USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 761 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.072 K(o=0.44,f=-3.3) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.365 K(o=0.44,f=-2.9!) USER MOD Set 2.1: A 61 CYS SG : rot 149:sc= 1.16 USER MOD Set 2.2: A 80 CYS SG : rot 94:sc= 1.71 USER MOD Single : A 19 THR OG1 : rot -30:sc= 0.138 USER MOD Single : A 20 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.164) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.657 F(o=0.028,f=0.66) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -165:sc= 0 (180deg=-0.0216) USER MOD Single : A 41 THR OG1 : rot -54:sc= 1.05 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.982 K(o=0.98,f=-3!) USER MOD Single : A 59 TYR OH : rot 147:sc= 0.574 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0168 K(o=-0.017,f=-2.5!) USER MOD Single : A 73 SER OG : rot 33:sc= 0.0138 USER MOD Single : A 76 SER OG : rot -152:sc= 0.439 USER MOD Single : A 81 GLN : amide:sc= 0.797 K(o=0.8,f=-1.8!) USER MOD Single : A 82 THR OG1 : rot 136:sc= 0.546 USER MOD Single : A 84 GLN : amide:sc= 0.92 K(o=0.92,f=-6.4!) USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= 0.938 (180deg=0.522) USER MOD Single : A 91 CYS SG : rot -130:sc= -0.0279 USER MOD Single : A 92 SER OG : rot 180:sc= 0.167 USER MOD Single : A 99 ASN : amide:sc= 1.07 K(o=1.1,f=-0.0014) USER MOD Single : A 105 MET CE :methyl -164:sc= 0 (180deg=-0.406) USER MOD Single : A 140 HIS : no HD1:sc=-0.00512 X(o=-0.0051,f=-0.0051) USER MOD Single : A 143 CYS SG : rot 180:sc= -0.011 USER MOD Single : A 145 ASN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.148 -0.384 -11.500 1.00 0.00 N ATOM 234 CA THR A 19 6.495 0.947 -11.454 1.00 0.00 C ATOM 235 C THR A 19 4.994 0.900 -11.182 1.00 0.00 C ATOM 236 O THR A 19 4.467 1.830 -10.574 1.00 0.00 O ATOM 237 CB THR A 19 6.762 1.753 -12.732 1.00 0.00 C ATOM 238 OG1 THR A 19 6.369 0.998 -13.858 1.00 0.00 O ATOM 239 CG2 THR A 19 8.238 2.124 -12.887 1.00 0.00 C ATOM 0 HA THR A 19 6.954 1.448 -10.602 1.00 0.00 H new ATOM 0 HB THR A 19 6.185 2.674 -12.657 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.473 0.043 -13.664 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.375 2.693 -13.806 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.553 2.728 -12.036 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.839 1.216 -12.930 1.00 0.00 H new ATOM 247 N LYS A 20 4.316 -0.181 -11.573 1.00 0.00 N ATOM 248 CA LYS A 20 2.935 -0.492 -11.186 1.00 0.00 C ATOM 249 C LYS A 20 2.962 -1.423 -9.960 1.00 0.00 C ATOM 250 O LYS A 20 3.750 -2.371 -9.910 1.00 0.00 O ATOM 251 CB LYS A 20 2.153 -1.052 -12.405 1.00 0.00 C ATOM 252 CG LYS A 20 1.482 -2.427 -12.200 1.00 0.00 C ATOM 253 CD LYS A 20 0.578 -2.886 -13.356 1.00 0.00 C ATOM 254 CE LYS A 20 1.332 -3.237 -14.652 1.00 0.00 C ATOM 255 NZ LYS A 20 1.482 -2.074 -15.566 1.00 0.00 N ATOM 0 H LYS A 20 4.724 -0.887 -12.186 1.00 0.00 H new ATOM 0 HA LYS A 20 2.393 0.405 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.383 -0.331 -12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.838 -1.126 -13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.260 -3.175 -12.047 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.889 -2.393 -11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.010 -3.758 -13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.144 -2.098 -13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.319 -3.624 -14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.801 -4.035 -15.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.405 -2.395 -16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.734 -1.379 -15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.412 -1.633 -15.417 1.00 0.00 H new ATOM 269 N PHE A 21 2.078 -1.184 -8.989 1.00 0.00 N ATOM 270 CA PHE A 21 2.000 -1.957 -7.747 1.00 0.00 C ATOM 271 C PHE A 21 0.540 -2.186 -7.340 1.00 0.00 C ATOM 272 O PHE A 21 -0.217 -1.237 -7.146 1.00 0.00 O ATOM 273 CB PHE A 21 2.775 -1.221 -6.643 1.00 0.00 C ATOM 274 CG PHE A 21 4.272 -1.079 -6.879 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.126 -2.176 -6.662 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.824 0.153 -7.282 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.519 -2.033 -6.775 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.219 0.291 -7.413 1.00 0.00 C ATOM 279 CZ PHE A 21 7.070 -0.793 -7.137 1.00 0.00 C ATOM 0 H PHE A 21 1.386 -0.437 -9.044 1.00 0.00 H new ATOM 0 HA PHE A 21 2.451 -2.937 -7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.347 -0.226 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.621 -1.748 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.706 -3.138 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.177 0.992 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.166 -2.876 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.638 1.236 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.141 -0.673 -7.203 1.00 0.00 H new ATOM 289 N LYS A 22 0.138 -3.449 -7.182 1.00 0.00 N ATOM 290 CA LYS A 22 -1.169 -3.815 -6.623 1.00 0.00 C ATOM 291 C LYS A 22 -1.276 -3.347 -5.157 1.00 0.00 C ATOM 292 O LYS A 22 -0.383 -3.626 -4.354 1.00 0.00 O ATOM 293 CB LYS A 22 -1.351 -5.344 -6.724 1.00 0.00 C ATOM 294 CG LYS A 22 -1.406 -5.894 -8.160 1.00 0.00 C ATOM 295 CD LYS A 22 -2.715 -5.552 -8.885 1.00 0.00 C ATOM 296 CE LYS A 22 -2.709 -6.168 -10.292 1.00 0.00 C ATOM 297 NZ LYS A 22 -3.997 -5.944 -11.004 1.00 0.00 N ATOM 0 H LYS A 22 0.712 -4.252 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.959 -3.323 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.530 -5.829 -6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.270 -5.621 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.567 -5.493 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.285 -6.977 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.565 -5.930 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.832 -4.470 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.894 -5.737 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.517 -7.238 -10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.951 -6.375 -11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.773 -6.377 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.169 -4.923 -11.098 1.00 0.00 H new ATOM 311 N VAL A 23 -2.358 -2.652 -4.810 1.00 0.00 N ATOM 312 CA VAL A 23 -2.599 -2.080 -3.469 1.00 0.00 C ATOM 313 C VAL A 23 -4.058 -2.256 -3.039 1.00 0.00 C ATOM 314 O VAL A 23 -4.950 -2.356 -3.885 1.00 0.00 O ATOM 315 CB VAL A 23 -2.207 -0.584 -3.381 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.693 -0.364 -3.524 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.963 0.307 -4.377 1.00 0.00 C ATOM 0 H VAL A 23 -3.116 -2.461 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.956 -2.636 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.508 -0.280 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.472 0.701 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.171 -0.895 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.360 -0.742 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.638 1.341 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.754 -0.025 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.034 0.239 -4.186 1.00 0.00 H new ATOM 327 N THR A 24 -4.298 -2.256 -1.722 1.00 0.00 N ATOM 328 CA THR A 24 -5.638 -2.348 -1.124 1.00 0.00 C ATOM 329 C THR A 24 -5.759 -1.335 0.003 1.00 0.00 C ATOM 330 O THR A 24 -5.030 -1.426 0.984 1.00 0.00 O ATOM 331 CB THR A 24 -5.902 -3.770 -0.607 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.641 -4.714 -1.625 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.357 -3.941 -0.171 1.00 0.00 C ATOM 0 H THR A 24 -3.553 -2.191 -1.028 1.00 0.00 H new ATOM 0 HA THR A 24 -6.386 -2.125 -1.885 1.00 0.00 H new ATOM 0 HB THR A 24 -5.244 -3.931 0.247 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.811 -5.617 -1.285 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.512 -4.958 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.583 -3.234 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.015 -3.753 -1.019 1.00 0.00 H new ATOM 341 N ASN A 25 -6.661 -0.362 -0.134 1.00 0.00 N ATOM 342 CA ASN A 25 -6.897 0.684 0.870 1.00 0.00 C ATOM 343 C ASN A 25 -7.469 0.091 2.171 1.00 0.00 C ATOM 344 O ASN A 25 -8.307 -0.813 2.104 1.00 0.00 O ATOM 345 CB ASN A 25 -7.840 1.740 0.261 1.00 0.00 C ATOM 346 CG ASN A 25 -8.065 2.948 1.168 1.00 0.00 C ATOM 347 OD1 ASN A 25 -7.023 3.677 1.526 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -9.183 3.251 1.564 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.258 -0.275 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.952 1.157 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.427 2.080 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.801 1.275 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.990 2.691 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.307 4.064 2.168 1.00 0.00 H new ATOM 355 N VAL A 26 -7.038 0.594 3.337 1.00 0.00 N ATOM 356 CA VAL A 26 -7.454 0.061 4.652 1.00 0.00 C ATOM 357 C VAL A 26 -7.850 1.142 5.666 1.00 0.00 C ATOM 358 O VAL A 26 -7.430 2.294 5.567 1.00 0.00 O ATOM 359 CB VAL A 26 -6.408 -0.890 5.278 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.186 -2.151 4.430 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.047 -0.228 5.558 1.00 0.00 C ATOM 0 H VAL A 26 -6.392 1.381 3.400 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.351 -0.516 4.426 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.844 -1.167 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.443 -2.787 4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.125 -2.697 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.832 -1.866 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.369 -0.961 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.625 0.144 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.182 0.602 6.252 1.00 0.00 H new ATOM 371 N ASP A 27 -8.667 0.737 6.644 1.00 0.00 N ATOM 372 CA ASP A 27 -9.150 1.554 7.764 1.00 0.00 C ATOM 373 C ASP A 27 -8.236 1.499 9.011 1.00 0.00 C ATOM 374 O ASP A 27 -7.168 0.883 8.996 1.00 0.00 O ATOM 375 CB ASP A 27 -10.600 1.140 8.101 1.00 0.00 C ATOM 376 CG ASP A 27 -10.743 -0.187 8.870 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.821 -1.031 8.832 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.795 -0.366 9.529 1.00 0.00 O ATOM 0 H ASP A 27 -9.028 -0.217 6.678 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.127 2.597 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.060 1.934 8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.164 1.065 7.172 1.00 0.00 H new ATOM 383 N ASP A 28 -8.677 2.115 10.117 1.00 0.00 N ATOM 384 CA ASP A 28 -7.974 2.131 11.414 1.00 0.00 C ATOM 385 C ASP A 28 -7.815 0.735 12.070 1.00 0.00 C ATOM 386 O ASP A 28 -7.093 0.606 13.061 1.00 0.00 O ATOM 387 CB ASP A 28 -8.700 3.088 12.383 1.00 0.00 C ATOM 388 CG ASP A 28 -8.448 4.584 12.124 1.00 0.00 C ATOM 389 OD1 ASP A 28 -7.281 5.033 12.211 1.00 0.00 O ATOM 390 OD2 ASP A 28 -9.436 5.323 11.908 1.00 0.00 O ATOM 0 H ASP A 28 -9.557 2.631 10.138 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.962 2.480 11.208 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.772 2.899 12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.392 2.853 13.402 1.00 0.00 H new ATOM 395 N GLU A 29 -8.445 -0.310 11.520 1.00 0.00 N ATOM 396 CA GLU A 29 -8.350 -1.706 11.966 1.00 0.00 C ATOM 397 C GLU A 29 -7.664 -2.618 10.922 1.00 0.00 C ATOM 398 O GLU A 29 -7.544 -3.828 11.138 1.00 0.00 O ATOM 399 CB GLU A 29 -9.754 -2.227 12.327 1.00 0.00 C ATOM 400 CG GLU A 29 -10.347 -1.520 13.555 1.00 0.00 C ATOM 401 CD GLU A 29 -11.665 -2.179 13.992 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.624 -3.236 14.664 1.00 0.00 O ATOM 403 OE2 GLU A 29 -12.755 -1.634 13.686 1.00 0.00 O ATOM 0 H GLU A 29 -9.063 -0.201 10.716 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.716 -1.733 