USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 635 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 417 HIS :FLIP no HE2:sc= -0.291 F(o=-2,f=0.093) USER MOD Set 1.2: A 421 CYS SG : rot -135:sc= 1.11 USER MOD Set 1.3: A 426 CYS SG : rot -119:sc= -0.557 USER MOD Set 1.4: A 429 CYS SG : rot 169:sc= -0.172 USER MOD Set 2.1: A 393 HIS :FLIP no HD1:sc= -0.0671 F(o=-0.99,f=0.67) USER MOD Set 2.2: A 397 CYS SG : rot 157:sc= 0.2 USER MOD Set 2.3: A 403 CYS SG : rot -119:sc= -0.273 USER MOD Set 2.4: A 408 CYS SG : rot 122:sc= 0.814 USER MOD Set 3.1: A 394 MET CE :methyl -178:sc= -0.198 (180deg=-0.0592) USER MOD Set 3.2: A 411 SER OG : rot -51:sc= 1.02 USER MOD Set 4.1: A 362 HIS :FLIP no HD1:sc= 0.452 F(o=-1.5,f=1.2) USER MOD Set 4.2: A 366 CYS SG : rot -155:sc= -0.363 USER MOD Set 4.3: A 384 CYS SG : rot 100:sc= 0.303 USER MOD Set 4.4: A 388 LYS NZ :NH3+ -177:sc= 0.802 (180deg=0.716) USER MOD Set 5.1: A 356 GLN : amide:sc= -0.141 K(o=-0.24,f=-1.8) USER MOD Set 5.2: A 387 MET CE :methyl 170:sc= -0.1 (180deg=-0.362) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 GLN : amide:sc=-0.00724 X(o=-0.0072,f=-0.058) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 364 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 371 GLN : amide:sc= 0.502 K(o=0.5,f=-0.00024) USER MOD Single : A 383 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 392 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 THR OG1 : rot -30:sc= 1.31 USER MOD Single : A 396 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 GLN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 407 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.044) USER MOD Single : A 410 SER OG : rot 87:sc= 0.734 USER MOD Single : A 413 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 416 SER OG : rot 88:sc=0.000683 USER MOD Single : A 419 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00474) USER MOD Single : A 420 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 HIS : no HE2:sc= 0.608 K(o=0.61,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 4.567 -15.078 15.925 1.00 0.00 N ATOM 85 CA PRO A 347 3.973 -13.743 15.962 1.00 0.00 C ATOM 86 C PRO A 347 4.684 -12.672 15.136 1.00 0.00 C ATOM 87 O PRO A 347 4.008 -11.851 14.524 1.00 0.00 O ATOM 88 CB PRO A 347 3.920 -13.341 17.439 1.00 0.00 C ATOM 89 CG PRO A 347 3.903 -14.675 18.177 1.00 0.00 C ATOM 90 CD PRO A 347 4.748 -15.577 17.282 1.00 0.00 C ATOM 0 HA PRO A 347 2.990 -13.802 15.494 1.00 0.00 H new ATOM 0 HB2 PRO A 347 4.783 -12.738 17.721 1.00 0.00 H new ATOM 0 HB3 PRO A 347 3.032 -12.749 17.661 1.00 0.00 H new ATOM 0 HG2 PRO A 347 4.328 -14.588 19.177 1.00 0.00 H new ATOM 0 HG3 PRO A 347 2.889 -15.058 18.293 1.00 0.00 H new ATOM 0 HD2 PRO A 347 5.798 -15.543 17.574 1.00 0.00 H new ATOM 0 HD3 PRO A 347 4.428 -16.616 17.362 1.00 0.00 H new ATOM 98 N GLU A 348 6.017 -12.680 15.051 1.00 0.00 N ATOM 99 CA GLU A 348 6.771 -11.711 14.249 1.00 0.00 C ATOM 100 C GLU A 348 6.469 -11.889 12.771 1.00 0.00 C ATOM 101 O GLU A 348 6.323 -10.898 12.064 1.00 0.00 O ATOM 102 CB GLU A 348 8.271 -11.790 14.548 1.00 0.00 C ATOM 103 CG GLU A 348 9.122 -10.831 13.703 1.00 0.00 C ATOM 104 CD GLU A 348 10.583 -10.821 14.191 1.00 0.00 C ATOM 105 OE1 GLU A 348 10.898 -10.090 15.162 1.00 0.00 O ATOM 106 OE2 GLU A 348 11.432 -11.537 13.604 1.00 0.00 O ATOM 0 H GLU A 348 6.605 -13.358 15.536 1.00 0.00 H new ATOM 0 HA GLU A 348 6.449 -10.708 14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.434 -11.572 15.603 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.613 -12.811 14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.086 -11.132 12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.708 -9.824 13.760 1.00 0.00 H new ATOM 113 N LYS A 349 6.282 -13.130 12.318 1.00 0.00 N ATOM 114 CA LYS A 349 5.876 -13.433 10.950 1.00 0.00 C ATOM 115 C LYS A 349 4.488 -12.848 10.703 1.00 0.00 C ATOM 116 O LYS A 349 4.323 -12.140 9.723 1.00 0.00 O ATOM 117 CB LYS A 349 5.955 -14.951 10.718 1.00 0.00 C ATOM 118 CG LYS A 349 6.051 -15.344 9.232 1.00 0.00 C ATOM 119 CD LYS A 349 7.474 -15.370 8.641 1.00 0.00 C ATOM 120 CE LYS A 349 8.126 -13.986 8.501 1.00 0.00 C ATOM 121 NZ LYS A 349 9.451 -14.067 7.830 1.00 0.00 N ATOM 0 H LYS A 349 6.410 -13.959 12.898 1.00 0.00 H new ATOM 0 HA LYS A 349 6.548 -12.974 10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.823 -15.346 11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 349 5.074 -15.423 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 349 5.607 -16.331 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 349 5.448 -14.647 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 349 8.106 -15.994 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 349 7.439 -15.843 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 349 7.469 -13.330 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.245 -13.538 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 9.860 -13.114 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 10.086 -14.673 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 9.334 -14.471 6.879 1.00 0.00 H new ATOM 135 N ARG A 350 3.523 -13.055 11.608 1.00 0.00 N ATOM 136 CA ARG A 350 2.160 -12.476 11.535 1.00 0.00 C ATOM 137 C ARG A 350 2.176 -10.965 11.289 1.00 0.00 C ATOM 138 O ARG A 350 1.724 -10.513 10.234 1.00 0.00 O ATOM 139 CB ARG A 350 1.297 -12.869 12.758 1.00 0.00 C ATOM 140 CG ARG A 350 1.212 -14.369 13.108 1.00 0.00 C ATOM 141 CD ARG A 350 1.112 -15.352 11.935 1.00 0.00 C ATOM 142 NE ARG A 350 -0.026 -15.062 11.041 1.00 0.00 N ATOM 143 CZ ARG A 350 -0.329 -15.707 9.928 1.00 0.00 C ATOM 144 NH1 ARG A 350 0.326 -16.762 9.532 1.00 0.00 N ATOM 145 NH2 ARG A 350 -1.312 -15.295 9.179 1.00 0.00 N ATOM 0 H ARG A 350 3.663 -13.641 12.431 1.00 0.00 H new ATOM 0 HA ARG A 350 1.681 -12.917 10.661 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.685 -12.340 13.629 1.00 0.00 H new ATOM 0 HB3 ARG A 350 0.284 -12.504 12.588 1.00 0.00 H new ATOM 0 HG2 ARG A 350 2.092 -14.630 13.695 1.00 0.00 H new ATOM 0 HG3 ARG A 350 0.344 -14.519 13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 350 2.037 -15.320 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 350 1.014 -16.366 12.324 1.00 0.00 H new ATOM 0 HE ARG A 350 -0.637 -14.290 11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 350 1.104 -17.118 10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 350 0.061 -17.232 8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -1.850 -14.472 9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 350 -1.543 -15.795 8.321 1.00 0.00 H new ATOM 159 N LYS A 351 2.741 -10.186 12.215 1.00 0.00 N ATOM 160 CA LYS A 351 2.853 -8.717 12.079 1.00 0.00 C ATOM 161 C LYS A 351 3.700 -8.294 10.879 1.00 0.00 C ATOM 162 O LYS A 351 3.283 -7.380 10.167 1.00 0.00 O ATOM 163 CB LYS A 351 3.351 -8.006 13.354 1.00 0.00 C ATOM 164 CG LYS A 351 4.241 -8.873 14.243 1.00 0.00 C ATOM 165 CD LYS A 351 5.180 -8.072 15.154 1.00 0.00 C ATOM 166 CE LYS A 351 5.470 -8.829 16.458 1.00 0.00 C ATOM 167 NZ LYS A 351 6.471 -8.112 17.293 1.00 0.00 N ATOM 0 H LYS A 351 3.136 -10.548 13.083 1.00 0.00 H new ATOM 0 HA LYS A 351 1.827 -8.390 11.908 1.00 0.00 H new ATOM 0 HB2 LYS A 351 3.904 -7.112 13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 351 2.489 -7.675 13.933 1.00 0.00 H new ATOM 0 HG2 LYS A 351 3.609 -9.511 14.861 1.00 0.00 H new ATOM 0 HG3 LYS A 351 4.838 -9.531 13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 351 6.115 -7.872 14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 351 4.731 -7.106 15.384 1.00 0.00 H new ATOM 0 HE2 LYS A 351 4.545 -8.952 17.022 1.00 0.00 H new ATOM 0 HE3 LYS A 351 5.837 -9.829 16.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 6.644 -8.650 18.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 7.361 -8.017 16.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 6.109 -7.167 17.534 1.00 0.00 H new ATOM 181 N LEU A 352 4.862 -8.913 10.641 1.00 0.00 N ATOM 182 CA LEU A 352 5.732 -8.484 9.540 1.00 0.00 C ATOM 183 C LEU A 352 5.048 -8.763 8.189 1.00 0.00 C ATOM 184 O LEU A 352 4.993 -7.874 7.346 1.00 0.00 O ATOM 185 CB LEU A 352 7.076 -9.247 9.579 1.00 0.00 C ATOM 186 CG LEU A 352 8.223 -8.626 10.410 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.580 -9.031 9.830 1.00 0.00 C ATOM 188 CD2 LEU A 352 8.190 -7.108 10.591 1.00 0.00 C ATOM 0 H LEU A 352 5.217 -9.699 11.185 1.00 0.00 H new ATOM 0 HA LEU A 352 5.917 -7.416 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 352 6.884 -10.248 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.427 -9.363 8.554 1.00 0.00 H new ATOM 0 HG LEU A 352 8.068 -9.035 11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 352 10.377 -8.586 10.425 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.675 -10.117 9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.656 -8.679 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 352 9.045 -6.794 11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 352 8.234 -6.624 9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 352 7.268 -6.822 11.097 1.00 0.00 H new ATOM 200 N ILE A 353 4.506 -9.969 7.972 1.00 0.00 N ATOM 201 CA ILE A 353 3.865 -10.369 6.700 1.00 0.00 C ATOM 202 C ILE A 353 2.635 -9.509 6.395 1.00 0.00 C ATOM 203 O ILE A 353 2.482 -8.983 5.285 1.00 0.00 O ATOM 204 CB ILE A 353 3.588 -11.896 6.707 1.00 0.00 C ATOM 205 CG1 ILE A 353 3.817 -12.559 5.337 1.00 0.00 C ATOM 206 CG2 ILE A 353 2.220 -12.328 7.274 1.00 0.00 C ATOM 207 CD1 ILE A 353 4.114 -14.060 5.491 1.00 0.00 C ATOM 0 H ILE A 353 4.497 -10.705 