106 -0.015 72.703 -20.533 1.00 0.00 N ATOM 1514 CA LEU A 106 0.013 73.657 -19.428 1.00 0.00 C ATOM 1515 C LEU A 106 -1.130 74.659 -19.547 1.00 0.00 C ATOM 1516 O LEU A 106 -1.808 74.961 -18.565 1.00 0.00 O ATOM 1517 CB LEU A 106 1.354 74.394 -19.399 1.00 0.00 C ATOM 1518 CG LEU A 106 2.320 73.986 -18.288 1.00 0.00 C ATOM 1519 CD1 LEU A 106 1.697 74.232 -16.921 1.00 0.00 C ATOM 1520 CD2 LEU A 106 2.718 72.525 -18.438 1.00 0.00 C ATOM 0 H LEU A 106 0.803 72.737 -21.141 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.109 73.103 -18.497 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.850 74.242 -20.358 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.157 75.462 -19.307 1.00 0.00 H new ATOM 0 HG LEU A 106 3.218 74.598 -18.371 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.400 73.935 -16.142 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.462 75.291 -16.814 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.783 73.646 -16.827 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.406 72.251 -17.638 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.828 71.898 -18.381 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.205 72.378 -19.402 1.00 0.00 H new ATOM 1532 N SER A 107 -1.340 75.170 -20.757 1.00 0.00 N ATOM 1533 CA SER A 107 -2.399 76.142 -21.003 1.00 0.00 C ATOM 1534 C SER A 107 -3.619 75.469 -21.629 1.00 0.00 C ATOM 1535 O SER A 107 -4.681 76.074 -21.751 1.00 0.00 O ATOM 1536 CB SER A 107 -1.894 77.259 -21.919 1.00 0.00 C ATOM 1537 OG SER A 107 -1.426 76.736 -23.149 1.00 0.00 O ATOM 0 H SER A 107 -0.791 74.927 -21.581 1.00 0.00 H new ATOM 0 HA SER A 107 -2.693 76.572 -20.045 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.697 77.972 -22.105 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.091 77.805 -21.423 1.00 0.00 H new ATOM 0 HG SER A 107 -1.110 77.469 -23.717 1.00 0.00 H new ATOM 1543 N GLY A 108 -3.453 74.208 -22.022 1.00 0.00 N ATOM 1544 CA GLY A 108 -4.546 73.472 -22.629 1.00 0.00 C ATOM 1545 C GLY A 108 -5.195 72.499 -21.666 1.00 0.00 C ATOM 1546 O GLY A 108 -6.181 71.842 -22.004 1.00 0.00 O ATOM 0 H GLY A 108 -2.582 73.685 -21.930 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.296 74.175 -22.991 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.175 72.927 -23.497 1.00 0.00 H new ATOM 1550 N ASP A 109 -4.642 72.402 -20.462 1.00 0.00 N ATOM 1551 CA ASP A 109 -5.174 71.501 -19.445 1.00 0.00 C ATOM 1552 C ASP A 109 -5.282 72.205 -18.097 1.00 0.00 C ATOM 1553 O ASP A 109 -5.462 71.563 -17.062 1.00 0.00 O ATOM 1554 CB ASP A 109 -4.286 70.261 -19.319 1.00 0.00 C ATOM 1555 CG ASP A 109 -5.088 68.974 -19.296 1.00 0.00 C ATOM 1556 OD1 ASP A 109 -5.712 68.645 -20.326 1.00 0.00 O ATOM 1557 OD2 ASP A 109 -5.092 68.297 -18.246 1.00 0.00 O1- ATOM 0 H ASP A 109 -3.825 72.936 -20.166 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.173 71.193 -19.753 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.585 70.234 -20.153 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.694 70.333 -18.407 1.00 0.00 H new ATOM 1562 N HIS A 110 -5.169 73.528 -18.115 1.00 0.00 N ATOM 1563 CA HIS A 110 -5.255 74.321 -16.893 1.00 0.00 C ATOM 1564 C HIS A 110 -6.337 75.387 -17.012 1.00 0.00 C ATOM 1565 O HIS A 110 -6.789 75.941 -16.007 1.00 0.00 O ATOM 1566 CB HIS A 110 -3.906 74.978 -16.594 1.00 0.00 C ATOM 1567 CG HIS A 110 -3.766 75.436 -15.174 1.00 0.00 C ATOM 1568 ND1 HIS A 110 -3.872 76.759 -14.797 1.00 0.00 N ATOM 1569 CD2 HIS A 110 -3.532 74.740 -14.038 1.00 0.00 C ATOM 1570 CE1 HIS A 110 -3.705 76.854 -13.490 1.00 0.00 C ATOM 1571 NE2 HIS A 110 -3.498 75.644 -13.005 1.00 0.00 N ATOM 0 H HIS A 110 -5.018 74.075 -18.962 1.00 0.00 H new ATOM 0 HA HIS A 110 -5.518 73.653 -16.072 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -3.108 74.270 -16.820 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.772 