12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.420 -2.088 11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.702 -3.299 12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.632 -1.551 14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.522 -0.469 13.324 1.00 0.00 H new ATOM 410 N GLY A 30 -7.200 -2.064 9.793 1.00 0.00 N ATOM 411 CA GLY A 30 -6.501 -2.798 8.729 1.00 0.00 C ATOM 412 C GLY A 30 -7.418 -3.622 7.819 1.00 0.00 C ATOM 413 O GLY A 30 -6.925 -4.511 7.125 1.00 0.00 O ATOM 0 H GLY A 30 -7.303 -1.070 9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.947 -2.086 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.769 -3.464 9.185 1.00 0.00 H new ATOM 417 N VAL A 31 -8.728 -3.364 7.818 1.00 0.00 N ATOM 418 CA VAL A 31 -9.729 -4.108 7.031 1.00 0.00 C ATOM 419 C VAL A 31 -9.665 -3.662 5.568 1.00 0.00 C ATOM 420 O VAL A 31 -9.650 -2.466 5.293 1.00 0.00 O ATOM 421 CB VAL A 31 -11.159 -3.912 7.593 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.199 -4.721 6.796 1.00 0.00 C ATOM 423 CG2 VAL A 31 -11.238 -4.346 9.068 1.00 0.00 C ATOM 0 H VAL A 31 -9.138 -2.615 8.376 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.496 -5.171 7.099 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.383 -2.849 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.190 -4.558 7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.192 -4.397 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.952 -5.781 6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.253 -4.198 9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.972 -5.400 9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.545 -3.748 9.661 1.00 0.00 H new ATOM 433 N GLU A 32 -9.629 -4.623 4.641 1.00 0.00 N ATOM 434 CA GLU A 32 -9.555 -4.398 3.191 1.00 0.00 C ATOM 435 C GLU A 32 -10.840 -3.741 2.654 1.00 0.00 C ATOM 436 O GLU A 32 -11.928 -4.314 2.767 1.00 0.00 O ATOM 437 CB GLU A 32 -9.315 -5.744 2.482 1.00 0.00 C ATOM 438 CG GLU A 32 -7.936 -6.346 2.786 1.00 0.00 C ATOM 439 CD GLU A 32 -7.818 -7.761 2.200 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.208 -8.735 2.888 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.331 -7.912 1.056 1.00 0.00 O ATOM 0 H GLU A 32 -9.651 -5.613 4.885 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.728 -3.717 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.088 -6.450 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.415 -5.604 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.156 -5.709 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.778 -6.380 3.864 1.00 0.00 H new ATOM 448 N LEU A 33 -10.717 -2.546 2.058 1.00 0.00 N ATOM 449 CA LEU A 33 -11.857 -1.728 1.611 1.00 0.00 C ATOM 450 C LEU A 33 -12.029 -1.711 0.089 1.00 0.00 C ATOM 451 O LEU A 33 -13.123 -1.966 -0.413 1.00 0.00 O ATOM 452 CB LEU A 33 -11.681 -0.281 2.110 1.00 0.00 C ATOM 453 CG LEU A 33 -11.482 -0.121 3.626 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.318 1.368 3.926 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.636 -0.712 4.447 1.00 0.00 C ATOM 0 H LEU A 33 -9.812 -2.114 1.870 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.753 -2.184 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.823 0.158 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.557 0.296 1.814 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.592 -0.679 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.175 1.510 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.451 1.754 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.211 1.904 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.438 -0.568 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.566 -0.211 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.725 -1.778 4.235 1.00 0.00 H new ATOM 467 N GLY A 34 -10.960 -1.364 -0.632 1.00 0.00 N ATOM 468 CA GLY A 34 -10.950 -1.225 -2.093 1.00 0.00 C ATOM 469 C GLY A 34 -9.603 -1.554 -2.728 1.00 0.00 C ATOM 470 O GLY A 34 -8.572 -1.068 -2.263 1.00 0.00 O ATOM 0 H GLY A 34 -10.054 -1.167 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.712 -1.879 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.226 -0.203 -2.354 1.00 0.00 H new ATOM 474 N SER A 35 -9.609 -2.327 -3.810 1.00 0.00 N ATOM 475 CA SER A 35 -8.402 -2.731 -4.547 1.00 0.00 C ATOM 476 C SER A 35 -8.105 -1.824 -5.760 1.00 0.00 C ATOM 477 O SER A 35 -9.014 -1.313 -6.422 1.00 0.00 O ATOM 478 CB SER A 35 -8.515 -4.204 -4.965 1.00 0.00 C ATOM 479 OG SER A 35 -9.685 -4.476 -5.725 1.00 0.00 O ATOM 0 H SER A 35 -10.468 -2.701 -4.213 1.00 0.00 H new ATOM 0 HA SER A 35 -7.553 -2.614 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.637 -4.479 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.514 -4.831 -4.073 1.00 0.00 H new ATOM 0 HG SER A 35 -9.705 -5.426 -5.965 1.00 0.00 H new ATOM 485 N GLY A 36 -6.814 -1.607 -6.046 1.00 0.00 N ATOM 486 CA GLY A 36 -6.332 -0.731 -7.121 1.00 0.00 C ATOM 487 C GLY A 36 -4.872 -0.963 -7.521 1.00 0.00 C ATOM 488 O GLY A 36 -4.145 -1.724 -6.875 1.00 0.00 O ATOM 0 H GLY A 36 -6.057 -2.047 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.963 -0.872 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.449 0.306 -6.808 1.00 0.00 H new ATOM 492 N VAL A 37 -4.447 -0.271 -8.580 1.00 0.00 N ATOM 493 CA VAL A 37 -3.062 -0.234 -9.082 1.00 0.00 C ATOM 494 C VAL A 37 -2.470 1.146 -8.797 1.00 0.00 C ATOM 495 O VAL A 37 -2.906 2.148 -9.362 1.00 0.00 O ATOM 496 CB VAL A 37 -3.001 -0.539 -10.598 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.583 -0.345 -11.169 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.445 -1.985 -10.883 1.00 0.00 C ATOM 0 H VAL A 37 -5.079 0.304 -9.137 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.482 -1.003 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.678 0.165 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.586 -0.570 -12.236 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.268 0.687 -11.017 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.891 -1.015 -10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.394 -2.177 -11.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.787 -2.678 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.469 -2.126 -10.538 1.00 0.00 H new ATOM 508 N MET A 38 -1.456 1.185 -7.936 1.00 0.00 N ATOM 509 CA MET A 38 -0.674 2.380 -7.625 1.00 0.00 C ATOM 510 C MET A 38 0.450 2.563 -8.652 1.00 0.00 C ATOM 511 O MET A 38 1.045 1.594 -9.127 1.00 0.00 O ATOM 512 CB MET A 38 -0.153 2.268 -6.185 1.00 0.00 C ATOM 513 CG MET A 38 0.511 3.557 -5.695 1.00 0.00 C ATOM 514 SD MET A 38 0.918 3.554 -3.932 1.00 0.00 S ATOM 515 CE MET A 38 -0.709 3.909 -3.220 1.00 0.00 C ATOM 0 H MET A 38 -1.146 0.362 -7.420 1.00 0.00 H new ATOM 0 HA MET A 38 -1.296 3.273 -7.689 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.981 2.016 -5.522 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.564 1.449 -6.125 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.424 3.723 -6.267 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.153 4.396 -5.902 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.593 4.204 -2.177 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.180 4.720 -3.776 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.334 3.018 -3.278 1.00 0.00 H new ATOM 525 N GLU A 39 0.728 3.820 -8.988 1.00 0.00 N ATOM 526 CA GLU A 39 1.684 4.242 -10.008 1.00 0.00 C ATOM 527 C GLU A 39 2.395 5.520 -9.544 1.00 0.00 C ATOM 528 O GLU A 39 1.762 6.491 -9.123 1.00 0.00 O ATOM 529 CB GLU A 39 0.923 4.449 -11.330 1.00 0.00 C ATOM 530 CG GLU A 39 1.808 4.945 -12.480 1.00 0.00 C ATOM 531 CD GLU A 39 1.030 4.974 -13.803 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.021 5.657 -13.873 1.00 0.00 O ATOM 533 OE2 GLU A 39 1.461 4.319 -14.781 1.00 0.00 O ATOM 0 H GLU A 39 0.270 4.611 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 39 2.451 3.484 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.457 3.508 -11.622 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.118 5.166 -11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.181 5.944 -12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.678 4.295 -12.580 1.00 0.00 H new ATOM 540 N LEU A 40 3.725 5.525 -9.611 1.00 0.00 N ATOM 541 CA LEU A 40 4.556 6.661 -9.212 1.00 0.00 C ATOM 542 C LEU A 40 5.285 7.200 -10.448 1.00 0.00 C ATOM 543 O LEU A 40 5.871 6.434 -11.220 1.00 0.00 O ATOM 544 CB LEU A 40 5.535 6.238 -8.098 1.00 0.00 C ATOM 545 CG LEU A 40 4.953 6.250 -6.669 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.953 5.129 -6.359 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.100 6.161 -5.660 1.00 0.00 C ATOM 0 H LEU A 40 4.264 4.728 -9.949 1.00 0.00 H new ATOM 0 HA LEU A 40 3.936 7.460 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.896 5.233 -8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.400 6.901 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 40 4.396 7.184 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.604 5.227 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.104 5.200 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.440 4.162 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.696 6.169 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.656 5.237 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.767 7.013 -5.791 1.00 0.00 H new ATOM 559 N THR A 41 5.224 8.524 -10.635 1.00 0.00 N ATOM 560 CA THR A 41 5.816 9.261 -11.767 1.00 0.00 C ATOM 561 C THR A 41 6.818 10.284 -11.243 1.00 0.00 C ATOM 562 O THR A 41 6.795 10.617 -10.063 1.00 0.00 O ATOM 563 CB THR A 41 4.720 9.938 -12.609 1.00 0.00 C ATOM 564 OG1 THR A 41 4.171 11.022 -11.892 1.00 0.00 O ATOM 565 CG2 THR A 41 3.583 8.986 -13.006 1.00 0.00 C ATOM 0 H THR A 41 4.743 9.139 -9.978 1.00 0.00 H new ATOM 0 HA THR A 41 6.340 8.559 -12.415 1.00 0.00 H new ATOM 0 HB THR A 41 5.201 10.274 -13.527 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.864 10.712 -11.014 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.845 9.528 -13.598 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.987 8.163 -13.595 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.109 8.591 -12.108 1.00 0.00 H new ATOM 573 N GLN A 42 7.672 10.849 -12.095 1.00 0.00 N ATOM 574 CA GLN A 42 8.583 11.917 -11.656 1.00 0.00 C ATOM 575 C GLN A 42 7.849 13.235 -11.334 1.00 0.00 C ATOM 576 O GLN A 42 8.447 14.171 -10.805 1.00 0.00 O ATOM 577 CB GLN A 42 9.697 12.103 -12.698 1.00 0.00 C ATOM 578 CG GLN A 42 10.910 12.890 -12.172 1.00 0.00 C ATOM 579 CD GLN A 42 12.143 12.694 -13.058 1.00 0.00 C ATOM 580 OE1 GLN A 42 12.428 13.489 -13.950 1.00 0.00 O ATOM 581 NE2 GLN A 42 12.930 11.664 -12.825 1.00 0.00 N ATOM 0 H GLN A 42 7.756 10.594 -13.079 1.00 0.00 H new ATOM 0 HA GLN A 42 9.037 11.611 -10.714 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.031 11.123 -13.039 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.288 12.620 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.662 13.950 -12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.138 12.569 -11.156 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.697 11.001 -12.085 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.772 11.529 -13.384 1.00 0.00 H new ATOM 590 N SER A 43 6.542 13.319 -11.602 1.00 0.00 N ATOM 591 CA SER A 43 5.724 14.494 -11.286 1.00 0.00 C ATOM 592 C SER A 43 4.913 14.346 -9.982 1.00 0.00 C ATOM 593 O SER A 43 4.771 15.333 -9.252 1.00 0.00 O ATOM 594 CB SER A 43 4.749 14.794 -12.442 1.00 0.00 C ATOM 595 OG SER A 43 5.421 14.984 -13.686 1.00 0.00 O ATOM 0 H SER A 43 6.018 12.567 -12.048 1.00 0.00 H new ATOM 0 HA SER A 43 6.426 15.316 -11.146 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.039 13.972 -12.538 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.172 15.687 -12.204 1.00 0.00 H new ATOM 0 HG SER A 43 4.763 15.170 -14.388 1.00 0.00 H new ATOM 601 N GLU A 44 4.387 13.148 -9.674 1.00 0.00 N ATOM 602 CA GLU A 44 3.411 12.918 -8.599 1.00 0.00 C ATOM 603 C GLU A 44 3.071 11.432 -8.387 1.00 0.00 C ATOM 604 O GLU A 44 3.373 10.564 -9.215 1.00 0.00 O ATOM 605 CB GLU A 44 2.120 13.733 -8.846 1.00 0.00 