8.678 1.00 0.00 H new ATOM 0 HA ILE A 353 4.548 -10.180 5.872 1.00 0.00 H new ATOM 0 HB ILE A 353 4.336 -12.261 7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 353 2.935 -12.422 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 353 4.648 -12.071 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 353 2.134 -13.414 7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.135 -11.999 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 353 1.423 -11.877 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 353 4.272 -14.503 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 353 5.010 -14.193 6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 353 3.271 -14.550 5.978 1.00 0.00 H new ATOM 219 N GLN A 354 1.782 -9.302 7.403 1.00 0.00 N ATOM 220 CA GLN A 354 0.609 -8.442 7.216 1.00 0.00 C ATOM 221 C GLN A 354 1.003 -6.969 7.008 1.00 0.00 C ATOM 222 O GLN A 354 0.371 -6.284 6.205 1.00 0.00 O ATOM 223 CB GLN A 354 -0.431 -8.659 8.329 1.00 0.00 C ATOM 224 CG GLN A 354 -0.057 -8.121 9.714 1.00 0.00 C ATOM 225 CD GLN A 354 -0.490 -6.680 9.976 1.00 0.00 C ATOM 226 OE1 GLN A 354 -1.652 -6.310 9.864 1.00 0.00 O ATOM 227 NE2 GLN A 354 0.429 -5.809 10.336 1.00 0.00 N ATOM 0 H GLN A 354 1.877 -9.707 8.335 1.00 0.00 H new ATOM 0 HA GLN A 354 0.117 -8.739 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.366 -8.192 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.622 -9.729 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -0.504 -8.764 10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 354 1.024 -8.189 9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 354 1.401 -6.104 10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 354 0.169 -4.839 10.518 1.00 0.00 H new ATOM 236 N GLN A 355 2.082 -6.483 7.642 1.00 0.00 N ATOM 237 CA GLN A 355 2.537 -5.103 7.456 1.00 0.00 C ATOM 238 C GLN A 355 3.171 -4.928 6.075 1.00 0.00 C ATOM 239 O GLN A 355 2.996 -3.886 5.449 1.00 0.00 O ATOM 240 CB GLN A 355 3.484 -4.709 8.590 1.00 0.00 C ATOM 241 CG GLN A 355 3.996 -3.262 8.513 1.00 0.00 C ATOM 242 CD GLN A 355 4.873 -2.886 9.710 1.00 0.00 C ATOM 243 OE1 GLN A 355 4.529 -3.090 10.868 1.00 0.00 O ATOM 244 NE2 GLN A 355 6.041 -2.318 9.487 1.00 0.00 N ATOM 0 H GLN A 355 2.653 -7.028 8.287 1.00 0.00 H new ATOM 0 HA GLN A 355 1.681 -4.429 7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.971 -4.850 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.339 -5.385 8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.566 -3.130 7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 355 3.146 -2.582 8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 355 6.347 -2.139 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 355 6.639 -2.057 10.271 1.00 0.00 H new ATOM 253 N GLN A 356 3.874 -5.949 5.578 1.00 0.00 N ATOM 254 CA GLN A 356 4.538 -5.932 4.278 1.00 0.00 C ATOM 255 C GLN A 356 3.452 -5.761 3.219 1.00 0.00 C ATOM 256 O GLN A 356 3.526 -4.838 2.414 1.00 0.00 O ATOM 257 CB GLN A 356 5.172 -7.301 4.009 1.00 0.00 C ATOM 258 CG GLN A 356 6.606 -7.399 4.533 1.00 0.00 C ATOM 259 CD GLN A 356 7.582 -6.477 3.807 1.00 0.00 C ATOM 260 OE1 GLN A 356 7.881 -6.647 2.634 1.00 0.00 O ATOM 261 NE2 GLN A 356 8.111 -5.468 4.468 1.00 0.00 N ATOM 0 H GLN A 356 3.998 -6.828 6.081 1.00 0.00 H new ATOM 0 HA GLN A 356 5.288 -5.142 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 356 4.565 -8.076 4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 356 5.167 -7.495 2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.613 -7.159 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 356 6.950 -8.429 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 356 7.869 -5.317 5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 356 8.763 -4.838 4.001 1.00 0.00 H new ATOM 270 N LEU A 357 2.438 -6.640 3.245 1.00 0.00 N ATOM 271 CA LEU A 357 1.325 -6.621 2.297 1.00 0.00 C ATOM 272 C LEU A 357 0.579 -5.267 2.367 1.00 0.00 C ATOM 273 O LEU A 357 0.430 -4.580 1.357 1.00 0.00 O ATOM 274 CB LEU A 357 0.418 -7.834 2.622 1.00 0.00 C ATOM 275 CG LEU A 357 -0.333 -8.429 1.418 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.413 -9.407 1.870 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.953 -7.354 0.552 1.00 0.00 C ATOM 0 H LEU A 357 2.372 -7.389 3.934 1.00 0.00 H new ATOM 0 HA LEU A 357 1.674 -6.711 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.031 -8.616 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -0.312 -7.531 3.372 1.00 0.00 H new ATOM 0 HG LEU A 357 0.407 -8.965 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.926 -9.811 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.955 -10.222 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -2.131 -8.888 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.473 -7.817 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.662 -6.774 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.171 -6.695 0.174 1.00 0.00 H new ATOM 289 N VAL A 358 0.157 -4.832 3.561 1.00 0.00 N ATOM 290 CA VAL A 358 -0.542 -3.543 3.752 1.00 0.00 C ATOM 291 C VAL A 358 0.282 -2.341 3.256 1.00 0.00 C ATOM 292 O VAL A 358 -0.274 -1.435 2.633 1.00 0.00 O ATOM 293 CB VAL A 358 -0.932 -3.381 5.239 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.457 -1.982 5.593 1.00 0.00 C ATOM 295 CG2 VAL A 358 -2.026 -4.387 5.641 1.00 0.00 C ATOM 0 H VAL A 358 0.288 -5.359 4.425 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.445 -3.560 3.142 1.00 0.00 H new ATOM 0 HB VAL A 358 -0.005 -3.558 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.710 -1.946 6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.688 -1.240 5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -2.346 -1.766 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -2.279 -4.249 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.913 -4.223 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.661 -5.402 5.486 1.00 0.00 H new ATOM 305 N LEU A 359 1.603 -2.332 3.468 1.00 0.00 N ATOM 306 CA LEU A 359 2.484 -1.242 3.025 1.00 0.00 C ATOM 307 C LEU A 359 2.830 -1.333 1.535 1.00 0.00 C ATOM 308 O LEU A 359 3.103 -0.311 0.918 1.00 0.00 O ATOM 309 CB LEU A 359 3.766 -1.171 3.863 1.00 0.00 C ATOM 310 CG LEU A 359 3.599 -0.683 5.313 1.00 0.00 C ATOM 311 CD1 LEU A 359 4.975 -0.716 5.977 1.00 0.00 C ATOM 312 CD2 LEU A 359 3.076 0.753 5.405 1.00 0.00 C ATOM 0 H LEU A 359 2.094 -3.083 3.953 1.00 0.00 H new ATOM 0 HA LEU A 359 1.920 -0.322 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.218 -2.163 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.471 -0.511 3.357 1.00 0.00 H new ATOM 0 HG LEU A 359 2.873 -1.335 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.889 -0.375 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 359 5.361 -1.735 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.657 -0.062 5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 359 2.980 1.039 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.774 1.427 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 359 2.102 0.817 4.920 1.00 0.00 H new ATOM 324 N LEU A 360 2.775 -2.522 0.937 1.00 0.00 N ATOM 325 CA LEU A 360 2.939 -2.750 -0.502 1.00 0.00 C ATOM 326 C LEU A 360 1.762 -2.127 -1.252 1.00 0.00 C ATOM 327 O LEU A 360 1.929 -1.381 -2.220 1.00 0.00 O ATOM 328 CB LEU A 360 2.962 -4.274 -0.731 1.00 0.00 C ATOM 329 CG LEU A 360 4.312 -4.906 -1.119 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.549 -4.226 -0.527 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.335 -6.364 -0.657 1.00 0.00 C ATOM 0 H LEU A 360 2.609 -3.384 1.457 1.00 0.00 H new ATOM 0 HA LEU A 360 3.861 -2.297 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.612 -4.758 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.241 -4.509 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 360 4.373 -4.793 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.446 -4.748 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.588 -3.188 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.496 -4.257 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.288 -6.817 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.209 -6.405 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.524 -6.911 -1.137 1.00 0.00 H new ATOM 343 N LEU A 361 0.559 -2.409 -0.756 1.00 0.00 N ATOM 344 CA LEU A 361 -0.674 -1.844 -1.284 1.00 0.00 C ATOM 345 C LEU A 361 -0.698 -0.331 -1.053 1.00 0.00 C ATOM 346 O LEU A 361 -1.026 0.415 -1.978 1.00 0.00 O ATOM 347 CB LEU A 361 -1.851 -2.575 -0.636 1.00 0.00 C ATOM 348 CG LEU A 361 -1.868 -4.079 -0.987 1.00 0.00 C ATOM 349 CD1 LEU A 361 -3.060 -4.719 -0.287 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.991 -4.364 -2.486 1.00 0.00 C ATOM 0 H LEU A 361 0.415 -3.042 0.031 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.745 -1.985 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.799 -2.457 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.785 -2.117 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.913 -4.491 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -3.091 -5.783 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.963 -4.588 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.980 -4.245 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.996 -5.441 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.919 -3.934 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -1.146 -3.920 -3.011 1.00 0.00 H new ATOM 362 N HIS A 362 -0.262 0.130 0.131 1.00 0.00 N ATOM 363 CA HIS A 362 -0.104 1.559 0.403 1.00 0.00 C ATOM 364 C HIS A 362 0.904 2.170 -0.577 1.00 0.00 C ATOM 365 O HIS A 362 0.634 3.229 -1.120 1.00 0.00 O ATOM 366 CB HIS A 362 0.328 1.826 1.851 1.00 0.00 C ATOM 367 CG HIS A 362 0.388 3.301 2.188 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.331 4.200 1.761 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.498 4.001 2.977 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.012 5.459 2.284 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 -0.098 5.285 3.019 1.00 0.00 N flip ATOM 0 H HIS A 362 -0.013 -0.473 0.915 1.00 0.00 H new ATOM 0 HA HIS A 362 -1.076 2.032 0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.368 1.332 2.529 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.308 1.380 2.020 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -1.364 3.590 3.475 1.00 0.00 H new ATOM 0 HE1 HIS A 362 1.550 6.383 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.573 6.024 3.538 1.00 0.00 H new ATOM 379 N ALA A 363 2.042 1.525 -0.847 1.00 0.00 N ATOM 380 CA ALA A 363 3.044 2.013 -1.789 1.00 0.00 C ATOM 381 C ALA A 363 2.468 2.174 -3.206 1.00 0.00 C ATOM 382 O ALA A 363 2.719 3.201 -3.830 1.00 0.00 O ATOM 383 CB ALA A 363 4.273 1.097 -1.746 1.00 0.00 C ATOM 0 H ALA A 363 2.293 0.638 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 363 3.358 3.013 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.022 1.460 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.691 1.096 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 363 3.981 0.083 -2.019 1.00 0.00 H new ATOM 389 N HIS A 364 1.663 1.225 -3.706 1.00 0.00 N ATOM 390 CA HIS A 364 0.999 1.339 -5.012 1.00 0.00 C ATOM 391 C HIS A 364 0.057 2.559 -5.050 1.00 0.00 C ATOM 392 O HIS A 364 0.182 3.462 -5.888 1.00 0.00 O ATOM 393 CB HIS A 364 0.228 0.043 -5.298 1.00 0.00 C ATOM 394 CG HIS A 364 -0.299 -0.024 -6.709 1.00 0.00 C ATOM 395 ND1 HIS A 364 -1.614 0.120 -7.098 1.00 0.00 N ATOM 396 CD2 HIS A 364 0.439 -0.220 -7.846 1.00 0.00 C ATOM 397 CE1 HIS A 364 -1.668 0.009 -8.437 1.00 0.00 C ATOM 398 NE2 HIS A 364 -0.438 -0.199 -8.941 1.00 0.00 N ATOM 0 H HIS A 364 1.454 0.356 -3.215 1.00 0.00 H new ATOM 0 HA HIS A 364 1.753 1.488 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.882 -0.810 -5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.605 -0.041 -4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 364 1.508 -0.365 -7.892 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -2.571 0.077 -9.025 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -0.192 -0.318 -9.924 1.00 0.00 H new ATOM 406 N LYS A 365 -0.839 2.608 -4.056 1.00 0.00 N ATOM 407 CA LYS A 365 -1.770 3.711 -3.767 1.00 0.00 C ATOM 408 C LYS A 365 -1.085 5.075 -3.780 1.00 0.00 C ATOM 409 O LYS A 365 -1.466 5.980 -4.519 1.00 0.00 O ATOM 410 CB LYS A 365 -2.407 3.402 -2.391 1.00 0.00 C ATOM 411 CG LYS A 365 -2.822 4.611 -1.533 1.00 0.00 C ATOM 412 CD LYS A 365 -3.521 4.111 -0.257 1.00 0.00 C ATOM 413 CE LYS A 365 -4.272 5.270 0.411 1.00 0.00 C ATOM 414 NZ LYS A 365 -5.029 4.821 1.610 1.00 0.00 N ATOM 0 H LYS A 365 -0.941 1.838 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.531 3.774 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.289 2.783 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.701 2.803 -1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.946 5.205 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.491 5.260 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -4.216 3.308 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.786 3.696 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.562 6.045 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.960 5.718 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.523 5.633 2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.724 4.100 1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.370 4.416 2.305 1.00 0.00 H new ATOM 428 N CYS A 366 -0.082 5.198 -2.926 1.00 0.00 N ATOM 429 CA CYS A 366 0.675 6.392 -2.642 1.00 0.00 C ATOM 430 C CYS A 366 1.589 6.776 -3.820 1.00 0.00 C ATOM 431 O CYS A 366 1.837 7.957 -4.031 1.00 0.00 O ATOM 432 CB CYS A 366 1.318 6.129 -1.278 1.00 0.00 C ATOM 433 SG CYS A 366 2.095 7.567 -0.509 1.00 0.00 S ATOM 0 H CYS A 366 0.243 4.403 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 366 0.082 7.303 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.555 5.743 -0.602 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.069 5.347 -1.392 1.00 0.00 H new ATOM 0 HG CYS A 366 3.024 7.172 0.310 1.00 0.00 H new ATOM 438 N GLN A 367 2.045 5.823 -4.641 1.00 0.00 N ATOM 439 CA GLN A 367 2.785 6.097 -5.882 1.00 0.00 C ATOM 440 C GLN A 367 1.845 6.769 -6.896 1.00 0.00 C ATOM 441 O GLN A 367 2.193 7.815 -7.444 1.00 0.00 O ATOM 442 CB GLN A 367 3.398 4.791 -6.418 1.00 0.00 C ATOM 443 CG GLN A 367 4.169 4.948 -7.738 1.00 0.00 C ATOM 444 CD GLN A 367 4.790 3.625 -8.191 1.00 0.00 C ATOM 445 OE1 GLN A 367 4.142 2.589 -8.271 1.00 0.00 O ATOM 446 NE2 GLN A 367 6.069 3.594 -8.505 1.00 0.00 N ATOM 0 H GLN A 367 1.910 4.828 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 367 3.609 6.785 -5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 367 4.071 4.383 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.601 4.061 -6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 367 3.495 5.318 -8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.953 5.695 -7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 367 6.629 4.444 -8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 367 6.499 2.720 -8.807 1.00 0.00 H new ATOM 455 N ARG A 368 0.629 6.232 -7.104 1.00 0.00 N ATOM 456 CA ARG A 368 -0.384 6.856 -7.984 1.00 0.00 C ATOM 457 C ARG A 368 -0.833 8.219 -7.470 1.00 0.00 C ATOM 458 O ARG A 368 -0.924 9.172 -8.243 1.00 0.00 O ATOM 459 CB ARG A 368 -1.553 5.878 -8.199 1.00 0.00 C ATOM 460 CG ARG A 368 -2.650 6.379 -9.159 1.00 0.00 C ATOM 461 CD ARG A 368 -2.155 6.879 -10.528 1.00 0.00 C ATOM 462 NE ARG A 368 -1.359 5.865 -11.250 1.00 0.00 N ATOM 463 CZ ARG A 368 -0.717 6.035 -12.393 1.00 0.00 C ATOM 464 NH1 ARG A 368 -0.734 7.169 -13.037 1.00 0.00 N ATOM 465 NH2 ARG A 368 -0.040 5.057 -12.921 1.00 0.00 N ATOM 0 H ARG A 368 0.320 5.361 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 368 0.069 7.056 -8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.156 4.939 -8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -2.008 5.660 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.362 5.570 -9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -3.194 7.188 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -3.012 7.164 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -1.552 7.776 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 368 -1.299 4.940 -10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -1.255 7.961 -12.661 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -0.227 7.264 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -0.002 4.152 -12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 368 0.453 5.196 -13.803 1.00 0.00 H new ATOM 479 N ARG A 369 -1.053 8.327 -6.165 1.00 0.00 N ATOM 480 CA ARG A 369 -1.437 9.563 -5.473 1.00 0.00 C ATOM 481 C ARG A 369 -0.392 10.662 -5.656 1.00 0.00 C ATOM 482 O ARG A 369 -0.727 11.804 -5.955 1.00 0.00 O ATOM 483 CB ARG A 369 -1.583 9.181 -3.994 1.00 0.00 C ATOM 484 CG ARG A 369 -1.781 10.267 -2.921 1.00 0.00 C ATOM 485 CD ARG A 369 -1.095 9.754 -1.639 1.00 0.00 C ATOM 486 NE ARG A 369 -1.702 10.251 -0.393 1.00 0.00 N ATOM 487 CZ ARG A 369 -1.438 9.782 0.817 1.00 0.00 C ATOM 488 NH1 ARG A 369 -0.517 8.883 1.034 1.00 0.00 N ATOM 489 NH2 ARG A 369 -2.120 10.199 1.845 1.00 0.00 N ATOM 0 H ARG A 369 -0.967 7.531 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.364 9.968 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.430 8.498 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -0.693 8.616 -3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -1.344 11.212 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.841 10.449 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -1.124 8.664 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 369 -0.045 10.045 -1.660 1.00 0.00 H new ATOM 0 HE ARG A 369 -2.376 11.013 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 369 0.031 8.516 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -0.345 8.548 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -2.861 10.889 1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -1.914 9.835 2.775 1.00 0.00 H new ATOM 503 N GLU A 370 0.878 10.300 -5.491 1.00 0.00 N ATOM 504 CA GLU A 370 2.017 11.204 -5.653 1.00 0.00 C ATOM 505 C GLU A 370 2.132 11.672 -7.109 1.00 0.00 C ATOM 506 O GLU A 370 2.172 12.869 -7.398 1.00 0.00 O ATOM 507 CB GLU A 370 3.280 10.451 -5.224 1.00 0.00 C ATOM 508 CG GLU A 370 4.554 11.299 -5.233 1.00 0.00 C ATOM 509 CD GLU A 370 5.759 10.534 -4.651 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.581 9.620 -3.809 1.00 0.00 O ATOM 511 OE2 GLU A 370 6.922 10.860 -4.983 1.00 0.00 O ATOM 0 H GLU A 370 1.151 9.351 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 370 1.883 12.093 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.129 10.055 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.422 9.597 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 370 4.778 11.606 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.389 12.209 -4.656 1.00 0.00 H new ATOM 518 N GLN A 371 2.130 10.706 -8.032 1.00 0.00 N ATOM 519 CA GLN A 371 2.172 10.916 -9.484 1.00 0.00 C ATOM 520 C GLN A 371 1.005 11.788 -9.991 1.00 0.00 C ATOM 521 O GLN A 371 1.179 12.536 -10.956 1.00 0.00 O ATOM 522 CB GLN A 371 2.215 9.539 -10.176 1.00 0.00 C ATOM 523 CG GLN A 371 2.273 