75.832 -17.258 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -3.397 73.671 -13.958 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -3.733 77.768 -12.915 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -3.339 75.417 -12.023 1.00 0.00 H new ATOM 1579 N CYS A 111 -6.751 75.671 -18.241 1.00 0.00 N ATOM 1580 CA CYS A 111 -7.781 76.672 -18.491 1.00 0.00 C ATOM 1581 C CYS A 111 -9.022 76.035 -19.111 1.00 0.00 C ATOM 1582 O CYS A 111 -10.138 76.525 -18.933 1.00 0.00 O ATOM 1583 CB CYS A 111 -7.244 77.770 -19.410 1.00 0.00 C ATOM 1584 SG CYS A 111 -6.960 79.351 -18.583 1.00 0.00 S ATOM 0 H CYS A 111 -6.388 75.221 -19.082 1.00 0.00 H new ATOM 0 HA CYS A 111 -8.061 77.114 -17.535 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -6.308 77.431 -19.854 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -7.949 77.921 -20.228 1.00 0.00 H new ATOM 0 HG CYS A 111 -6.504 80.214 -19.442 1.00 0.00 H new ATOM 1590 N ILE A 112 -8.817 74.942 -19.838 1.00 0.00 N ATOM 1591 CA ILE A 112 -9.918 74.238 -20.483 1.00 0.00 C ATOM 1592 C ILE A 112 -10.321 73.001 -19.689 1.00 0.00 C ATOM 1593 O ILE A 112 -11.507 72.749 -19.472 1.00 0.00 O ATOM 1594 CB ILE A 112 -9.551 73.816 -21.919 1.00 0.00 C ATOM 1595 CG1 ILE A 112 -8.966 75.003 -22.689 1.00 0.00 C ATOM 1596 CG2 ILE A 112 -10.772 73.263 -22.637 1.00 0.00 C ATOM 1597 CD1 ILE A 112 -9.905 76.183 -22.784 1.00 0.00 C ATOM 0 H ILE A 112 -7.899 74.525 -19.995 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.758 74.932 -20.520 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.796 73.031 -21.869 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.043 75.321 -22.204 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -8.701 74.678 -23.695 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -10.497 72.969 -23.650 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.149 72.394 -22.097 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.547 74.028 -22.679 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.424 76.986 -23.342 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.818 75.881 -23.296 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -10.150 76.534 -21.782 1.00 0.00 H new ATOM 1609 N ILE A 113 -9.327 72.233 -19.259 1.00 0.00 N ATOM 1610 CA ILE A 113 -9.579 71.022 -18.486 1.00 0.00 C ATOM 1611 C ILE A 113 -9.413 71.280 -16.993 1.00 0.00 C ATOM 1612 O ILE A 113 -10.339 71.067 -16.208 1.00 0.00 O ATOM 1613 CB ILE A 113 -8.635 69.879 -18.905 1.00 0.00 C ATOM 1614 CG1 ILE A 113 -8.652 69.707 -20.424 1.00 0.00 C ATOM 1615 CG2 ILE A 113 -9.033 68.583 -18.215 1.00 0.00 C ATOM 1616 CD1 ILE A 113 -10.011 69.340 -20.977 1.00 0.00 C ATOM 0 H ILE A 113 -8.341 72.426 -19.432 1.00 0.00 H new ATOM 0 HA ILE A 113 -10.608 70.726 -18.690 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.621 70.134 -18.598 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.318 70.634 -20.890 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.935 68.934 -20.702 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.357 67.785 -18.521 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -8.975 68.713 -17.134 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -10.053 68.321 -18.494 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.947 69.235 -22.060 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.339 68.397 -20.539 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -10.728 70.123 -20.731 1.00 0.00 H new ATOM 1628 N GLY A 114 -8.229 71.741 -16.604 1.00 0.00 N ATOM 1629 CA GLY A 114 -7.963 72.022 -15.204 1.00 0.00 C ATOM 1630 C GLY A 114 -8.895 73.077 -14.640 1.00 0.00 C ATOM 1631 O GLY A 114 -9.009 73.225 -13.422 1.00 0.00 O ATOM 0 H GLY A 114 -7.448 71.925 -17.233 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.066 71.104 -14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.931 72.355 -15.093 