C ATOM 606 CG GLU A 44 1.327 13.323 -10.092 1.00 0.00 C ATOM 607 CD GLU A 44 0.175 14.298 -10.371 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.463 14.805 -9.420 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.118 14.540 -11.567 1.00 0.00 O ATOM 0 H GLU A 44 4.635 12.296 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 44 3.888 13.262 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.474 13.636 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.384 14.787 -8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.993 13.289 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.929 12.317 -9.957 1.00 0.00 H new ATOM 616 N LEU A 45 2.384 11.153 -7.276 1.00 0.00 N ATOM 617 CA LEU A 45 1.784 9.859 -6.964 1.00 0.00 C ATOM 618 C LEU A 45 0.431 9.732 -7.687 1.00 0.00 C ATOM 619 O LEU A 45 -0.352 10.682 -7.675 1.00 0.00 O ATOM 620 CB LEU A 45 1.612 9.758 -5.429 1.00 0.00 C ATOM 621 CG LEU A 45 2.064 8.416 -4.826 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.885 8.417 -3.304 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.296 7.231 -5.418 1.00 0.00 C ATOM 0 H LEU A 45 2.227 11.848 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 45 2.423 9.044 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.177 10.563 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.563 9.919 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 45 3.119 8.302 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.211 7.459 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.483 9.217 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.834 8.575 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.648 6.305 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.231 7.351 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.461 7.192 -6.495 1.00 0.00 H new ATOM 635 N VAL A 46 0.140 8.577 -8.289 1.00 0.00 N ATOM 636 CA VAL A 46 -1.112 8.263 -9.002 1.00 0.00 C ATOM 637 C VAL A 46 -1.651 6.906 -8.519 1.00 0.00 C ATOM 638 O VAL A 46 -0.889 6.024 -8.123 1.00 0.00 O ATOM 639 CB VAL A 46 -0.883 8.263 -10.536 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.183 8.006 -11.319 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.283 9.595 -11.027 1.00 0.00 C ATOM 0 H VAL A 46 0.796 7.796 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.854 9.031 -8.782 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.181 7.451 -10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.972 8.015 -12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.591 7.035 -11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.908 8.785 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.138 9.553 -12.107 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.962 10.412 -10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.677 9.764 -10.539 1.00 0.00 H new ATOM 651 N LEU A 47 -2.973 6.728 -8.540 1.00 0.00 N ATOM 652 CA LEU A 47 -3.646 5.505 -8.096 1.00 0.00 C ATOM 653 C LEU A 47 -4.945 5.294 -8.885 1.00 0.00 C ATOM 654 O LEU A 47 -5.815 6.165 -8.935 1.00 0.00 O ATOM 655 CB LEU A 47 -3.872 5.590 -6.570 1.00 0.00 C ATOM 656 CG LEU A 47 -3.753 4.263 -5.791 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.154 4.489 -4.329 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.607 3.129 -6.367 1.00 0.00 C ATOM 0 H LEU A 47 -3.619 7.444 -8.873 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.026 4.631 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.153 6.297 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.865 6.004 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.712 3.953 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.070 3.551 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.494 5.232 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.184 4.844 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.470 2.230 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.657 3.420 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.302 2.929 -7.394 1.00 0.00 H new ATOM 670 N HIS A 48 -5.051 4.120 -9.507 1.00 0.00 N ATOM 671 CA HIS A 48 -6.124 3.686 -10.401 1.00 0.00 C ATOM 672 C HIS A 48 -6.971 2.576 -9.744 1.00 0.00 C ATOM 673 O HIS A 48 -6.421 1.538 -9.362 1.00 0.00 O ATOM 674 CB HIS A 48 -5.460 3.148 -11.681 1.00 0.00 C ATOM 675 CG HIS A 48 -4.551 4.125 -12.387 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.970 5.180 -13.201 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.187 4.088 -12.374 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.841 5.748 -13.661 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.755 5.114 -13.186 1.00 0.00 N ATOM 0 H HIS A 48 -4.340 3.397 -9.391 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.790 4.520 -10.623 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.885 2.258 -11.427 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.241 2.836 -12.374 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.566 3.390 -11.832 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.811 6.600 -14.324 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.784 5.350 -13.390 1.00 0.00 H new ATOM 687 N LEU A 49 -8.287 2.773 -9.609 1.00 0.00 N ATOM 688 CA LEU A 49 -9.217 1.827 -8.966 1.00 0.00 C ATOM 689 C LEU A 49 -10.433 1.537 -9.866 1.00 0.00 C ATOM 690 O LEU A 49 -10.686 2.246 -10.840 1.00 0.00 O ATOM 691 CB LEU A 49 -9.659 2.371 -7.589 1.00 0.00 C ATOM 692 CG LEU A 49 -8.499 2.838 -6.675 1.00 0.00 C ATOM 693 CD1 LEU A 49 -8.373 4.372 -6.667 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.681 2.337 -5.241 1.00 0.00 C ATOM 0 H LEU A 49 -8.750 3.615 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.695 0.882 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.340 3.208 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.222 1.595 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.584 2.410 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.550 4.666 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.179 4.726 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.301 4.811 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.850 2.683 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.616 2.724 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.707 1.247 -5.237 1.00 0.00 H new ATOM 786 N ALA A 54 -9.663 7.697 -10.915 1.00 0.00 N ATOM 787 CA ALA A 54 -8.226 7.758 -10.627 1.00 0.00 C ATOM 788 C ALA A 54 -7.902 8.949 -9.699 1.00 0.00 C ATOM 789 O ALA A 54 -8.442 10.045 -9.875 1.00 0.00 O ATOM 790 CB ALA A 54 -7.441 7.821 -11.944 1.00 0.00 C ATOM 0 HA ALA A 54 -7.924 6.856 -10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.373 7.866 -11.729 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.654 6.932 -12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.737 8.709 -12.502 1.00 0.00 H new ATOM 796 N VAL A 55 -7.017 8.737 -8.721 1.00 0.00 N ATOM 797 CA VAL A 55 -6.683 9.717 -7.669 1.00 0.00 C ATOM 798 C VAL A 55 -5.184 10.012 -7.685 1.00 0.00 C ATOM 799 O VAL A 55 -4.373 9.092 -7.759 1.00 0.00 O ATOM 800 CB VAL A 55 -7.119 9.234 -6.265 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.913 10.349 -5.227 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.602 8.824 -6.228 1.00 0.00 C ATOM 0 H VAL A 55 -6.499 7.863 -8.631 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.236 10.632 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.502 8.366 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.224 9.994 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.859 10.627 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.509 11.219 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.863 8.492 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.222 9.678 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.773 8.011 -6.934 1.00 0.00 H new ATOM 812 N ARG A 56 -4.832 11.300 -7.629 1.00 0.00 N ATOM 813 CA ARG A 56 -3.468 11.811 -7.769 1.00 0.00 C ATOM 814 C ARG A 56 -3.107 12.723 -6.589 1.00 0.00 C ATOM 815 O ARG A 56 -3.936 13.524 -6.139 1.00 0.00 O ATOM 816 CB ARG A 56 -3.322 12.582 -9.097 1.00 0.00 C ATOM 817 CG ARG A 56 -3.826 11.821 -10.338 1.00 0.00 C ATOM 818 CD ARG A 56 -3.757 12.673 -11.613 1.00 0.00 C ATOM 819 NE ARG A 56 -2.378 12.841 -12.107 1.00 0.00 N ATOM 820 CZ ARG A 56 -1.760 12.137 -13.048 1.00 0.00 C ATOM 821 NH1 ARG A 56 -2.315 11.112 -13.661 1.00 0.00 N ATOM 822 NH2 ARG A 56 -0.538 12.478 -13.382 1.00 0.00 N ATOM 0 H ARG A 56 -5.516 12.042 -7.479 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.783 10.963 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.867 13.523 -9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.271 12.833 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.230 10.918 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.855 11.502 -10.172 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.363 12.208 -12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.190 13.653 -11.415 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.834 13.587 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.264 10.826 -13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.796 10.604 -14.378 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.085 13.267 -12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.041 11.954 -14.102 1.00 0.00 H new ATOM 836 N TRP A 57 -1.863 12.628 -6.111 1.00 0.00 N ATOM 837 CA TRP A 57 -1.326 13.421 -5.000 1.00 0.00 C ATOM 838 C TRP A 57 0.069 13.985 -5.351 1.00 0.00 C ATOM 839 O TRP A 57 1.011 13.195 -5.501 1.00 0.00 O ATOM 840 CB TRP A 57 -1.264 12.559 -3.731 1.00 0.00 C ATOM 841 CG TRP A 57 -2.572 12.055 -3.202 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.447 12.769 -2.459 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.162 10.722 -3.326 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.524 11.979 -2.110 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.378 10.691 -2.576 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.781 9.530 -3.979 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -5.152 9.530 -2.444 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.566 8.366 -3.869 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.742 8.357 -3.100 1.00 0.00 C ATOM 0 H TRP A 57 -1.180 11.977 -6.498 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.989 14.267 -4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.624 11.700 -3.933 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.780 13.141 -2.947 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.322 13.805 -2.180 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.327 12.308 -1.574 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.877 9.510 -4.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.051 9.537 -1.