9.563 -11.714 1.00 0.00 C ATOM 524 CD GLN A 371 3.525 10.246 -12.265 1.00 0.00 C ATOM 525 OE1 GLN A 371 4.542 9.620 -12.537 1.00 0.00 O ATOM 526 NE2 GLN A 371 3.507 11.551 -12.447 1.00 0.00 N ATOM 0 H GLN A 371 2.098 9.718 -7.780 1.00 0.00 H new ATOM 0 HA GLN A 371 3.073 11.476 -9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 371 3.085 8.995 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 371 1.334 8.974 -9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 371 2.232 8.540 -12.088 1.00 0.00 H new ATOM 0 HG3 GLN A 371 1.391 10.077 -12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 371 2.667 12.085 -12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 371 4.333 12.027 -12.810 1.00 0.00 H new ATOM 535 N ALA A 372 -0.163 11.734 -9.338 1.00 0.00 N ATOM 536 CA ALA A 372 -1.334 12.555 -9.677 1.00 0.00 C ATOM 537 C ALA A 372 -1.142 14.064 -9.380 1.00 0.00 C ATOM 538 O ALA A 372 -1.929 14.888 -9.854 1.00 0.00 O ATOM 539 CB ALA A 372 -2.569 11.996 -8.957 1.00 0.00 C ATOM 0 H ALA A 372 -0.324 11.110 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 372 -1.474 12.493 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -3.440 12.602 -9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -2.740 10.967 -9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.405 12.021 -7.880 1.00 0.00 H new ATOM 652 N LEU A 381 4.845 8.552 6.301 1.00 0.00 N ATOM 653 CA LEU A 381 5.012 7.252 6.971 1.00 0.00 C ATOM 654 C LEU A 381 6.454 6.731 6.717 1.00 0.00 C ATOM 655 O LEU A 381 6.799 6.491 5.556 1.00 0.00 O ATOM 656 CB LEU A 381 3.900 6.318 6.443 1.00 0.00 C ATOM 657 CG LEU A 381 3.552 5.086 7.303 1.00 0.00 C ATOM 658 CD1 LEU A 381 2.348 4.367 6.690 1.00 0.00 C ATOM 659 CD2 LEU A 381 4.682 4.064 7.419 1.00 0.00 C ATOM 0 HA LEU A 381 4.905 7.316 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 381 2.993 6.909 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 381 4.193 5.968 5.453 1.00 0.00 H new ATOM 0 HG LEU A 381 3.350 5.471 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 381 2.098 3.495 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 381 1.495 5.045 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 381 2.592 4.048 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 381 4.356 3.230 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 381 4.944 3.697 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 381 5.553 4.535 7.874 1.00 0.00 H new ATOM 671 N PRO A 382 7.324 6.571 7.740 1.00 0.00 N ATOM 672 CA PRO A 382 8.730 6.175 7.561 1.00 0.00 C ATOM 673 C PRO A 382 8.987 4.948 6.668 1.00 0.00 C ATOM 674 O PRO A 382 9.920 4.953 5.862 1.00 0.00 O ATOM 675 CB PRO A 382 9.277 5.953 8.976 1.00 0.00 C ATOM 676 CG PRO A 382 8.426 6.886 9.832 1.00 0.00 C ATOM 677 CD PRO A 382 7.060 6.833 9.151 1.00 0.00 C ATOM 0 HA PRO A 382 9.239 6.968 7.014 1.00 0.00 H new ATOM 0 HB2 PRO A 382 9.173 4.914 9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.336 6.202 9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 382 8.374 6.548 10.867 1.00 0.00 H new ATOM 0 HG3 PRO A 382 8.829 7.898 9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 382 6.438 6.049 9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 382 6.523 7.773 9.280 1.00 0.00 H new ATOM 685 N HIS A 383 8.171 3.899 6.800 1.00 0.00 N ATOM 686 CA HIS A 383 8.305 2.650 6.039 1.00 0.00 C ATOM 687 C HIS A 383 7.748 2.714 4.601 1.00 0.00 C ATOM 688 O HIS A 383 8.151 1.914 3.753 1.00 0.00 O ATOM 689 CB HIS A 383 7.605 1.527 6.819 1.00 0.00 C ATOM 690 CG HIS A 383 8.048 1.393 8.256 1.00 0.00 C ATOM 691 ND1 HIS A 383 7.261 1.567 9.373 1.00 0.00 N ATOM 692 CD2 HIS A 383 9.306 1.071 8.696 1.00 0.00 C ATOM 693 CE1 HIS A 383 8.022 1.358 10.461 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.282 1.052 10.099 1.00 0.00 N ATOM 0 H HIS A 383 7.384 3.892 7.449 1.00 0.00 H new ATOM 0 HA HIS A 383 9.373 2.461 5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 383 6.530 1.703 6.798 1.00 0.00 H new ATOM 0 HB3 HIS A 383 7.783 0.581 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 383 10.164 0.868 8.073 1.00 0.00 H new ATOM 0 HE1 HIS A 383 7.672 1.426 11.481 1.00 0.00 H new ATOM 0 HE2 HIS A 383 10.064 0.847 10.721 1.00 0.00 H new ATOM 702 N CYS A 384 6.842 3.657 4.306 1.00 0.00 N ATOM 703 CA CYS A 384 6.215 3.820 2.992 1.00 0.00 C ATOM 704 C CYS A 384 7.251 4.056 1.881 1.00 0.00 C ATOM 705 O CYS A 384 7.194 3.396 0.844 1.00 0.00 O ATOM 706 CB CYS A 384 5.177 4.945 3.100 1.00 0.00 C ATOM 707 SG CYS A 384 4.446 5.378 1.498 1.00 0.00 S ATOM 0 H CYS A 384 6.520 4.341 4.991 1.00 0.00 H new ATOM 0 HA CYS A 384 5.710 2.899 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.386 4.640 3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 384 5.648 5.829 3.531 1.00 0.00 H new ATOM 0 HG CYS A 384 3.283 4.808 1.383 1.00 0.00 H new ATOM 712 N ARG A 385 8.235 4.940 2.096 1.00 0.00 N ATOM 713 CA ARG A 385 9.296 5.220 1.107 1.00 0.00 C ATOM 714 C ARG A 385 10.155 3.992 0.782 1.00 0.00 C ATOM 715 O ARG A 385 10.486 3.753 -0.381 1.00 0.00 O ATOM 716 CB ARG A 385 10.144 6.426 1.560 1.00 0.00 C ATOM 717 CG ARG A 385 10.505 7.331 0.372 1.00 0.00 C ATOM 718 CD ARG A 385 9.292 8.146 -0.110 1.00 0.00 C ATOM 719 NE ARG A 385 9.560 8.792 -1.409 1.00 0.00 N ATOM 720 CZ ARG A 385 8.652 9.341 -2.195 1.00 0.00 C ATOM 721 NH1 ARG A 385 7.426 9.516 -1.800 1.00 0.00 N ATOM 722 NH2 ARG A 385 8.939 9.713 -3.405 1.00 0.00 N ATOM 0 H ARG A 385 8.322 5.482 2.956 1.00 0.00 H new ATOM 0 HA ARG A 385 8.807 5.480 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 385 9.594 7.001 2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.056 6.072 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 385 11.308 8.009 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 385 10.883 6.721 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 385 8.424 7.492 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 385 9.044 8.905 0.632 1.00 0.00 H new ATOM 0 HE ARG A 385 10.529 8.817 -1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 385 7.146 9.227 -0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 385 6.744 9.943 -2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 385 9.883 9.583 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 385 8.220 10.135 -3.993 1.00 0.00 H new ATOM 736 N THR A 386 10.453 3.172 1.788 1.00 0.00 N ATOM 737 CA THR A 386 11.185 1.906 1.637 1.00 0.00 C ATOM 738 C THR A 386 10.350 0.938 0.804 1.00 0.00 C ATOM 739 O THR A 386 10.845 0.377 -0.170 1.00 0.00 O ATOM 740 CB THR A 386 11.518 1.284 3.005 1.00 0.00 C ATOM 741 OG1 THR A 386 12.252 2.216 3.773 1.00 0.00 O ATOM 742 CG2 THR A 386 12.372 0.020 2.888 1.00 0.00 C ATOM 0 H THR A 386 10.189 3.369 2.753 1.00 0.00 H new ATOM 0 HA THR A 386 12.128 2.108 1.130 1.00 0.00 H new ATOM 0 HB THR A 386 10.568 1.022 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.465 1.825 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 386 12.576 -0.375 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 386 11.837 -0.728 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.313 0.261 2.394 1.00 0.00 H new ATOM 750 N MET A 387 9.064 0.777 1.127 1.00 0.00 N ATOM 751 CA MET A 387 8.165 -0.093 0.365 1.00 0.00 C ATOM 752 C MET A 387 7.925 0.403 -1.067 1.00 0.00 C ATOM 753 O MET A 387 7.905 -0.405 -1.990 1.00 0.00 O ATOM 754 CB MET A 387 6.845 -0.262 1.113 1.00 0.00 C ATOM 755 CG MET A 387 6.950 -1.101 2.406 1.00 0.00 C ATOM 756 SD MET A 387 8.431 -2.121 2.719 1.00 0.00 S ATOM 757 CE MET A 387 8.121 -3.526 1.618 1.00 0.00 C ATOM 0 H MET A 387 8.619 1.242 1.918 1.00 0.00 H new ATOM 0 HA MET A 387 8.655 -1.062 0.273 1.00 0.00 H new ATOM 0 HB2 MET A 387 6.454 0.724 1.364 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.121 -0.731 0.447 1.00 0.00 H new ATOM 0 HG2 MET A 387 6.847 -0.415 3.246 1.00 0.00 H new ATOM 0 HG3 MET A 387 6.087 -1.767 2.430 1.00 0.00 H new ATOM 0 HE1 MET A 387 9.014 -4.148 1.561 1.00 0.00 H new ATOM 0 HE2 MET A 387 7.292 -4.117 2.007 1.00 0.00 H new ATOM 0 HE3 MET A 387 7.870 -3.160 0.623 1.00 0.00 H new ATOM 767 N LYS A 388 7.819 1.716 -1.292 1.00 0.00 N ATOM 768 CA LYS A 388 7.764 2.336 -2.629 1.00 0.00 C ATOM 769 C LYS A 388 9.027 1.978 -3.420 1.00 0.00 C ATOM 770 O LYS A 388 8.928 1.626 -4.596 1.00 0.00 O ATOM 771 CB LYS A 388 7.649 3.861 -2.466 1.00 0.00 C ATOM 772 CG LYS A 388 6.221 4.413 -2.294 1.00 0.00 C ATOM 773 CD LYS A 388 6.312 5.827 -1.690 1.00 0.00 C ATOM 774 CE LYS A 388 4.984 6.587 -1.567 1.00 0.00 C ATOM 775 NZ LYS A 388 4.561 7.232 -2.835 1.00 0.00 N ATOM 0 H LYS A 388 7.767 2.398 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 388 6.898 1.964 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.240 4.160 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.099 4.335 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.709 4.444 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.639 3.760 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.758 5.750 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 388 6.993 6.420 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.206 5.896 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.079 7.349 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.686 7.771 -2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.309 7.876 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.392 6.502 -3.556 1.00 0.00 H new ATOM 789 N ASN A 389 10.204 2.004 -2.779 1.00 0.00 N ATOM 790 CA ASN A 389 11.460 1.610 -3.434 1.00 0.00 C ATOM 791 C ASN A 389 11.465 0.104 -3.781 1.00 0.00 C ATOM 792 O ASN A 389 11.849 -0.281 -4.885 1.00 