1.00 0.00 H new ATOM 1635 N ARG A 115 -9.560 73.812 -15.524 1.00 0.00 N ATOM 1636 CA ARG A 115 -10.483 74.861 -15.106 1.00 0.00 C ATOM 1637 C ARG A 115 -11.793 74.264 -14.603 1.00 0.00 C ATOM 1638 O ARG A 115 -12.459 74.834 -13.739 1.00 0.00 O ATOM 1639 CB ARG A 115 -10.759 75.820 -16.267 1.00 0.00 C ATOM 1640 CG ARG A 115 -11.532 77.064 -15.860 1.00 0.00 C ATOM 1641 CD ARG A 115 -10.896 78.324 -16.424 1.00 0.00 C ATOM 1642 NE ARG A 115 -11.094 79.475 -15.546 1.00 0.00 N ATOM 1643 CZ ARG A 115 -10.872 80.730 -15.922 1.00 0.00 C ATOM 1644 NH1 ARG A 115 -10.449 80.993 -17.149 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 -11.077 81.725 -15.066 1.00 0.00 N ATOM 0 H ARG A 115 -9.477 73.701 -16.535 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.019 75.414 -14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.810 76.121 -16.711 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.319 75.291 -17.039 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.561 76.986 -16.212 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.571 77.130 -14.773 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.829 78.158 -16.569 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.322 78.538 -17.404 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.420 79.306 -14.594 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.293 80.231 -17.809 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.280 81.958 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.405 81.525 -14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.907 82.689 -15.354 1.00 0.00 H new ATOM 1659 N THR A 116 -12.160 73.109 -15.151 1.00 0.00 N ATOM 1660 CA THR A 116 -13.390 72.434 -14.760 1.00 0.00 C ATOM 1661 C THR A 116 -13.105 71.267 -13.824 1.00 0.00 C ATOM 1662 O THR A 116 -13.790 71.082 -12.816 1.00 0.00 O ATOM 1663 CB THR A 116 -14.162 71.916 -15.988 1.00 0.00 C ATOM 1664 OG1 THR A 116 -13.369 72.079 -17.170 1.00 0.00 O ATOM 1665 CG2 THR A 116 -15.481 72.655 -16.151 1.00 0.00 C ATOM 0 H THR A 116 -11.622 72.622 -15.868 1.00 0.00 H new ATOM 0 HA THR A 116 -14.002 73.171 -14.240 1.00 0.00 H new ATOM 0 HB THR A 116 -14.374 70.858 -15.835 1.00 0.00 H new ATOM 0 HG1 THR A 116 -13.866 71.746 -17.946 1.00 0.00 H new ATOM 0 HG21 THR A 116 -16.007 72.271 -17.025 1.00 0.00 H new ATOM 0 HG22 THR A 116 -16.095 72.505 -15.263 1.00 0.00 H new ATOM 0 HG23 THR A 116 -15.288 73.720 -16.282 1.00 0.00 H new ATOM 1673 N LEU A 117 -12.088 70.480 -14.161 1.00 0.00 N ATOM 1674 CA LEU A 117 -11.710 69.329 -13.349 1.00 0.00 C ATOM 1675 C LEU A 117 -11.346 69.757 -11.930 1.00 0.00 C ATOM 1676 O LEU A 117 -11.374 68.952 -11.001 1.00 0.00 O ATOM 1677 CB LEU A 117 -10.531 68.595 -13.989 1.00 0.00 C ATOM 1678 CG LEU A 117 -10.017 67.366 -13.236 1.00 0.00 C ATOM 1679 CD1 LEU A 117 -9.870 66.184 -14.181 1.00 0.00 C ATOM 1680 CD2 LEU A 117 -8.692 67.674 -12.554 1.00 0.00 C ATOM 0 H LEU A 117 -11.511 70.618 -14.991 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.566 68.656 -13.297 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.823 68.286 -14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.707 69.300 -14.100 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.745 67.103 -12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.503 65.319 -13.628 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.838 65.949 -14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.163 66.436 -14.971 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.341 66.789 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.955 67.963 -13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.829 68.491 -11.846 1.00 0.00 H new ATOM 1692 N VAL A 118 -11.009 71.034 -11.773 1.00 0.00 N ATOM 1693 CA VAL A 118 -10.644 71.572 -10.467 1.00 0.00 C ATOM 1694 C VAL A 118 -11.797 72.360 -9.856 1.00 0.00 C ATOM 1695 O VAL A 