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.260 7.467 -4.383 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.327 7.454 -3.014 1.00 0.00 H new ATOM 860 N PRO A 58 0.231 15.320 -5.483 1.00 0.00 N ATOM 861 CA PRO A 58 1.507 15.939 -5.834 1.00 0.00 C ATOM 862 C PRO A 58 2.518 15.806 -4.700 1.00 0.00 C ATOM 863 O PRO A 58 2.176 15.920 -3.528 1.00 0.00 O ATOM 864 CB PRO A 58 1.193 17.403 -6.141 1.00 0.00 C ATOM 865 CG PRO A 58 -0.075 17.687 -5.344 1.00 0.00 C ATOM 866 CD PRO A 58 -0.803 16.345 -5.366 1.00 0.00 C ATOM 0 HA PRO A 58 1.964 15.448 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.010 18.058 -5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.037 17.562 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.151 18.007 -4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.671 18.477 -5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.388 16.205 -4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.498 16.293 -6.204 1.00 0.00 H new ATOM 874 N TYR A 59 3.790 15.607 -5.035 1.00 0.00 N ATOM 875 CA TYR A 59 4.835 15.382 -4.028 1.00 0.00 C ATOM 876 C TYR A 59 5.112 16.617 -3.147 1.00 0.00 C ATOM 877 O TYR A 59 5.572 16.477 -2.014 1.00 0.00 O ATOM 878 CB TYR A 59 6.103 14.889 -4.729 1.00 0.00 C ATOM 879 CG TYR A 59 6.038 13.536 -5.427 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.133 12.524 -5.030 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.942 13.276 -6.475 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.137 11.273 -5.669 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.945 12.028 -7.123 1.00 0.00 C ATOM 884 CZ TYR A 59 6.046 11.019 -6.718 1.00 0.00 C ATOM 885 OH TYR A 59 6.033 9.808 -7.338 1.00 0.00 O ATOM 0 H TYR A 59 4.127 15.596 -5.998 1.00 0.00 H new ATOM 0 HA TYR A 59 4.477 14.619 -3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.391 15.636 -5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.903 14.848 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.434 12.715 -4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.639 14.041 -6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.444 10.505 -5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.636 11.842 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 59 6.271 9.921 -8.282 1.00 0.00 H new ATOM 895 N LEU A 60 4.727 17.809 -3.616 1.00 0.00 N ATOM 896 CA LEU A 60 4.733 19.053 -2.841 1.00 0.00 C ATOM 897 C LEU A 60 3.608 19.142 -1.786 1.00 0.00 C ATOM 898 O LEU A 60 3.735 19.938 -0.856 1.00 0.00 O ATOM 899 CB LEU A 60 4.773 20.291 -3.758 1.00 0.00 C ATOM 900 CG LEU A 60 3.707 20.330 -4.870 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.216 21.767 -5.086 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.283 19.785 -6.186 1.00 0.00 C ATOM 0 H LEU A 60 4.394 17.938 -4.571 1.00 0.00 H new ATOM 0 HA LEU A 60 5.658 19.037 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.661 21.182 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.758 20.346 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 60 2.869 19.705 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.463 21.780 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.780 22.145 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.056 22.399 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.517 19.820 -6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.134 20.394 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.607 18.754 -6.042 1.00 0.00 H new ATOM 914 N CYS A 61 2.541 18.328 -1.868 1.00 0.00 N ATOM 915 CA CYS A 61 1.545 18.210 -0.780 1.00 0.00 C ATOM 916 C CYS A 61 1.849 17.090 0.235 1.00 0.00 C ATOM 917 O CYS A 61 1.180 17.017 1.269 1.00 0.00 O ATOM 918 CB CYS A 61 0.123 18.088 -1.356 1.00 0.00 C ATOM 919 SG CYS A 61 -0.283 16.358 -1.741 1.00 0.00 S ATOM 0 H CYS A 61 2.343 17.739 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 61 1.613 19.134 -0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.598 18.483 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.040 18.694 -2.259 1.00 0.00 H new ATOM 0 HG CYS A 61 -1.559 16.167 -1.584 1.00 0.00 H new ATOM 925 N LEU A 62 2.836 16.224 -0.033 1.00 0.00 N ATOM 926 CA LEU A 62 3.201 15.119 0.858 1.00 0.00 C ATOM 927 C LEU A 62 4.137 15.621 1.962 1.00 0.00 C ATOM 928 O LEU A 62 5.362 15.632 1.813 1.00 0.00 O ATOM 929 CB LEU A 62 3.800 13.939 0.071 1.00 0.00 C ATOM 930 CG LEU A 62 2.885 13.294 -0.991 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.587 12.052 -1.559 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.508 12.893 -0.440 1.00 0.00 C ATOM 0 H LEU A 62 3.405 16.272 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 62 2.298 14.740 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.709 14.283 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.096 13.168 0.782 1.00 0.00 H new ATOM 0 HG LEU A 62 2.709 14.040 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.950 11.586 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.533 12.345 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.777 11.342 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.914 12.446 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.635 12.171 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.997 13.777 -0.059 1.00 0.00 H new ATOM 944 N ARG A 63 3.548 16.032 3.088 1.00 0.00 N ATOM 945 CA ARG A 63 4.279 16.548 4.255 1.00 0.00 C ATOM 946 C ARG A 63 5.147 15.474 4.931 1.00 0.00 C ATOM 947 O ARG A 63 6.182 15.812 5.512 1.00 0.00 O ATOM 948 CB ARG A 63 3.289 17.163 5.261 1.00 0.00 C ATOM 949 CG ARG A 63 2.683 18.503 4.795 1.00 0.00 C ATOM 950 CD ARG A 63 3.686 19.670 4.726 1.00 0.00 C ATOM 951 NE ARG A 63 4.238 19.999 6.056 1.00 0.00 N ATOM 952 CZ ARG A 63 5.463 19.758 6.511 1.00 0.00 C ATOM 953 NH1 ARG A 63 6.410 19.238 5.758 1.00 0.00 N ATOM 954 NH2 ARG A 63 5.755 20.038 7.763 1.00 0.00 N ATOM 0 H ARG A 63 2.537 16.017 3.219 1.00 0.00 H new ATOM 0 HA ARG A 63 4.962 17.319 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.482 16.453 5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.799 17.316 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.240 18.363 3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.874 18.776 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.500 19.410 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.193 20.549 4.310 1.00 0.00 H new ATOM 0 HE ARG A 63 3.603 20.467 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.216 19.004 4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.337 19.070 6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.044 20.437 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.693 19.856 8.121 1.00 0.00 H new ATOM 968 N ARG A 64 4.758 14.197 4.817 1.00 0.00 N ATOM 969 CA ARG A 64 5.492 13.017 5.302 1.00 0.00 C ATOM 970 C ARG A 64 4.896 11.720 4.749 1.00 0.00 C ATOM 971 O ARG A 64 3.721 11.656 4.380 1.00 0.00 O ATOM 972 CB ARG A 64 5.582 12.998 6.840 1.00 0.00 C ATOM 973 CG ARG A 64 4.228 13.123 7.558 1.00 0.00 C ATOM 974 CD ARG A 64 4.428 13.213 9.075 1.00 0.00 C ATOM 975 NE ARG A 64 3.189 13.667 9.725 1.00 0.00 N ATOM 976 CZ ARG A 64 3.067 14.467 10.775 1.00 0.00 C ATOM 977 NH1 ARG A 64 4.091 14.862 11.506 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.862 14.885 11.078 1.00 0.00 N ATOM 0 H ARG A 64 3.880 13.945 4.362 1.00 0.00 H new ATOM 0 HA ARG A 64 6.512 13.088 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.060 12.070 7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.228 13.814 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.702 14.009 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.603 12.263 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.718 12.239 9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.240 13.904 9.302 1.00 0.00 H new ATOM 0 HE ARG A 64 2.318 13.325 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.034 14.551 11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.940 15.479 12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.064 14.593 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.722 15.502 11.878 1.00 0.00 H new ATOM 992 N TYR A 65 5.723 10.683 4.698 1.00 0.00 N ATOM 993 CA TYR A 65 5.419 9.371 4.121 1.00 0.00 C ATOM 994 C TYR A 65 6.257 8.279 4.792 1.00 0.00 C ATOM 995 O TYR A 65 7.309 8.560 5.367 1.00 0.00 O ATOM 996 CB TYR A 65 5.653 9.398 2.603 1.00 0.00 C ATOM 997 CG TYR A 65 7.078 9.741 2.199 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.061 8.734 2.123 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.420 11.075 1.907 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.386 9.056 1.770 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.741 11.401 1.555 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.731 10.396 1.489 1.00 0.00 C ATOM 1003 OH TYR A 65 11.012 10.719 1.156 1.00 0.00 O ATOM 0 H TYR A 65 6.670 10.732 5.075 1.00 0.00 H new ATOM 0 HA TYR A 65 4.369 9.140 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.394 8.423 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.975 10.125 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.797 7.709 2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.667 11.848 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.136 8.280 1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.000 12.426 1.334 1.00 0.00 H new ATOM 0 HH TYR A 65 11.075 11.683 0.994 1.00 0.00 H new ATOM 1013 N GLY A 66 5.786 7.035 4.738 1.00 0.00 N ATOM 1014 CA GLY A 66 6.397 5.921 5.449 1.00 0.00 C ATOM 1015 C GLY A 66 5.864 4.560 5.043 1.00 0.00 C ATOM 1016 O GLY A 66 4.938 4.426 4.241 1.00 0.00 O ATOM 0 H GLY A 66 4.963 6.773 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.474 5.943 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.239 6.057 6.519 1.00 0.00 H new ATOM 1020 N TYR A 67 6.463 3.533 5.630 1.00 0.00 N ATOM 1021 CA TYR A 67 6.119 2.144 5.351 1.00 0.00 C ATOM 1022 C TYR A 67 6.367 1.238 6.562 1.00 0.00 C ATOM 1023 O TYR A 67 7.172 1.539 7.447 1.00 0.00 O ATOM 1024 CB TYR A 67 6.852 1.675 4.082 1.00 0.00 C ATOM 1025 CG TYR A 67 8.268 1.173 4.295 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.292 2.070 4.651 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.558 -0.196 4.152 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.599 1.605 4.884 1.00 0.00 C ATOM 1029 CE2 TYR A 67 9.860 -0.673 4.394 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.887 0.228 4.761 1.00 0.00 C ATOM 1031 OH TYR A 67 12.150 -0.232 4.988 1.00 0.00 O ATOM 0 H TYR A 67 7.207 3.640 6.319 1.00 0.00 H new ATOM 0 HA TYR A 67 5.048 2.074 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.268 0.879 3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.881 2.502 3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.073 3.123 4.746 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.779 -0.883 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.380 2.299 5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.075 -1.727 4.299 1.00 0.00 H new ATOM 0 HH TYR A 67 12.172 -1.203 4.861 1.00 0.00 H new ATOM 1041 N ASP A 68 5.643 0.132 6.596 1.00 0.00 N ATOM 1042 CA ASP A 68 5.728 -0.915 7.617 1.00 0.00 C ATOM 1043 C ASP A 68 5.622 -2.321 6.993 1.00 0.00 C ATOM 1044 O ASP A 68 5.617 -2.476 5.771 1.00 0.00 O ATOM 1045 CB ASP A 68 4.656 -0.670 8.697 1.00 0.00 C ATOM 1046 CG ASP A 68 5.218 -0.936 10.098 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.419 -2.127 10.435 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.473 0.049 10.831 1.00 0.00 O ATOM 0 H ASP A 68 4.945 -0.076 5.882 1.00 0.00 H new ATOM 0 HA ASP A 68 6.707 -0.870 8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.299 0.358 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.798 -1.317 8.516 1.00 0.00 H new ATOM 1053 N SER A 69 5.544 -3.357 7.829 1.00 0.00 N ATOM 1054 CA SER A 69 5.407 -4.753 7.386 1.00 0.00 C ATOM 1055 C SER A 69 4.124 -4.969 6.552 1.00 0.00 C ATOM 1056 O SER A 69 3.002 -4.973 7.064 1.00 0.00 O ATOM 1057 CB SER A 69 5.521 -5.731 8.573 1.00 0.00 C ATOM 1058 OG SER A 69 4.671 -5.429 9.677 1.00 0.00 O ATOM 0 H SER A 69 5.574 -3.254 8.843 1.00 0.00 H new ATOM 0 HA SER A 69 6.240 -4.973 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.293 -6.737 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.554 -5.741 8.920 1.00 0.00 H new ATOM 0 HG SER A 69 4.803 -6.095 10.383 1.00 0.00 H new ATOM 1064 N ASN A 70 4.304 -5.107 5.230 1.00 0.00 N ATOM 1065 CA ASN A 70 3.248 -5.232 4.212 1.00 0.00 C ATOM 1066 C ASN A 70 2.282 -4.020 4.148 1.00 0.00 C ATOM 1067 O ASN A 70 1.143 -4.163 3.689 1.00 0.00 O ATOM 1068 CB ASN A 70 2.511 -6.580 4.361 1.00 0.00 C ATOM 1069 CG ASN A 70 3.451 -7.780 4.328 1.00 0.00 C ATOM 1070 OD1 ASN A 70 4.271 -7.931 3.430 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.356 -8.671 5.296 1.00 0.00 N ATOM 0 H ASN A 70 5.238 -5.136 4.820 1.00 0.00 H new ATOM 0 HA ASN A 70 3.745 -5.223 3.242 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.959 -6.584 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.778 -6.677 3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.966 -9.488 5.298 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.672 -8.543 6.042 1.00 0.00 H new ATOM 1078 N LEU A 71 2.705 -2.830 4.601 1.00 0.00 N ATOM 1079 CA LEU A 71 1.864 -1.629 4.728 1.00 0.00 C ATOM 1080 C LEU A 71 2.602 -0.381 4.227 1.00 0.00 C ATOM 1081 O LEU A 71 3.759 -0.163 4.574 1.00 0.00 O ATOM 1082 CB LEU A 71 1.466 -1.465 6.210 1.00 0.00 C