0.00 O ATOM 793 CB ASN A 389 12.656 2.013 -2.555 1.00 0.00 C ATOM 794 CG ASN A 389 13.985 1.799 -3.267 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.178 2.190 -4.410 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.946 1.175 -2.624 1.00 0.00 N ATOM 0 H ASN A 389 10.313 2.294 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 389 11.548 2.141 -4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.561 3.061 -2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.641 1.431 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.846 1.019 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.792 0.846 -1.671 1.00 0.00 H new ATOM 803 N VAL A 390 10.978 -0.743 -2.869 1.00 0.00 N ATOM 804 CA VAL A 390 10.813 -2.200 -3.053 1.00 0.00 C ATOM 805 C VAL A 390 9.830 -2.499 -4.190 1.00 0.00 C ATOM 806 O VAL A 390 10.070 -3.404 -4.984 1.00 0.00 O ATOM 807 CB VAL A 390 10.313 -2.826 -1.735 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.824 -4.275 -1.855 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.395 -2.806 -0.651 1.00 0.00 C ATOM 0 H VAL A 390 10.675 -0.428 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 390 11.776 -2.634 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 390 9.463 -2.198 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.493 -4.629 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.993 -4.322 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.638 -4.905 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.004 -3.256 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.262 -3.372 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.690 -1.776 -0.451 1.00 0.00 H new ATOM 819 N LEU A 391 8.738 -1.735 -4.306 1.00 0.00 N ATOM 820 CA LEU A 391 7.742 -1.894 -5.368 1.00 0.00 C ATOM 821 C LEU A 391 8.369 -1.529 -6.722 1.00 0.00 C ATOM 822 O LEU A 391 8.330 -2.327 -7.656 1.00 0.00 O ATOM 823 CB LEU A 391 6.499 -1.043 -5.033 1.00 0.00 C ATOM 824 CG LEU A 391 5.186 -1.501 -5.698 1.00 0.00 C ATOM 825 CD1 LEU A 391 4.062 -0.568 -5.256 1.00 0.00 C ATOM 826 CD2 LEU A 391 5.203 -1.504 -7.226 1.00 0.00 C ATOM 0 H LEU A 391 8.520 -0.980 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 391 7.415 -2.931 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.359 -1.045 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.695 -0.012 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 391 5.042 -2.534 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.126 -0.881 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.961 -0.608 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 391 4.295 0.452 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 391 4.236 -1.841 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 391 5.402 -0.496 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.983 -2.178 -7.580 1.00 0.00 H new ATOM 838 N ASN A 392 9.033 -0.371 -6.820 1.00 0.00 N ATOM 839 CA ASN A 392 9.752 0.036 -8.031 1.00 0.00 C ATOM 840 C ASN A 392 10.793 -1.030 -8.425 1.00 0.00 C ATOM 841 O ASN A 392 10.901 -1.402 -9.598 1.00 0.00 O ATOM 842 CB ASN A 392 10.393 1.412 -7.777 1.00 0.00 C ATOM 843 CG ASN A 392 11.153 1.922 -8.991 1.00 0.00 C ATOM 844 OD1 ASN A 392 10.586 2.215 -10.033 1.00 0.00 O ATOM 845 ND2 ASN A 392 12.459 2.052 -8.899 1.00 0.00 N ATOM 0 H ASN A 392 9.086 0.309 -6.062 1.00 0.00 H new ATOM 0 HA ASN A 392 9.064 0.122 -8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 392 9.617 2.129 -7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 392 11.072 1.344 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 392 12.995 2.396 -9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 392 12.936 1.808 -8.031 1.00 0.00 H new ATOM 852 N HIS A 393 11.488 -1.603 -7.436 1.00 0.00 N ATOM 853 CA HIS A 393 12.397 -2.710 -7.693 1.00 0.00 C ATOM 854 C HIS A 393 11.614 -3.899 -8.251 1.00 0.00 C ATOM 855 O HIS A 393 12.010 -4.404 -9.291 1.00 0.00 O ATOM 856 CB HIS A 393 13.203 -3.107 -6.455 1.00 0.00 C ATOM 857 CG HIS A 393 14.078 -4.305 -6.746 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.662 -5.609 -6.696 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 15.321 -4.306 -7.340 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 14.644 -6.414 -7.290 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 15.636 -5.580 -7.649 1.00 0.00 N flip ATOM 0 H HIS A 393 11.435 -1.316 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 393 13.125 -2.380 -8.434 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.821 -2.269 -6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.526 -3.337 -5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.936 -3.438 -7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.611 -7.484 -7.430 1.00 0.00 H new ATOM 0 HE2 HIS A 393 16.507 -5.871 -8.094 1.00 0.00 H new ATOM 869 N MET A 394 10.494 -4.317 -7.640 1.00 0.00 N ATOM 870 CA MET A 394 9.689 -5.429 -8.172 1.00 0.00 C ATOM 871 C MET A 394 9.194 -5.165 -9.605 1.00 0.00 C ATOM 872 O MET A 394 8.981 -6.126 -10.345 1.00 0.00 O ATOM 873 CB MET A 394 8.548 -5.891 -7.234 1.00 0.00 C ATOM 874 CG MET A 394 7.175 -5.214 -7.389 1.00 0.00 C ATOM 875 SD MET A 394 5.744 -6.280 -7.040 1.00 0.00 S ATOM 876 CE MET A 394 6.002 -6.621 -5.280 1.00 0.00 C ATOM 0 H MET A 394 10.127 -3.905 -6.782 1.00 0.00 H new ATOM 0 HA MET A 394 10.377 -6.273 -8.221 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.411 -6.963 -7.376 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.879 -5.745 -6.206 1.00 0.00 H new ATOM 0 HG2 MET A 394 7.136 -4.351 -6.724 1.00 0.00 H new ATOM 0 HG3 MET A 394 7.087 -4.836 -8.408 1.00 0.00 H new ATOM 0 HE1 MET A 394 5.224 -7.295 -4.922 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.978 -7.086 -5.139 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.960 -5.688 -4.719 1.00 0.00 H new ATOM 886 N THR A 395 9.036 -3.892 -10.013 1.00 0.00 N ATOM 887 CA THR A 395 8.659 -3.554 -11.406 1.00 0.00 C ATOM 888 C THR A 395 9.848 -3.727 -12.358 1.00 0.00 C ATOM 889 O THR A 395 9.672 -4.205 -13.481 1.00 0.00 O ATOM 890 CB THR A 395 8.051 -2.150 -11.607 1.00 0.00 C ATOM 891 OG1 THR A 395 8.956 -1.081 -11.443 1.00 0.00 O ATOM 892 CG2 THR A 395 6.829 -1.878 -10.737 1.00 0.00 C ATOM 0 H THR A 395 9.162 -3.082 -9.405 1.00 0.00 H new ATOM 0 HA THR A 395 7.866 -4.264 -11.641 1.00 0.00 H new ATOM 0 HB THR A 395 7.751 -2.184 -12.654 1.00 0.00 H new ATOM 0 HG1 THR A 395 9.648 -1.335 -10.797 1.00 0.00 H new ATOM 0 HG21 THR A 395 6.458 -0.872 -10.934 1.00 0.00 H new ATOM 0 HG22 THR A 395 6.049 -2.604 -10.968 1.00 0.00 H new ATOM 0 HG23 THR A 395 7.104 -1.963 -9.686 1.00 0.00 H new ATOM 900 N HIS A 396 11.064 -3.380 -11.912 1.00 0.00 N ATOM 901 CA HIS A 396 12.297 -3.559 -12.691 1.00 0.00 C ATOM 902 C HIS A 396 12.811 -5.023 -12.685 1.00 0.00 C ATOM 903 O HIS A 396 13.496 -5.454 -13.617 1.00 0.00 O ATOM 904 CB HIS A 396 13.362 -2.604 -12.129 1.00 0.00 C ATOM 905 CG HIS A 396 14.602 -2.512 -12.985 1.00 0.00 C ATOM 906 ND1 HIS A 396 14.765 -1.718 -14.099 1.00 0.00 N ATOM 907 CD2 HIS A 396 15.771 -3.203 -12.808 1.00 0.00 C ATOM 908 CE1 HIS A 396 16.002 -1.925 -14.585 1.00 0.00 C ATOM 909 NE2 HIS A 396 16.657 -2.824 -13.828 1.00 0.00 N ATOM 0 H HIS A 396 11.220 -2.964 -10.994 1.00 0.00 H new ATOM 0 HA HIS A 396 12.082 -3.327 -13.734 1.00 0.00 H new ATOM 0 HB2 HIS A 396 12.928 -1.610 -12.025 1.00 0.00 H new ATOM 0 HB3 HIS A 396 13.644 -2.935 -11.130 1.00 0.00 H new ATOM 0 HD2 HIS A 396 15.975 -3.915 -12.022 1.00 0.00 H new ATOM 0 HE1 HIS A 396 16.411 -1.439 -15.458 1.00 0.00 H new ATOM 0 HE2 HIS A 396 17.609 -3.163 -13.968 1.00 0.00 H new ATOM 917 N CYS A 397 12.488 -5.778 -11.629 1.00 0.00 N ATOM 918 CA CYS A 397 12.859 -7.167 -11.366 1.00 0.00 C ATOM 919 C CYS A 397 12.385 -8.140 -12.466 1.00 0.00 C ATOM 920 O CYS A 397 11.405 -7.881 -13.173 1.00 0.00 O ATOM 921 CB CYS A 397 12.268 -7.521 -9.991 1.00 0.00 C ATOM 922 SG CYS A 397 13.007 -9.006 -9.276 1.00 0.00 S ATOM 0 H CYS A 397 11.913 -5.399 -10.876 1.00 0.00 H new ATOM 0 HA CYS A 397 13.944 -7.270 -11.367 1.00 0.00 H new ATOM 0 HB2 CYS A 397 12.415 -6.683 -9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 397 11.192 -7.667 -10.089 1.00 0.00 H new ATOM 0 HG CYS A 397 12.863 -8.983 -7.984 1.00 0.00 H new ATOM 927 N GLN A 398 13.078 -9.278 -12.585 1.00 0.00 N ATOM 928 CA GLN A 398 12.784 -10.323 -13.579 1.00 0.00 C ATOM 929 C GLN A 398 12.550 -11.719 -12.973 1.00 0.00 C ATOM 930 O GLN A 398 11.890 -12.545 -13.607 1.00 0.00 O ATOM 931 CB GLN A 398 13.875 -10.342 -14.667 1.00 0.00 C ATOM 932 CG GLN A 398 13.967 -9.006 -15.430 1.00 0.00 C ATOM 933 CD GLN A 398 14.982 -9.029 -16.575 1.00 0.00 C ATOM 934 OE1 GLN A 398 15.125 -9.996 -17.316 1.00 0.00 O ATOM 935 NE2 GLN A 398 15.731 -7.963 -16.775 1.00 0.00 N ATOM 0 H GLN A 398 13.871 -9.505 -11.985 1.00 0.00 H new ATOM 0 HA GLN A 398 11.831 -10.059 -14.037 1.00 0.00 H new ATOM 0 HB2 GLN A 398 14.839 -10.562 -14.208 1.00 0.00 H new ATOM 0 HB3 GLN A 398 13.667 -11.147 -15.372 1.00 0.00 H new ATOM 0 HG2 GLN A 398 12.984 -8.756 -15.830 1.00 0.00 H new ATOM 0 HG3 GLN A 398 14.237 -8.215 -14.731 1.00 0.00 H new ATOM 0 HE21 GLN A 398 15.629 -7.147 -16.171 1.00 0.00 H new ATOM 0 HE22 GLN A 398 16.413 -7.954 -17.534 1.00 0.00 H new ATOM 944 N ALA A 399 13.016 -11.980 -11.745 1.00 0.00 N ATOM 945 CA ALA A 399 12.744 -13.237 -11.038 1.00 0.00 C ATOM 946 C ALA A 399 11.557 -13.122 -10.076 1.00 0.00 C ATOM 947 O ALA A 399 10.798 -14.076 -9.901 1.00 0.00 O ATOM 948 CB ALA A 399 13.954 -13.643 -10.192 1.00 0.00 C ATOM 0 H ALA A 399 13.592 -11.326 -11.214 1.00 0.00 H new ATOM 0 HA ALA A 399 12.522 -13.974 -11.810 1.00 0.00 H new ATOM 0 HB1 ALA A 399 13.738 -14.577 -9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 399 14.821 -13.779 -10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.165 -12.862 -9.461 1.00 0.00 H new ATOM 954 N PRO A 400 11.443 -11.967 -9.416 1.00 0.00 N ATOM 955 CA PRO A 400 10.475 -11.657 -8.366 1.00 0.00 C ATOM 956 C PRO A 400 10.631 -12.524 -7.105 1.00 0.00 C ATOM 957 O PRO A 400 11.084 -12.052 -6.066 1.00 0.00 O ATOM 961 N LYS A 401 10.275 -13.809 -7.202 1.00 0.00 N ATOM 962 CA LYS A 401 10.360 -14.820 -6.126 1.00 0.00 C ATOM 963 C LYS A 401 11.771 -15.392 -5.946 1.00 0.00 C ATOM 964 O LYS A 401 12.260 -15.513 -4.824 1.00 0.00 O ATOM 965 CB LYS A 401 9.307 -15.919 -6.361 1.00 0.00 C ATOM 966 CG LYS A 401 7.882 -15.336 -6.278 1.00 0.00 C ATOM 967 CD LYS A 401 6.767 -16.382 -6.415 1.00 0.00 C ATOM 968 CE LYS A 401 6.734 -17.011 -7.815 1.00 0.00 C ATOM 969 NZ LYS A 401 5.531 -17.865 -7.999 1.00 0.00 N ATOM 0 H LYS A 401 9.902 -14.197 -8.069 1.00 0.00 H new ATOM 0 HA LYS A 401 10.138 -14.321 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 401 9.462 -16.375 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 401 9.426 -16.708 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 401 7.767 -14.821 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 401 7.761 -14.587 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 401 6.911 -17.164 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 401 5.805 -15.915 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 401 6.742 -16.224 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 401 7.633 -17.608 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 5.539 -18.275 -8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 5.537 -18.630 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 4.674 -17.289 -7.877 1.00 0.00 H new ATOM 983 N ALA A 402 12.435 -15.701 -7.064 1.00 0.00 N ATOM 984 CA ALA A 402 13.813 -16.215 -7.126 1.00 0.00 C ATOM 985 C ALA A 402 14.869 -15.100 -6.939 1.00 0.00 C ATOM 986 O ALA A 402 16.048 -15.393 -6.717 1.00 0.00 O ATOM 987 CB ALA A 402 14.014 -17.108 -8.359 1.00 0.00 C ATOM 0 H ALA A 402 12.014 -15.597 -7.987 1.00 0.00 H new ATOM 0 HA ALA A 402 13.977 -16.869 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 402 15.041 -17.474 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 402 13.328 -17.954 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 402 13.816 -16.531 -9.262 1.00 0.00 H new ATOM 993 N CYS A 403 14.434 -13.828 -6.950 1.00 0.00 N ATOM 994 CA CYS A 403 15.195 -12.617 -6.626 1.00 0.00 C ATOM 995 C CYS A 403 15.247 -12.525 -5.076 1.00 0.00 C ATOM 996 O CYS A 403 14.803 -11.583 -4.423 1.00 0.00 O ATOM 997 CB CYS A 403 14.607 -11.362 -7.282 1.00 0.00 C ATOM 998 SG CYS A 403 15.522 -9.856 -6.803 1.00 0.00 S ATOM 0 H CYS A 403 13.471 -13.608 -7.204 1.00 0.00 H new ATOM 0 HA CYS A 403 16.205 -12.677 -7.032 1.00 0.00 H new ATOM 0 HB2 CYS A 403 14.631 -11.473 -8.366 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.560 -11.258 -6.996 1.00 0.00 H new ATOM 0 HG CYS A 403 14.719 -9.036 -6.193 1.00 0.00 H new ATOM 1003 N GLN A 404 15.722 -13.631 -4.517 1.00 0.00 N ATOM 1004 CA GLN A 404 15.975 -14.075 -3.137 1.00 0.00 C ATOM 1005 C GLN A 404 16.359 -13.020 -2.077 1.00 0.00 C ATOM 1006 O GLN A 404 16.370 -13.345 -0.888 1.00 0.00 O ATOM 1007 CB GLN A 404 16.964 -15.253 -3.198 1.00 0.00 C ATOM 1008 CG GLN A 404 18.344 -14.881 -3.776 1.00 0.00 C ATOM 1009 CD GLN A 404 19.044 -16.093 -4.389 1.00 0.00 C ATOM 1010 OE1 GLN A 404 19.971 -16.665 -3.829 1.00 0.00 O ATOM 1011 NE2 GLN A 404 18.624 -16.537 -5.558 1.00 0.00 N ATOM 0 H GLN A 404 15.992 -14.388 -5.145 1.00 0.00 H new ATOM 0 HA GLN A 404 15.003 -14.372 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.098 -15.654 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 404 16.530 -16.048 -3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 404 18.225 -14.107 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 404 18.968 -14.461 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 404 17.853 -16.069 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 404 19.070 -17.348 -5.986 1.00 0.00 H new ATOM 1020 N VAL A 405 16.646 -11.774 -2.472 1.00 0.00 N ATOM 1021 CA VAL A 405 16.879 -10.634 -1.569 1.00 0.00 C ATOM 1022 C VAL A 405 15.664 -10.529 -0.643 1.00 0.00 C ATOM 1023 O VAL A 405 14.535 -10.458 -1.130 1.00 0.00 O ATOM 1024 CB VAL A 405 17.035 -9.313 -2.353 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.424 -8.169 -1.407 1.00 0.00 C ATOM 1026 CG2 VAL A 405 18.103 -9.402 -3.446 1.00 0.00 C ATOM 0 H VAL A 405 16.725 -11.521 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 405 17.800 -10.797 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 405 16.069 -9.122 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.530 -7.246 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.649 -8.042 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.370 -8.405 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 405 18.172 -8.447 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 405 19.066 -9.640 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.832 -10.183 -4.156 1.00 0.00 H new ATOM 1036 N ALA A 406 15.885 -10.556 0.673 1.00 0.00 N ATOM 1037 CA ALA A 406 14.843 -10.586 1.703 1.00 0.00 C ATOM 1038 C ALA A 406 13.582 -9.763 1.389 1.00 0.00 C ATOM 1039 O ALA A 406 12.482 -10.314 1.288 1.00 0.00 O ATOM 1040 CB ALA A 406 15.476 -10.150 3.029 1.00 0.00 C ATOM 0 H ALA A 406 16.827 -10.558 1.065 1.00 0.00 H new ATOM 0 HA ALA A 406 14.472 -11.610 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 406 14.721 -10.163 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.283 -10.835 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 406 15.876 -9.141 2.927 1.00 0.00 H new ATOM 1046 N HIS A 407 13.752 -8.451 1.215 1.00 0.00 N ATOM 1047 CA HIS A 407 12.649 -7.531 0.947 1.00 0.00 C ATOM 1048 C HIS A 407 11.916 -7.802 -0.376 1.00 0.00 C ATOM 1049 O HIS A 407 10.687 -7.822 -0.366 1.00 0.00 O ATOM 1050 CB HIS A 407 13.127 -6.074 1.062 1.00 0.00 C ATOM 1051 CG HIS A 407 14.299 -5.679 0.191 1.00 0.00 C ATOM 1052 ND1 HIS A 407 15.592 -5.474 0.622 1.00 0.00 N ATOM 1053 CD2 HIS A 407 14.266 -5.349 -1.139 1.00 0.00 C ATOM 1054 CE1 HIS A 407 16.319 -5.033 -0.420 1.00 0.00 C ATOM 1055 NE2 HIS A 407 15.554 -4.949 -1.522 1.00 0.00 N ATOM 0 H HIS A 407 14.664 -7.996 1.257 1.00 0.00 H new ATOM 0 HA HIS A 407 11.898 -7.712 1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.288 -5.420 0.823 1.00 0.00 H new ATOM 0 HB3 HIS A 407 13.394 -5.883 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 407 13.398 -5.390 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS A 407 17.369 -4.782 -0.377 1.00 0.00 H new ATOM 0 HE2 HIS A 407 15.851 -4.653 -2.452 1.00 0.00 H new ATOM 1063 N CYS A 408 12.618 -8.041 -1.492 1.00 0.00 N ATOM 1064 CA CYS A 408 11.972 -8.273 -2.791 1.00 0.00 C ATOM 1065 C CYS A 408 11.287 -9.647 -2.864 1.00 0.00 C ATOM 1066 O CYS A 408 10.098 -9.717 -3.194 1.00 0.00 O ATOM 1067 CB CYS A 408 13.023 -8.110 -3.902 1.00 0.00 C ATOM 1068 SG CYS A 408 12.306 -8.433 -5.548 1.00 0.00 S ATOM 0 H CYS A 408 13.637 -8.079 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 408 11.180 -7.536 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.432 -7.100 -3.873 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.852 -8.795 -3.724 1.00 0.00 H new ATOM 0 HG CYS A 408 12.468 -7.388 -6.305 1.00 0.00 H new ATOM 1073 N ALA A 409 11.993 -10.722 -2.494 1.00 0.00 N ATOM 1074 CA ALA A 409 11.429 -12.069 -2.461 1.00 0.00 C ATOM 1075 C ALA A 409 10.180 -12.105 -1.559 1.00 0.00 C ATOM 1076 O ALA A 409 9.134 -12.615 -1.976 1.00 0.00 O ATOM 1077 CB ALA A 409 12.514 -13.066 -2.036 1.00 0.00 C ATOM 0 H ALA A 409 12.972 -10.678 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 409 11.094 -12.363 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.094 -14.072 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.337 -13.034 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.883 -12.802 -1.045 1.00 0.00 H new ATOM 1083 N SER A 410 10.250 -11.492 -0.365 1.00 0.00 N ATOM 1084 CA SER A 410 9.078 -11.371 0.511 1.00 0.00 C ATOM 1085 C SER A 410 7.967 -10.588 -0.189 1.00 0.00 C ATOM 1086 O SER A 410 6.857 -11.100 -0.300 1.00 0.00 O ATOM 1087 CB SER A 410 9.410 -10.695 1.847 1.00 0.00 C ATOM 1088 OG SER A 410 10.292 -11.495 2.613 1.00 0.00 O ATOM 0 H SER A 410 11.102 -11.076 0.012 1.00 0.00 H new ATOM 0 HA SER A 410 8.742 -12.386 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 410 9.863 -9.721 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.492 -10.519 2.408 1.00 0.00 H new ATOM 0 HG SER A 410 11.217 -11.298 2.358 1.00 0.00 H new ATOM 1094 N SER A 411 8.255 -9.383 -0.703 1.00 0.00 N ATOM 1095 CA SER A 411 7.275 -8.526 -1.391 1.00 0.00 C ATOM 1096 C SER A 411 6.465 -9.270 -2.453 1.00 0.00 C ATOM 1097 O SER A 411 5.235 -9.205 -2.473 1.00 0.00 O ATOM 1098 CB SER A 411 7.955 -7.282 -2.005 1.00 0.00 C ATOM 1099 OG SER A 411 8.507 -7.483 -3.289 1.00 0.00 O ATOM 0 H SER A 411 9.186 -8.970 -0.652 1.00 0.00 H new ATOM 0 HA SER A 411 6.569 -8.203 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.223 -6.476 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.746 -6.948 -1.333 1.00 0.00 H new ATOM 0 HG SER A 411 9.081 -8.277 -3.278 1.00 0.00 H new ATOM 1105 N ARG A 412 7.151 -10.026 -3.315 1.00 0.00 N ATOM 1106 CA ARG A 412 6.532 -10.808 -4.380 1.00 0.00 C ATOM 1107 C ARG A 412 5.741 -11.987 -3.829 1.00 0.00 C ATOM 1108 O ARG A 412 4.659 -12.238 -4.347 1.00 0.00 O ATOM 1109 CB ARG A 412 7.601 -11.223 -5.400 1.00 0.00 C ATOM 1110 CG ARG A 412 7.856 -10.093 -6.418 1.00 0.00 C ATOM 1111 CD ARG A 412 7.010 -10.274 -7.686 1.00 0.00 C ATOM 1112 NE ARG A 412 7.397 -9.324 -8.750 1.00 0.00 N ATOM 1113 CZ ARG A 412 6.926 -9.293 -9.986 1.00 0.00 C ATOM 1114 NH1 ARG A 412 6.030 -10.140 -10.408 1.00 0.00 N ATOM 1115 NH2 ARG A 412 7.349 -8.407 -10.841 1.00 0.00 N ATOM 0 H ARG A 412 8.167 -10.111 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 412 5.800 -10.189 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.528 -11.468 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 412 7.280 -12.124 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.625 -9.131 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.913 -10.074 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 412 7.121 -11.294 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 412 5.957 -10.136 -7.442 1.00 0.00 H new ATOM 0 HE ARG A 412 8.097 -8.623 -8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 412 5.669 -10.857 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 412 5.690 -10.086 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 412 8.053 -7.724 -10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 412 6.976 -8.396 -11.790 1.00 0.00 H new ATOM 1129 N GLN A 413 6.201 -12.665 -2.771 1.00 0.00 N ATOM 1130 CA GLN A 413 5.420 -13.741 -2.137 1.00 0.00 C ATOM 1131 C GLN A 413 4.089 -13.217 -1.552 1.00 0.00 C ATOM 1132 O GLN A 413 3.033 -13.785 -1.843 1.00 0.00 O ATOM 1133 CB GLN A 413 6.250 -14.455 -1.055 1.00 0.00 C ATOM 1134 CG GLN A 413 7.361 -15.356 -1.628 1.00 0.00 C ATOM 1135 CD GLN A 413 6.878 -16.672 -2.241 1.00 0.00 C ATOM 1136 OE1 GLN A 413 5.697 -16.984 -2.326 1.00 0.00 O ATOM 1137 NE2 GLN A 413 7.787 -17.509 -2.697 1.00 0.00 N ATOM 0 H GLN A 413 7.106 -12.491 -2.335 1.00 0.00 H new ATOM 0 HA GLN A 413 5.172 -14.464 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.700 -13.708 -0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.585 -15.059 -0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 413 7.905 -14.796 -2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 413 8.070 -15.583 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 413 8.777 -17.270 -2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 413 7.501 -18.396 -3.111 1.00 0.00 H new ATOM 1146 N ILE A 414 4.097 -12.105 -0.798 1.00 0.00 N ATOM 1147 CA ILE A 414 2.853 -11.495 -0.287 1.00 0.00 C ATOM 1148 C ILE A 414 1.908 -10.956 -1.354 1.00 0.00 C ATOM 1149 O ILE A 414 0.700 -11.188 -1.284 1.00 0.00 O ATOM 1150 CB ILE A 414 3.038 -10.480 0.866 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.326 -9.647 0.985 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.517 -11.077 2.182 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.315 -10.178 2.036 1.00 0.00 C ATOM 0 H ILE A 414 4.947 -11.610 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 414 2.357 -12.361 0.150 1.00 0.00 H new ATOM 0 HB ILE A 414 2.410 -9.646 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.821 -9.621 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.061 -8.620 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.652 -10.355 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.458 -11.314 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.071 -11.987 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.197 -9.539 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.839 -10.178 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.611 -11.194 1.776 1.00 0.00 H new ATOM 1165 N ILE A 415 2.429 -10.262 -2.357 1.00 0.00 N ATOM 1166 CA ILE A 415 1.585 -9.756 -3.446 1.00 0.00 C ATOM 1167 C ILE A 415 1.079 -10.910 -4.331 1.00 0.00 C ATOM 1168 O ILE A 415 -0.049 -10.848 -4.815 1.00 0.00 O ATOM 1169 CB ILE A 415 2.307 -8.595 -4.152 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.905 -7.276 -3.442 1.00 0.00 C ATOM 1171 CG2 ILE A 415 2.058 -8.568 -5.666 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.336 -5.986 -4.152 1.00 0.00 C ATOM 0 H ILE A 415 3.420 -10.035 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 415 0.661 -9.317 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 415 3.385 -8.732 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.821 -7.262 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.333 -7.279 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.593 -7.727 -6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.413 -9.498 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.990 -8.459 -5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.006 -5.124 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.422 -5.967 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.887 -5.950 -5.145 1.00 0.00 H new ATOM 1184 N SER A 416 1.835 -12.003 -4.483 1.00 0.00 N ATOM 1185 CA SER A 416 1.394 -13.209 -5.201 1.00 0.00 C ATOM 1186 C SER A 416 0.235 -13.851 -4.431 1.00 0.00 C ATOM 1187 O SER A 416 -0.768 -14.224 -5.045 1.00 0.00 O ATOM 1188 CB SER A 416 2.522 -14.243 -5.318 1.00 0.00 C ATOM 1189 OG SER A 416 3.264 -14.024 -6.505 1.00 0.00 O ATOM 0 H SER A 416 2.781 -12.078 -4.108 1.00 0.00 H new ATOM 0 HA SER A 416 1.089 -12.910 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.180 -14.175 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.104 -15.250 -5.322 1.00 0.00 H new ATOM 0 HG SER A 416 3.979 -13.377 -6.329 1.00 0.00 H new ATOM 1195 N HIS A 417 0.324 -13.925 -3.093 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.787 -14.385 -2.256 1.00 0.00 C ATOM 1197 C HIS A 417 -2.015 -13.501 -2.523 1.00 0.00 C ATOM 1198 O HIS A 417 -3.085 -14.020 -2.833 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.416 -14.381 -0.756 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.648 -14.435 0.122 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.400 -13.349 0.502 1.00 0.00 N flip ATOM 1202 CD2 HIS A 417 -2.416 -15.552 0.353 1.00 0.00 C flip ATOM 1203 CE1 HIS A 417 -3.665 -13.807 0.879 1.00 0.00 C flip ATOM 1204 NE2 HIS A 417 -3.616 -15.150 0.806 1.00 0.00 N flip ATOM 0 H HIS A 417 1.161 -13.670 -2.569 1.00 0.00 H new ATOM 0 HA HIS A 417 -1.018 -15.418 -2.517 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.226 -15.235 -0.537 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.158 -13.483 -0.525 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -2.089 -12.378 0.508 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.108 -16.575 0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -4.512 -13.204 1.171 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.865 -12.173 -2.445 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.957 -11.224 -2.678 1.00 0.00 C ATOM 1214 C TRP A 418 -3.586 -11.376 -4.072 1.00 0.00 C ATOM 1215 O TRP A 418 -4.812 -11.309 -4.201 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.452 -9.800 -2.423 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.519 -8.762 -2.250 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.314 -8.636 -1.162 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -3.909 -7.685 -3.157 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -5.156 -7.553 -1.324 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -4.941 -6.919 -2.529 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.499 -7.272 -4.444 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.517 -5.793 -3.135 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -4.079 -6.148 -5.067 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -5.081 -5.406 -4.414 1.00 0.00 C ATOM 0 H TRP A 418 -0.977 -11.726 -2.217 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.761 -11.445 -1.976 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.828 -9.808 -1.529 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -1.813 -9.505 -3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.293 -9.284 -0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.851 -7.259 -0.637 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -2.729 -7.826 -4.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.286 -5.231 -2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -3.752 -5.854 -6.053 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -5.514 -4.541 -4.895 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.778 -11.630 -5.113 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.246 -11.875 -6.492 1.00 0.00 C ATOM 1238 C LYS A 419 -4.072 -13.167 -6.605 1.00 0.00 C ATOM 1239 O LYS A 419 -5.100 -13.180 -7.283 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.038 -11.939 -7.446 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.461 -10.551 -7.762 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.089 -10.674 -8.448 1.00 0.00 C ATOM 1243 CE LYS A 419 0.521 -9.313 -8.799 1.00 0.00 C ATOM 1244 NZ LYS A 419 -0.238 -8.600 -9.864 1.00 0.00 N ATOM 0 H LYS A 419 -1.763 -11.672 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 419 -3.898 -11.047 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.260 -12.559 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.339 -12.424 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.148 -10.005 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.362 -9.975 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.593 -11.215 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.194 -11.266 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 419 0.553 -8.692 -7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 419 1.551 -9.455 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 0.236 -7.702 