118 -11.995 72.348 -8.641 1.00 0.00 O ATOM 1696 CB VAL A 118 -9.405 72.484 -10.562 1.00 0.00 C ATOM 1697 CG1 VAL A 118 -9.079 73.084 -9.204 1.00 0.00 C ATOM 1698 CG2 VAL A 118 -8.216 71.711 -11.113 1.00 0.00 C ATOM 0 H VAL A 118 -10.981 71.714 -12.533 1.00 0.00 H new ATOM 0 HA VAL A 118 -10.411 70.721 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.628 73.301 -11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.202 73.725 -9.291 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.926 73.674 -8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.875 72.284 -8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -7.350 72.370 -11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.989 70.873 -10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.456 71.335 -12.108 1.00 0.00 H new ATOM 1708 N VAL A 119 -12.553 73.046 -10.707 1.00 0.00 N ATOM 1709 CA VAL A 119 -13.688 73.841 -10.250 1.00 0.00 C ATOM 1710 C VAL A 119 -14.943 72.984 -10.130 1.00 0.00 C ATOM 1711 O VAL A 119 -15.486 72.808 -9.039 1.00 0.00 O ATOM 1712 CB VAL A 119 -13.969 75.016 -11.204 1.00 0.00 C ATOM 1713 CG1 VAL A 119 -15.281 75.695 -10.842 1.00 0.00 C ATOM 1714 CG2 VAL A 119 -12.819 76.012 -11.176 1.00 0.00 C ATOM 0 H VAL A 119 -12.401 73.068 -11.715 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.426 74.236 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.057 74.625 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.463 76.523 -11.527 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.096 74.975 -10.918 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.225 76.074 -9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -13.035 76.836 -11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -12.697 76.399 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -11.900 75.515 -11.487 1.00 0.00 H new ATOM 1724 N HIS A 120 -15.403 72.456 -11.260 1.00 0.00 N ATOM 1725 CA HIS A 120 -16.596 71.617 -11.283 1.00 0.00 C ATOM 1726 C HIS A 120 -16.221 70.139 -11.280 1.00 0.00 C ATOM 1727 O HIS A 120 -16.840 69.331 -11.973 1.00 0.00 O ATOM 1728 CB HIS A 120 -17.448 71.939 -12.511 1.00 0.00 C ATOM 1729 CG HIS A 120 -18.919 71.956 -12.230 1.00 0.00 C ATOM 1730 ND1 HIS A 120 -19.710 73.068 -12.430 1.00 0.00 N ATOM 1731 CD2 HIS A 120 -19.745 70.988 -11.767 1.00 0.00 C ATOM 1732 CE1 HIS A 120 -20.957 72.786 -12.098 1.00 0.00 C ATOM 1733 NE2 HIS A 120 -21.004 71.528 -11.692 1.00 0.00 N ATOM 0 H HIS A 120 -14.968 72.594 -12.172 1.00 0.00 H new ATOM 0 HA HIS A 120 -17.176 71.827 -10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -17.150 72.911 -12.905 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -17.243 71.203 -13.289 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -19.465 69.978 -11.505 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -21.795 73.466 -12.149 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -21.841 71.039 -11.375 1.00 0.00 H new ATOM 1741 N GLU A 121 -15.203 69.792 -10.499 1.00 0.00 N ATOM 1742 CA GLU A 121 -14.744 68.409 -10.409 1.00 0.00 C ATOM 1743 C GLU A 121 -15.891 67.480 -10.025 1.00 0.00 C ATOM 1744 O GLU A 121 -15.913 66.310 -10.407 1.00 0.00 O ATOM 1745 CB GLU A 121 -13.613 68.290 -9.388 1.00 0.00 C ATOM 1746 CG GLU A 121 -14.099 68.083 -7.962 1.00 0.00 C ATOM 1747 CD GLU A 121 -12.965 68.080 -6.954 1.00 0.00 C ATOM 1748 OE1 GLU A 121 -12.210 69.073 -6.908 1.00 0.00 O ATOM 1749 OE2 GLU A 121 -12.834 67.084 -6.212 1.00 0.00 O1- ATOM 0 H GLU A 121 -14.680 70.448 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 121 -14.371 68.112 -11.389 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.968 67.457 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -13.003 69.192 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -14.806 68.871 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -14.638 67.138 -7.899 1.00 0.00 H new