ATOM 1083 CG LEU A 71 0.327 -0.454 6.465 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.035 -0.995 6.005 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.245 -0.125 7.963 1.00 0.00 C ATOM 0 H LEU A 71 3.668 -2.672 4.897 1.00 0.00 H new ATOM 0 HA LEU A 71 0.972 -1.746 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.165 -2.437 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.344 -1.152 6.775 1.00 0.00 H new ATOM 0 HG LEU A 71 0.556 0.442 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.807 -0.252 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.000 -1.206 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.265 -1.911 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.561 0.589 8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.048 -1.037 8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.190 0.308 8.293 1.00 0.00 H new ATOM 1097 N PHE A 72 1.929 0.465 3.451 1.00 0.00 N ATOM 1098 CA PHE A 72 2.460 1.722 2.926 1.00 0.00 C ATOM 1099 C PHE A 72 1.499 2.869 3.257 1.00 0.00 C ATOM 1100 O PHE A 72 0.293 2.748 3.044 1.00 0.00 O ATOM 1101 CB PHE A 72 2.661 1.565 1.412 1.00 0.00 C ATOM 1102 CG PHE A 72 2.988 2.859 0.695 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.227 3.495 0.908 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.034 3.446 -0.157 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.503 4.724 0.281 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.315 4.668 -0.789 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.543 5.309 -0.565 1.00 0.00 C ATOM 0 H PHE A 72 0.967 0.289 3.160 1.00 0.00 H new ATOM 0 HA PHE A 72 3.419 1.960 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.465 0.851 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.756 1.140 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.964 3.039 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.086 2.957 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.449 5.217 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.585 5.115 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.752 6.254 -1.044 1.00 0.00 H new ATOM 1117 N SER A 73 2.022 3.981 3.775 1.00 0.00 N ATOM 1118 CA SER A 73 1.193 5.133 4.178 1.00 0.00 C ATOM 1119 C SER A 73 1.827 6.510 3.898 1.00 0.00 C ATOM 1120 O SER A 73 3.048 6.679 3.920 1.00 0.00 O ATOM 1121 CB SER A 73 0.825 4.997 5.661 1.00 0.00 C ATOM 1122 OG SER A 73 -0.151 5.947 6.064 1.00 0.00 O ATOM 0 H SER A 73 3.021 4.115 3.929 1.00 0.00 H new ATOM 0 HA SER A 73 0.300 5.104 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.449 3.991 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.722 5.121 6.268 1.00 0.00 H new ATOM 0 HG SER A 73 -0.758 6.129 5.317 1.00 0.00 H new ATOM 1128 N PHE A 74 0.981 7.521 3.672 1.00 0.00 N ATOM 1129 CA PHE A 74 1.397 8.909 3.425 1.00 0.00 C ATOM 1130 C PHE A 74 0.370 9.944 3.913 1.00 0.00 C ATOM 1131 O PHE A 74 -0.826 9.661 4.008 1.00 0.00 O ATOM 1132 CB PHE A 74 1.750 9.102 1.939 1.00 0.00 C ATOM 1133 CG PHE A 74 0.625 8.797 0.966 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.328 9.782 0.640 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.530 7.518 0.387 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.367 9.487 -0.259 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.505 7.226 -0.517 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.457 8.209 -0.836 1.00 0.00 C ATOM 0 H PHE A 74 -0.031 7.397 3.655 1.00 0.00 H new ATOM 0 HA PHE A 74 2.292 9.090 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.071 10.133 1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.601 8.465 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.260 10.765 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.255 6.758 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.097 10.243 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.569 6.246 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.258 7.982 -1.524 1.00 0.00 H new ATOM 1148 N GLU A 75 0.858 11.150 4.229 1.00 0.00 N ATOM 1149 CA GLU A 75 0.069 12.290 4.696 1.00 0.00 C ATOM 1150 C GLU A 75 0.020 13.374 3.610 1.00 0.00 C ATOM 1151 O GLU A 75 1.054 13.882 3.179 1.00 0.00 O ATOM 1152 CB GLU A 75 0.675 12.848 5.994 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.223 13.921 6.622 1.00 0.00 C ATOM 1154 CD GLU A 75 0.384 14.463 7.918 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.480 13.704 8.910 1.00 0.00 O ATOM 1156 OE2 GLU A 75 0.781 15.649 7.957 1.00 0.00 O ATOM 0 H GLU A 75 1.853 11.364 4.163 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.950 11.962 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.824 12.036 6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.657 13.272 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.366 14.738 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.208 13.500 6.827 1.00 0.00 H new ATOM 1163 N SER A 76 -1.187 13.748 3.198 1.00 0.00 N ATOM 1164 CA SER A 76 -1.458 14.703 2.117 1.00 0.00 C ATOM 1165 C SER A 76 -2.078 15.998 2.660 1.00 0.00 C ATOM 1166 O SER A 76 -2.967 15.957 3.518 1.00 0.00 O ATOM 1167 CB SER A 76 -2.437 14.079 1.109 1.00 0.00 C ATOM 1168 OG SER A 76 -1.950 12.861 0.563 1.00 0.00 O ATOM 0 H SER A 76 -2.040 13.383 3.621 1.00 0.00 H new ATOM 0 HA SER A 76 -0.509 14.939 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.393 13.897 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.623 14.787 0.302 1.00 0.00 H new ATOM 0 HG SER A 76 -2.329 12.729 -0.331 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.633 17.151 2.144 1.00 0.00 N ATOM 1175 CA GLY A 77 -2.160 18.480 2.490 1.00 0.00 C ATOM 1176 C GLY A 77 -3.507 18.806 1.831 1.00 0.00 C ATOM 1177 O GLY A 77 -4.076 18.006 1.090 1.00 0.00 O ATOM 0 H GLY A 77 -0.879 17.188 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.271 18.545 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.431 19.236 2.198 1.00 0.00 H new ATOM 1181 N ARG A 78 -4.013 20.020 2.074 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.318 20.521 1.586 1.00 0.00 C ATOM 1183 C ARG A 78 -5.324 20.989 0.110 1.00 0.00 C ATOM 1184 O ARG A 78 -6.036 21.930 -0.248 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.879 21.563 2.574 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.959 22.770 2.830 1.00 0.00 C ATOM 1187 CD ARG A 78 -5.542 23.700 3.901 1.00 0.00 C ATOM 1188 NE ARG A 78 -5.675 23.020 5.205 1.00 0.00 N ATOM 1189 CZ ARG A 78 -6.255 23.492 6.298 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -6.742 24.714 6.372 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -6.350 22.703 7.343 1.00 0.00 N ATOM 0 H ARG A 78 -3.514 20.710 2.635 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.000 19.671 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.834 21.926 2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.081 21.070 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.976 22.420 3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.817 23.325 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.901 24.575 4.011 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.519 24.060 3.577 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.276 22.084 5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.680 25.337 5.567 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.181 25.037 7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.982 21.753 7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.792 23.040 8.198 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.520 20.341 -0.746 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.256 20.705 -2.152 1.00 0.00 C ATOM 1207 C ARG A 79 -4.420 19.501 -3.111 1.00 0.00 C ATOM 1208 O ARG A 79 -3.648 19.339 -4.058 1.00 0.00 O ATOM 1209 CB ARG A 79 -2.862 21.365 -2.259 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.726 22.610 -1.361 1.00 0.00 C ATOM 1211 CD ARG A 79 -1.464 23.428 -1.658 1.00 0.00 C ATOM 1212 NE ARG A 79 -0.219 22.737 -1.264 1.00 0.00 N ATOM 1213 CZ ARG A 79 1.009 23.233 -1.383 1.00 0.00 C ATOM 1214 NH1 ARG A 79 1.232 24.425 -1.897 1.00 0.00 N ATOM 1215 NH2 ARG A 79 2.050 22.536 -0.980 1.00 0.00 N ATOM 0 H ARG A 79 -4.008 19.505 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.004 21.430 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.098 20.638 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.676 21.647 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.603 23.244 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.713 22.298 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.426 23.652 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.525 24.382 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.309 21.801 -0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.450 24.996 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.186 24.777 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.917 21.610 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.989 22.922 -1.074 1.00 0.00 H new ATOM 1229 N CYS A 80 -5.409 18.636 -2.843 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.606 17.327 -3.497 1.00 0.00 C ATOM 1231 C CYS A 80 -7.056 17.116 -3.975 1.00 0.00 C ATOM 1232 O CYS A 80 -7.968 17.823 -3.540 1.00 0.00 O ATOM 1233 CB CYS A 80 -5.228 16.203 -2.506 1.00 0.00 C ATOM 1234 SG CYS A 80 -3.641 16.525 -1.701 1.00 0.00 S ATOM 0 H CYS A 80 -6.121 18.833 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.965 17.302 -4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.007 16.108 -1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.181 15.252 -3.036 1.00 0.00 H new ATOM 0 HG CYS A 80 -3.844 17.129 -0.568 1.00 0.00 H new ATOM 1240 N GLN A 81 -7.285 16.073 -4.782 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.634 15.598 -5.140 1.00 0.00 C ATOM 1242 C GLN A 81 -9.437 15.133 -3.907 1.00 0.00 C ATOM 1243 O GLN A 81 -10.667 15.215 -3.905 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.519 14.418 -6.124 1.00 0.00 C ATOM 1245 CG GLN A 81 -8.088 14.820 -7.543 1.00 0.00 C ATOM 1246 CD GLN A 81 -7.817 13.585 -8.408 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -6.679 13.255 -8.704 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -8.820 12.832 -8.809 1.00 0.00 N ATOM 0 H GLN A 81 -6.536 15.529 -5.210 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.162 16.437 -5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.802 13.699 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.482 13.910 -6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.867 15.427 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.191 15.437 -7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.778 13.090 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.639 11.991 -9.356 1.00 0.00 H new ATOM 1257 N THR A 82 -8.741 14.657 -2.863 1.00 0.00 N ATOM 1258 CA THR A 82 -9.307 14.073 -1.637 1.00 0.00 C ATOM 1259 C THR A 82 -9.329 15.025 -0.440 1.00 0.00 C ATOM 1260 O THR A 82 -9.940 14.698 0.578 1.00 0.00 O ATOM 1261 CB THR A 82 -8.501 12.823 -1.259 1.00 0.00 C ATOM 1262 OG1 THR A 82 -7.128 13.160 -1.169 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.652 11.710 -2.293 1.00 0.00 C ATOM 0 H THR A 82 -7.721 14.669 -2.850 1.00 0.00 H new ATOM 0 HA THR A 82 -10.346 13.835 -1.864 1.00 0.00 H new ATOM 0 HB THR A 82 -8.884 12.464 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.744 12.756 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.065 10.845 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.702 11.427 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.298 12.063 -3.262 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.658 16.179 -0.534 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.410 17.076 0.599 1.00 0.00 C ATOM 1273 C GLY A 83 -7.287 16.565 1.510 1.00 0.00 C ATOM 1274 O GLY A 83 -6.503 15.690 1.135 1.00 0.00 O ATOM 0 H GLY A 83 -8.267 16.520 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.150 18.066 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.325 17.185 1.180 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.205 17.140 2.710 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.176 16.831 3.708 1.00 0.00 C ATOM 1280 C GLN A 84 -6.503 15.530 4.465 1.00 0.00 C ATOM 1281 O GLN A 84 -7.645 15.326 4.888 1.00 0.00 O ATOM 1282 CB GLN A 84 -6.052 18.035 4.658 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.863 17.949 5.628 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.686 19.201 6.495 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -5.146 20.298 6.190 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -4.002 19.097 7.615 1.00 0.00 N ATOM 0 H GLN A 84 -7.866 17.850 3.024 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.218 16.660 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.958 18.944 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.972 18.125 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.996 17.084 6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.950 17.781 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.609 18.197 7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.865 19.916 8.207 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.503 14.660 4.662 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.664 13.393 5.390 1.00 0.00 C ATOM 1297 C GLY A 85 -4.467 12.444 5.312 1.00 0.00 C ATOM 1298 O GLY A 85 -3.444 12.748 4.698 1.00 0.00 O ATOM 0 H GLY A 85 -4.555 14.816 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.863 13.617 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.543 12.878 5.002 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.610 11.274 5.941 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.625 10.176 5.941 1.00 0.00 C ATOM 1304 C ILE A 86 -4.253 8.962 5.250 1.00 0.00 C ATOM 1305 O ILE A 86 -5.319 8.500 5.665 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.178 9.836 7.385 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.476 11.043 8.051 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.242 8.607 7.385 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.221 10.860 9.553 1.00 0.00 C ATOM 0 H ILE A 86 -5.443 11.052 6.486 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.731 10.479 5.396 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.070 9.600 7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.525 11.220 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.086 11.934 7.901 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.937 8.382 8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.768 7.749 6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.360 8.822 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.726 11.747 9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.170 10.714 10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.585 9.989 9.711 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.582 8.443 4.221 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.055 7.344 3.378 1.00 0.00 C ATOM 1323 C PHE A 87 -3.081 6.164 3.464 1.00 0.00 C ATOM 1324 O PHE A 87 -1.874 6.337 3.277 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.197 7.841 1.930 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.185 8.978 1.760 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.554 8.698 1.581 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.745 10.315 1.812 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.479 9.749 1.465 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.673 11.366 1.713 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.039 11.082 1.548 1.00 0.00 C ATOM 0 H PHE A 87 -2.663 8.788 3.942 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.030 7.002 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.220 8.166 1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.507 7.007 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.893 7.674 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.694 10.533 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.526 9.534 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.336 12.391 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.753 11.890 1.485 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.611 4.965 3.733 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.823 3.757 3.971 1.00 0.00 C ATOM 1343 C ALA A 88 -3.368 2.545 3.208 1.00 0.00 C ATOM 1344 O ALA A 88 -4.584 2.343 3.076 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.768 3.482 5.473 1.00 0.00 C ATOM 0 H ALA A 88 -4.617 4.808 3.792 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.815 3.927 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.181 2.582 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.304 4.327 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.779 3.340 5.854 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.427 1.733 2.726 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.672 0.624 1.811 1.00 0.00 C ATOM 1353 C PHE A 89 -1.835 -0.604 2.191 1.00 0.00 C ATOM 1354 O PHE A 89 -0.643 -0.489 2.481 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.368 1.064 0.368 1.00 0.00 C ATOM 1356 CG PHE A 89 -3.056 2.341 -0.086 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.506 3.596 0.243 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.252 2.280 -0.822 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.175 4.779 -0.117 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.916 3.464 -1.189 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.383 4.714 -0.828 1.00 0.00 C ATOM 0 H PHE A 89 -1.442 1.834 2.971 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.722 0.341 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.291 1.197 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.655 0.258 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.567 3.649 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.662 1.322 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.759 5.738 0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.838 3.413 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.902 5.622 -1.097 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.446 -1.790 2.160 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.750 -3.066 2.310 1.00 0.00 C ATOM 1373 C LYS A 90 -1.179 -3.514 0.960 1.00 0.00 C ATOM 1374 O LYS A 90 -1.872 -3.474 -0.062 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.700 -4.125 2.889 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.777 -4.034 4.418 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.688 -5.131 4.987 1.00 0.00 C ATOM 1378 CE LYS A 90 -3.623 -5.123 6.520 1.00 0.00 C ATOM 1379 NZ LYS A 90 -4.546 -6.125 7.112 1.00 0.00 N ATOM 0 H LYS A 90 -3.452 -1.891 2.028 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.921 -2.941 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.695 -3.993 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.359 -5.119 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.778 -4.129 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.155 -3.054 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.714 -4.970 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.380 -6.105 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.603 -5.332 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.877 -4.130 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.201 -6.401 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.497 -5.713 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.587 -6.964 6.499 1.00 0.00 H new ATOM 1393 N CYS A 91 0.078 -3.957 0.990 1.00 0.00 N ATOM 1394 CA CYS A 91 0.850 -4.451 -0.150 1.00 0.00 C ATOM 1395 C CYS A 91 2.218 -4.993 0.310 1.00 0.00 C ATOM 1396 O CYS A 91 2.961 -4.302 1.005 1.00 0.00 O ATOM 1397 CB CYS A 91 1.008 -3.333 -1.206 1.00 0.00 C ATOM 1398 SG CYS A 91 1.659 -1.802 -0.467 1.00 0.00 S ATOM 0 H CYS A 91 0.614 -3.982 1.858 1.00 0.00 H new ATOM 0 HA CYS A 91 0.311 -5.279 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.679 -3.670 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.043 -3.132 -1.671 1.00 0.00 H new ATOM 0 HG CYS A 91 0.915 -0.798 -0.823 1.00 0.00 H new ATOM 1404 N SER A 92 2.609 -6.192 -0.125 1.00 0.00 N ATOM 1405 CA SER A 92 3.962 -6.738 0.130 1.00 0.00 C ATOM 1406 C SER A 92 5.074 -5.859 -0.483 1.00 0.00 C ATOM 1407 O SER A 92 6.193 -5.792 0.032 1.00 0.00 O ATOM 1408 CB SER A 92 4.019 -8.179 -0.409 1.00 0.00 C ATOM 1409 OG SER A 92 5.314 -8.763 -0.333 1.00 0.00 O ATOM 0 H SER A 92 2.007 -6.816 -0.662 1.00 0.00 H new ATOM 0 HA SER A 92 4.145 -6.740 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.317 -8.796 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.688 -8.183 -1.447 1.00 0.00 H new ATOM 0 HG SER A 92 5.283 -9.676 -0.688 1.00 0.00 H new ATOM 1415 N ARG A 93 4.740 -5.104 -1.539 1.00 0.00 N ATOM 1416 CA ARG A 93 5.639 -4.194 -2.260 1.00 0.00 C ATOM 1417 C ARG A 93 5.847 -2.841 -1.549 1.00 0.00 C ATOM 1418 O ARG A 93 6.505 -1.964 -2.108 1.00 0.00 O ATOM 1419 CB ARG A 93 5.125 -3.979 -3.701 1.00 0.00 C ATOM 1420 CG ARG A 93 4.709 -5.242 -4.494 1.00 0.00 C ATOM 1421 CD ARG A 93 5.831 -5.949 -5.271 1.00 0.00 C ATOM 1422 NE ARG A 93 7.002 -6.284 -4.450 1.00 0.00 N ATOM 1423 CZ ARG A 93 7.099 -7.141 -3.446 1.00 0.00 C ATOM 1424 NH1 ARG A 93 6.107 -7.919 -3.068 1.00 0.00 N ATOM 1425 NH2 ARG A 93 8.242 -7.185 -2.806 1.00 0.00 N ATOM 0 H ARG A 93 3.798 -5.111 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 93 6.618 -4.673 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.267 -3.308 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.903 -3.466 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.271 -5.956 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.926 -4.963 -5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.434 -6.864 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.148 -5.310 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 93 7.860 -5.787 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.212 -7.878 -3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.233 -8.563 -2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.009 -6.575 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.365 -7.830 -2.025 1.00 0.00 H new ATOM 1439 N ALA A 94 5.317 -2.642 -0.334 1.00 0.00 N ATOM 1440 CA ALA A 94 5.379 -1.379 0.418 1.00 0.00 C ATOM 1441 C ALA A 94 6.791 -0.775 0.528 1.00 0.00 C ATOM 1442 O ALA A 94 6.953 0.435 0.375 1.00 0.00 O ATOM 1443 CB ALA A 94 4.805 -1.633 1.816 1.00 0.00 C ATOM 0 H ALA A 94 4.818 -3.377 0.168 1.00 0.00 H new ATOM 0 HA ALA A 94 4.795 -0.642 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.839 -0.711 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.772 -1.969 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.395 -2.400 2.318 1.00 0.00 H new ATOM 1449 N GLU A 95 7.807 -1.621 0.726 1.00 0.00 N ATOM 1450 CA GLU A 95 9.217 -1.218 0.766 1.00 0.00 C ATOM 1451 C GLU A 95 9.689 -0.640 -0.578 1.00 0.00 C ATOM 1452 O GLU A 95 10.412 0.354 -0.604 1.00 0.00 O ATOM 1453 CB GLU A 95 10.063 -2.439 1.171 1.00 0.00 C ATOM 1454 CG GLU A 95 11.550 -2.124 1.365 1.00 0.00 C ATOM 1455 CD GLU A 95 12.318 -3.378 1.808 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.315 -3.706 3.018 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.935 -4.046 0.946 1.00 0.00 O ATOM 0 H GLU A 95 7.671 -2.622 0.865 1.00 0.00 H new ATOM 0 HA GLU A 95 9.337 -0.422 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.665 -2.854 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.961 -3.210 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.971 -1.744 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.666 -1.338 2.111 1.00 0.00 H new ATOM 1464 N GLU A 96 9.265 -1.223 -1.702 1.00 0.00 N ATOM 1465 CA GLU A 96 9.655 -0.771 -3.039 1.00 0.00 C ATOM 1466 C GLU A 96 8.915 0.510 -3.437 1.00 0.00 C ATOM 1467 O GLU A 96 9.516 1.394 -4.046 1.00 0.00 O ATOM 1468 CB GLU A 96 9.393 -1.872 -4.082 1.00 0.00 C ATOM 1469 CG GLU A 96 10.296 -3.085 -3.840 1.00 0.00 C ATOM 1470 CD GLU A 96 10.065 -4.202 -4.862 1.00 0.00 C ATOM 1471 OE1 GLU A 96 10.360 -4.010 -6.065 1.00 0.00 O ATOM 1472 OE2 GLU A 96 9.599 -5.287 -4.444 1.00 0.00 O ATOM 0 H GLU A 96 8.637 -2.027 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 96 10.723 -0.553 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.348 -2.178 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.568 -1.478 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.339 -2.771 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.118 -3.472 -2.837 1.00 0.00 H new ATOM 1479 N ILE A 97 7.642 0.654 -3.045 1.00 0.00 N ATOM 1480 CA ILE A 97 6.888 1.907 -3.227 1.00 0.00 C ATOM 1481 C ILE A 97 7.557 3.038 -2.436 1.00 0.00 C ATOM 1482 O ILE A 97 7.785 4.109 -2.996 1.00 0.00 O ATOM 1483 CB ILE A 97 5.396 1.756 -2.839 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.698 0.631 -3.642 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.662 3.089 -3.083 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.324 0.245 -3.082 1.00 0.00 C ATOM 0 H ILE A 97 7.106 -0.088 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 97 6.906 2.158 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 97 5.355 1.488 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.583 0.952 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.339 -0.250 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.612 2.982 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.117 3.871 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.737 3.358 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.892 -0.548 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.435 -0.106 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.667 1.114 -3.099 1.00 0.00 H new ATOM 1498 N PHE A 98 7.934 2.799 -1.172 1.00 0.00 N ATOM 1499 CA PHE A 98 8.637 3.775 -0.346 1.00 0.00 C ATOM 1500 C PHE A 98 9.993 4.183 -0.942 1.00 0.00 C ATOM 1501 O PHE A 98 10.280 5.377 -1.039 1.00 0.00 O ATOM 1502 CB PHE A 98 8.790 3.179 1.055 1.00 0.00 C ATOM 1503 CG PHE A 98 9.598 4.034 2.008 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.974 5.064 2.734 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.974 3.788 2.177 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.723 5.837 3.638 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.721 4.564 3.079 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.095 5.585 3.813 1.00 0.00 C ATOM 0 H PHE A 98 7.756 1.915 -0.696 1.00 0.00 H new ATOM 0 HA PHE A 98 8.055 4.696 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.799 3.019 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.263 2.201 0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.921 5.261 2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.455 3.003 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.244 6.626 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.777 4.376 3.208 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.668 6.177 4.512 1.00 0.00 H new ATOM 1518 N ASN A 99 10.807 3.215 -1.386 1.00 0.00 N ATOM 1519 CA ASN A 99 12.092 3.488 -2.039 1.00 0.00 C ATOM 1520 C ASN A 99 11.931 4.283 -3.345 1.00 0.00 C ATOM 1521 O ASN A 99 12.686 5.229 -3.580 1.00 0.00 O ATOM 1522 CB ASN A 99 12.848 2.178 -2.309 1.00 0.00 C ATOM 1523 CG ASN A 99 13.664 1.731 -1.103 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.768 2.210 -0.870 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.155 0.806 -0.314 1.00 0.00 N ATOM 0 H ASN A 99 10.592 2.221 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 99 12.671 4.106 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.136 1.397 -2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.509 2.311 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.681 0.483 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.236 0.413 -0.516 1.00 0.00 H new ATOM 1532 N LEU A 100 10.934 3.947 -4.170 1.00 0.00 N ATOM 1533 CA LEU A 100 10.639 4.665 -5.408 1.00 0.00 C ATOM 1534 C LEU A 100 10.146 6.092 -5.123 1.00 0.00 C ATOM 1535 O LEU A 100 10.617 7.035 -5.755 1.00 0.00 O ATOM 1536 CB LEU A 100 9.633 3.827 -6.218 1.00 0.00 C ATOM 1537 CG LEU A 100 9.266 4.423 -7.587 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.489 4.579 -8.506 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.230 3.526 -8.274 1.00 0.00 C ATOM 0 H LEU A 100 10.306 3.163 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 100 11.544 4.790 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.047 2.830 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.722 3.708 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 100 8.857 5.418 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.176 5.004 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.216 5.241 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.944 3.603 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.970 3.948 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.647 2.528 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.336 3.463 -7.654 1.00 0.00 H new ATOM 1551 N LEU A 101 9.265 6.266 -4.133 1.00 0.00 N ATOM 1552 CA LEU A 101 8.755 7.568 -3.700 1.00 0.00 C ATOM 1553 C LEU A 101 9.882 8.520 -3.291 1.00 0.00 C ATOM 1554 O LEU A 101 9.972 9.615 -3.842 1.00 0.00 O ATOM 1555 CB LEU A 101 7.743 7.359 -2.555 1.00 0.00 C ATOM 1556 CG LEU A 101 7.070 8.653 -2.060 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.240 9.332 -3.160 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.161 8.329 -0.873 1.00 0.00 C ATOM 0 H LEU A 101 8.879 5.487 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 101 8.250 8.043 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.971 6.667 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.253 6.885 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 101 7.860 9.344 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.785 10.240 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.887 9.587 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.458 8.652 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.683 9.243 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.397 7.617 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.754 7.896 -0.068 1.00 0.00 H new ATOM 1570 N GLN A 102 10.754 8.111 -2.364 1.00 0.00 N ATOM 1571 CA GLN A 102 11.843 8.977 -1.907 1.00 0.00 C ATOM 1572 C GLN A 102 12.857 9.299 -3.015 1.00 0.00 C ATOM 1573 O GLN A 102 13.416 10.395 -3.022 1.00 0.00 O ATOM 1574 CB GLN A 102 12.513 8.402 -0.650 1.00 0.00 C ATOM 1575 CG GLN A 102 13.243 7.067 -0.837 1.00 0.00 C ATOM 1576 CD GLN A 102 13.827 6.500 0.461 1.00 0.00 C ATOM 1577 OE1 GLN A 102 13.576 6.966 1.565 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.643 5.468 0.383 1.00 0.00 N ATOM 0 H GLN A 102 10.727 7.194 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 102 11.397 9.934 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.226 9.135 -0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.751 8.274 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.551 6.340 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.048 7.201 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.867 5.063 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.050 5.075 1.231 1.00 0.00 H new ATOM 1587 N ASP A 103 13.050 8.400 -3.991 1.00 0.00 N ATOM 1588 CA ASP A 103 13.895 8.673 -5.158 1.00 0.00 C ATOM 1589 C ASP A 103 13.307 9.771 -6.054 1.00 0.00 C ATOM 1590 O ASP A 103 13.999 10.711 -6.444 1.00 0.00 O ATOM 1591 CB ASP A 103 14.130 7.409 -6.003 1.00 0.00 C ATOM 1592 CG ASP A 103 15.434 7.517 -6.819 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.461 7.971 -6.257 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.430 7.126 -8.011 1.00 0.00 O ATOM 0 H ASP A 103 12.628 7.471 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 103 14.849 9.018 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.177 6.537 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.287 7.258 -6.678 1.00 0.00 H new ATOM 1599 N LEU A 104 12.007 9.679 -6.340 1.00 0.00 N ATOM 1600 CA LEU A 104 11.295 10.613 -7.210 1.00 0.00 C ATOM 1601 C LEU A 104 11.012 11.964 -6.529 1.00 0.00 C ATOM 1602 O LEU A 104 10.681 12.935 -7.211 1.00 0.00 O ATOM 1603 CB LEU A 104 10.030 9.920 -7.738 1.00 0.00 C ATOM 1604 CG LEU A 104 10.324 8.654 -8.574 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.998 7.931 -8.835 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.988 8.985 -9.919 1.00 0.00 C ATOM 0 H LEU A 104 11.411 8.941 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 104 11.930 10.872 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.395 9.649 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.466 10.626 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 104 11.017 8.028 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.183 7.033 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.542 7.654 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.325 8.592 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.174 8.063 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.329 9.628 -10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.933 9.499 -9.742 1.00 0.00 H new ATOM 1618 N MET A 105 11.217 12.050 -5.209 1.00 0.00 N ATOM 1619 CA MET A 105 11.197 13.296 -4.431 1.00 0.00 C ATOM 1620 C MET A 105 12.591 13.932 -4.259 1.00 0.00 C ATOM 1621 O MET A 105 12.660 15.120 -3.939 1.00 0.00 O ATOM 1622 CB MET A 105 10.525 13.043 -3.069 1.00 0.00 C ATOM 1623 CG MET A 105 9.045 12.670 -3.232 1.00 0.00 C ATOM 1624 SD MET A 105 8.211 12.203 -1.695 1.00 0.00 S ATOM 1625 CE MET A 105 7.465 13.779 -1.220 1.00 0.00 C ATOM 0 H MET A 105 11.407 11.229 -4.634 1.00 0.00 H new ATOM 0 HA MET A 105 10.614 14.023 -4.996 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.048 12.241 -2.548 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.610 13.935 -2.449 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.517 13.515 -3.674 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.968 11.843 -3.937 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.163 13.738 -0.174 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.190 14.581 -1.357 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.591 13.970 -1.843 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.544 5.704 2.668 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.566 5.960 4.109 1.00 0.00 C ATOM 2021 C PHE A 136 -9.411 6.876 4.539 1.00 0.00 C ATOM 2022 O PHE A 136 -8.271 6.694 4.102 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.540 4.617 4.848 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.912 4.700 6.315 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.951 5.064 7.279 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.232 4.416 6.716 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.320 5.151 8.632 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.594 4.500 8.072 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.637 4.870 9.030 1.00 0.00 C ATOM 0 HA PHE A 136 -11.482 6.491 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.225 3.930 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.541 4.189 4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.935 5.275 6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.969 4.133 5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.586 5.436 9.371 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.607 4.280 8.376 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.913 4.938 10.072 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.713 7.840 5.420 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.747 8.769 6.016 1.00 0.00 C ATOM 2041 C ARG A 137 -8.486 8.367 7.473 1.00 0.00 C ATOM 2042 O ARG A 137 -9.398 8.420 8.304 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.252 10.226 5.941 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.227 10.841 4.530 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.419 10.474 3.632 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.679 11.077 4.109 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.910 10.768 3.711 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -13.162 9.779 2.879 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.930 11.469 4.156 1.00 0.00 N ATOM 0 H ARG A 137 -10.666 7.998 5.747 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.816 8.714 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.273 10.263 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.643 10.842 6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.186 11.926 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.309 10.530 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.221 10.807 2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.526 9.390 3.598 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.597 11.806 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.396 9.213 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.123 9.578 2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.774 12.243 4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.877 11.238 3.856 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.252 7.972 7.791 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.841 7.601 9.153 1.00 0.00 C ATOM 2065 C LEU A 138 -6.702 8.842 10.048 1.00 0.00 C ATOM 2066 O LEU A 138 -6.277 9.905 9.585 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.513 6.824 9.120 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.517 5.502 8.330 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.111 4.902 8.388 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.496 4.464 8.886 1.00 0.00 C ATOM 0 H LEU A 138 -6.500 7.899 7.106 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.617 6.962 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.747 7.473 8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.217 6.609 10.147 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.831 5.737 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.093 3.964 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.399 5.599 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.838 4.715 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.447 3.558 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.230 4.228 9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.509 4.866 8.856 1.00 0.00 H new ATOM 2082 N ARG A 139 -7.013 8.691 11.341 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.800 9.738 12.355 1.00 0.00 C ATOM 2084 C ARG A 139 -5.320 9.912 12.722 1.00 0.00 C ATOM 2085 O ARG A 139 -4.875 11.019 13.025 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.586 9.405 13.631 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.104 9.493 13.417 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.861 9.271 14.731 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.315 9.392 14.529 1.00 0.00 N ATOM 2090 CZ ARG A 139 -12.246 9.410 15.478 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.944 9.303 16.756 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.512 9.538 15.148 1.00 0.00 N ATOM 0 H ARG A 139 -7.422 7.836 11.718 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.153 10.672 11.917 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.325 8.400 13.964 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.293 10.091 14.426 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.360 10.470 13.007 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.415 8.748 12.684 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.626 8.283 15.128 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.531 9.999 15.472 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.640 9.470 13.565 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.970 9.203 17.043 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.684 9.321 17.458 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.777 9.623 14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -14.229 9.552 15.873 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.563 8.815 12.687 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.169 8.708 13.135 1.00 0.00 C ATOM 2108 C HIS A 140 -2.293 7.968 12.102 1.00 0.00 C ATOM 2109 O HIS A 140 -2.782 7.104 11.368 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.144 7.980 14.493 1.00 0.00 C ATOM 2111 CG HIS A 140 -4.080 8.543 15.535 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -5.081 7.822 16.191 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.114 9.836 15.967 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -5.688 8.702 17.006 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -5.130 9.920 16.892 1.00 0.00 N ATOM 0 H HIS A 140 -4.921 7.930 12.327 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.752 9.710 13.241 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.393 6.931 14.331 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -2.128 8.009 14.885 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -3.468 10.640 15.645 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -6.511 8.463 17.663 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.410 10.758 17.401 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.998 8.295 12.042 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.068 7.704 11.073 1.00 0.00 C ATOM 2125 C PHE A 141 0.335 6.269 11.497 1.00 0.00 C ATOM 2126 O PHE A 141 0.826 6.103 12.619 1.00 0.00 O ATOM 2127 CB PHE A 141 1.140 8.637 10.906 1.00 0.00 C ATOM 2128 CG PHE A 141 1.905 8.365 9.630 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.415 8.861 8.408 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.084 7.600 9.652 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.093 8.581 7.212 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.767 7.326 8.454 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.265 7.808 7.234 1.00 0.00 C ATOM 0 H PHE A 141 -0.564 8.977 12.664 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.554 7.605 10.102 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.799 9.672 10.909 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.808 8.519 11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.515 9.458 8.391 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.465 7.223 10.589 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.714 8.960 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.677 6.745 8.472 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.781 7.584 6.312 1.00 0.00 H new ATOM 2143 N PRO A 142 0.130 5.234 10.651 1.00 0.00 N ATOM 2144 CA PRO A 142 0.266 3.833 11.055 1.00 0.00 C ATOM 2145 C PRO A 142 1.677 3.247 10.880 1.00 0.00 C ATOM 2146 O PRO A 142 2.000 2.258 11.537 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.733 3.087 10.166 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.644 3.859 8.852 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.482 5.304 9.329 1.00 0.00 C ATOM 0 HA PRO A 142 0.076 3.736 12.124 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.461 2.039 10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.740 3.107 10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.202 3.534 8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.539 3.730 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.144 5.872 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.447 5.809 9.374 1.00 0.00 H new ATOM 2157 N CYS A 143 2.516 3.825 10.010 1.00 0.00 N ATOM 2158 CA CYS A 143 3.825 3.273 9.641 1.00 0.00 C ATOM 2159 C CYS A 143 4.963 3.864 10.489 1.00 0.00 C ATOM 2160 O CYS A 143 5.038 5.081 10.672 1.00 0.00 O ATOM 2161 CB CYS A 143 4.058 3.525 8.142 1.00 0.00 C ATOM 2162 SG CYS A 143 2.892 2.567 7.128 1.00 0.00 S ATOM 0 H CYS A 143 2.301 4.702 9.536 1.00 0.00 H new ATOM 0 HA CYS A 143 3.825 2.201 9.840 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.944 4.587 7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.081 3.254 7.879 1.00 0.00 H new ATOM 0 HG CYS A 143 3.115 2.805 5.869 1.00 0.00 H new ATOM 2168 N GLY A 144 5.882 3.018 10.969 1.00 0.00 N ATOM 2169 CA GLY A 144 7.005 3.443 11.818 1.00 0.00 C ATOM 2170 C GLY A 144 8.114 4.175 11.056 1.00 0.00 C ATOM 2171 O GLY A 144 8.684 5.140 11.567 1.00 0.00 O ATOM 0 H GLY A 144 5.869 2.016 10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.627 4.095 12.605 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.430 2.567 12.307 1.00 0.00 H new ATOM 2175 N ASN A 145 8.414 3.763 9.820 1.00 0.00 N ATOM 2176 CA ASN A 145 9.539 4.292 9.035 1.00 0.00 C ATOM 2177 C ASN A 145 9.188 5.603 8.302 1.00 0.00 C ATOM 2178 O ASN A 145 9.168 5.669 7.073 1.00 0.00 O ATOM 2179 CB ASN A 145 10.059 3.225 8.068 1.00 0.00 C ATOM 2180 CG ASN A 145 10.507 1.946 8.767 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.544 1.901 9.420 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.739 0.877 8.655 1.00 0.00 N ATOM 0 H ASN A 145 7.879 3.046 9.330 1.00 0.00 H new ATOM 0 HA ASN A 145 10.336 4.544 9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.276 2.983 7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.896 3.634 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.007 0.006 9.113 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.878 0.922 8.110 1.00 0.00 H new ATOM 2189 N VAL A 146 8.894 6.647 9.072 1.00 0.00 N ATOM 2190 CA VAL A 146 8.601 8.006 8.578 1.00 0.00 C ATOM 2191 C VAL A 146 9.861 8.636 7.968 1.00 0.00 C ATOM 2192 O VAL A 146 10.946 8.576 8.547 1.00 0.00 O ATOM 2193 CB VAL A 146 8.016 8.922 9.682 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.901 10.395 9.253 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.614 8.454 10.089 1.00 0.00 C ATOM 0 H VAL A 146 8.850 6.578 10.089 1.00 0.00 H new ATOM 0 HA VAL A 146 7.838 7.910 7.805 1.00 0.00 H new ATOM 0 HB VAL A 146 8.717 8.852 10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.484 10.981 10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.889 10.778 8.999 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.248 10.471 8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.222 9.111 10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.955 8.483 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.667 7.434 10.470 1.00 0.00 H new ATOM 2205 N ASN A 147 9.684 9.278 6.812 1.00 0.00 N ATOM 2206 CA ASN A 147 10.686 10.069 6.099 1.00 0.00 C ATOM 2207 C ASN A 147 10.044 11.312 5.439 1.00 0.00 C ATOM 2208 O ASN A 147 8.820 11.400 5.287 1.00 0.00 O ATOM 2209 CB ASN A 147 11.420 9.157 5.096 1.00 0.00 C ATOM 2210 CG ASN A 147 12.682 9.779 4.496 1.00 0.00 C ATOM 2211 OD1 ASN A 147 13.279 10.697 5.048 1.00 0.00 O ATOM 2212 ND2 ASN A 147 13.139 9.301 3.355 1.00 0.00 N ATOM 0 H ASN A 147 8.789 9.258 6.323 1.00 0.00 H new ATOM 0 HA ASN A 147 11.426 10.459 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.689 8.227 5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.736 8.898 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.983 9.695 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.649 8.538 2.889 1.00 0.00 H new ATOM 2219 N TYR A 148 10.875 12.295 5.080 1.00 0.00 N ATOM 2220 CA TYR A 148 10.475 13.633 4.628 1.00 0.00 C ATOM 2221 C TYR A 148 11.068 13.955 3.245 1.00 0.00 C ATOM 2222 O TYR A 148 12.245 13.690 2.985 1.00 0.00 O ATOM 2223 CB TYR A 148 10.914 14.677 5.671 1.00 0.00 C ATOM 2224 CG TYR A 148 10.587 14.334 7.117 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.267 14.012 7.491 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.612 14.307 8.085 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.975 13.645 8.820 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.324 13.954 9.418 1.00 0.00 C ATOM 2229 CZ TYR A 148 10.002 13.619 9.789 1.00 0.00 C ATOM 2230 OH TYR A 148 9.714 13.265 11.073 1.00 0.00 O ATOM 0 H TYR A 148 11.888 12.176 5.097 1.00 0.00 H new ATOM 0 HA TYR A 148 9.390 13.661 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.991 14.821 5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.444 15.630 5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.476 14.047 6.756 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.624 14.558 7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.965 13.383 9.098 1.00 0.00 H new ATOM 0 HE2 TYR A 148 12.113 13.939 10.156 1.00 0.00 H new ATOM 0 HH TYR A 148 10.532 13.297 11.612 1.00 0.00 H new