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -0.276 -9.192 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -1.205 -8.408 -9.532 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.630 -14.243 -5.948 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.301 -15.553 -5.945 1.00 0.00 C ATOM 1260 C ASN A 420 -5.503 -15.658 -4.975 1.00 0.00 C ATOM 1261 O ASN A 420 -6.366 -16.519 -5.165 1.00 0.00 O ATOM 1262 CB ASN A 420 -3.254 -16.637 -5.626 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.370 -16.951 -6.823 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.673 -17.808 -7.641 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -1.259 -16.268 -6.977 1.00 0.00 N ATOM 0 H ASN A 420 -2.776 -14.231 -5.390 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.729 -15.694 -6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.632 -16.306 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.761 -17.546 -5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.653 -16.453 -7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -1.002 -15.552 -6.297 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.534 -14.821 -3.932 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.526 -14.752 -2.858 1.00 0.00 C ATOM 1274 C CYS A 421 -8.003 -14.865 -3.307 1.00 0.00 C ATOM 1275 O CYS A 421 -8.420 -14.379 -4.362 1.00 0.00 O ATOM 1276 CB CYS A 421 -6.095 -15.718 -1.729 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.747 -15.181 -0.106 1.00 0.00 S ATOM 0 H CYS A 421 -4.805 -14.118 -3.809 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.529 -13.738 -2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -6.453 -16.723 -1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -5.007 -15.769 -1.687 1.00 0.00 H new ATOM 0 HG CYS A 421 -5.804 -15.255 0.786 1.00 0.00 H new ATOM 1282 N THR A 422 -8.800 -15.423 -2.407 1.00 0.00 N ATOM 1283 CA THR A 422 -10.267 -15.588 -2.416 1.00 0.00 C ATOM 1284 C THR A 422 -10.904 -14.697 -1.331 1.00 0.00 C ATOM 1285 O THR A 422 -12.040 -14.921 -0.915 1.00 0.00 O ATOM 1286 CB THR A 422 -10.639 -17.068 -2.209 1.00 0.00 C ATOM 1287 OG1 THR A 422 -10.114 -17.544 -0.984 1.00 0.00 O ATOM 1288 CG2 THR A 422 -10.064 -17.948 -3.320 1.00 0.00 C ATOM 0 H THR A 422 -8.402 -15.818 -1.555 1.00 0.00 H new ATOM 0 HA THR A 422 -10.656 -15.276 -3.385 1.00 0.00 H new ATOM 0 HB THR A 422 -11.728 -17.122 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.360 -18.485 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.345 -18.986 -3.144 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.459 -17.623 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.977 -17.862 -3.326 1.00 0.00 H new ATOM 1296 N ARG A 423 -10.111 -13.698 -0.899 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.125 -12.627 0.122 1.00 0.00 C ATOM 1298 C ARG A 423 -11.303 -12.410 1.092 1.00 0.00 C ATOM 1299 O ARG A 423 -11.110 -11.743 2.105 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.847 -11.296 -0.614 1.00 0.00 C ATOM 1301 CG ARG A 423 -8.708 -11.313 -1.656 1.00 0.00 C ATOM 1302 CD ARG A 423 -8.381 -9.886 -2.118 1.00 0.00 C ATOM 1303 NE ARG A 423 -7.372 -9.873 -3.196 1.00 0.00 N ATOM 1304 CZ ARG A 423 -7.205 -8.934 -4.111 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -7.936 -7.856 -4.161 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -6.278 -9.069 -5.009 1.00 0.00 N ATOM 0 H ARG A 423 -9.221 -13.610 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 423 -9.374 -12.990 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -10.764 -10.985 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -9.617 -10.535 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -7.820 -11.775 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -9.000 -11.921 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -9.292 -9.400 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -8.015 -9.305 -1.271 1.00 0.00 H new ATOM 0 HE ARG A 423 -6.738 -10.671 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -8.676 -7.709 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -7.768 -7.159 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -5.682 -9.897 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -6.145 -8.347 -5.717 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.498 -12.937 0.855 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.675 -12.788 1.717 1.00 0.00 C ATOM 1322 C HIS A 424 -13.498 -13.343 3.154 1.00 0.00 C ATOM 1323 O HIS A 424 -14.305 -13.031 4.032 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.881 -13.436 1.006 1.00 0.00 C ATOM 1325 CG HIS A 424 -16.224 -12.831 1.354 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -16.644 -12.405 2.593 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -17.257 -12.601 0.485 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -17.892 -11.924 2.481 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -18.314 -12.022 1.206 1.00 0.00 N ATOM 0 H HIS A 424 -12.686 -13.502 0.027 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.839 -11.721 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -14.733 -13.361 -0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -14.902 -14.498 1.252 1.00 0.00 H new ATOM 0 HD1 HIS A 424 -16.098 -12.448 3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -17.259 -12.826 -0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -18.473 -11.517 3.295 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.473 -14.165 3.415 1.00 0.00 N ATOM 1338 CA ASP A 425 -12.217 -14.798 4.717 1.00 0.00 C ATOM 1339 C ASP A 425 -10.735 -15.174 4.963 1.00 0.00 C ATOM 1340 O ASP A 425 -10.446 -16.298 5.384 1.00 0.00 O ATOM 1341 CB ASP A 425 -13.192 -15.977 4.937 1.00 0.00 C ATOM 1342 CG ASP A 425 -12.938 -17.233 4.074 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -12.626 -17.116 2.864 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -13.107 -18.362 4.598 1.00 0.00 O ATOM 0 H ASP A 425 -11.781 -14.415 2.709 1.00 0.00 H new ATOM 0 HA ASP A 425 -12.416 -14.046 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -13.150 -16.267 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -14.206 -15.626 4.744 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.786 -14.248 4.725 1.00 0.00 N ATOM 1350 CA CYS A 426 -8.348 -14.513 4.936 1.00 0.00 C ATOM 1351 C CYS A 426 -7.763 -13.534 6.001 1.00 0.00 C ATOM 1352 O CYS A 426 -8.209 -12.386 6.065 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.705 -14.604 3.540 1.00 0.00 C ATOM 1354 SG CYS A 426 -5.901 -14.445 3.555 1.00 0.00 S ATOM 0 H CYS A 426 -9.989 -13.308 4.386 1.00 0.00 H new ATOM 0 HA CYS A 426 -8.117 -15.469 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -7.973 -15.559 3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -8.124 -13.823 2.905 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.551 -13.407 2.855 1.00 0.00 H new ATOM 1359 N PRO A 427 -6.829 -13.972 6.884 1.00 0.00 N ATOM 1360 CA PRO A 427 -6.301 -13.227 8.048 1.00 0.00 C ATOM 1361 C PRO A 427 -5.756 -11.811 7.835 1.00 0.00 C ATOM 1362 O PRO A 427 -5.600 -11.069 8.805 1.00 0.00 O ATOM 1363 CB PRO A 427 -5.185 -14.096 8.640 1.00 0.00 C ATOM 1364 CG PRO A 427 -5.562 -15.508 8.221 1.00 0.00 C ATOM 1365 CD PRO A 427 -6.211 -15.289 6.859 1.00 0.00 C ATOM 0 HA PRO A 427 -7.165 -13.053 8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -4.207 -13.811 8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -5.137 -14.000 9.725 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -4.689 -16.158 8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -6.250 -15.971 8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -5.468 -15.350 6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -6.955 -16.060 6.659 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.435 -11.448 6.594 1.00 0.00 N ATOM 1374 CA VAL A 428 -4.860 -10.149 6.191 1.00 0.00 C ATOM 1375 C VAL A 428 -5.744 -9.466 5.136 1.00 0.00 C ATOM 1376 O VAL A 428 -5.941 -8.247 5.145 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.433 -10.397 5.677 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.775 -9.080 5.249 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -2.565 -11.043 6.762 1.00 0.00 C ATOM 0 H VAL A 428 -5.572 -12.074 5.800 1.00 0.00 H new ATOM 0 HA VAL A 428 -4.819 -9.470 7.043 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.508 -11.068 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.766 -9.278 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.362 -8.622 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.729 -8.402 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -1.560 -11.208 6.374 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -2.515 -10.384 7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -3.001 -11.997 7.057 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.365 -10.292 4.300 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.361 -9.975 3.291 1.00 0.00 C ATOM 1391 C CYS A 429 -8.598 -9.288 3.895 1.00 0.00 C ATOM 1392 O CYS A 429 -8.955 -8.187 3.479 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.715 -11.325 2.686 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.617 -11.681 1.275 1.00 0.00 S ATOM 0 H CYS A 429 -6.163 -11.292 4.316 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.984 -9.268 2.552 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -7.619 -12.107 3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.754 -11.325 2.358 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.768 -12.920 0.910 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.231 -9.910 4.899 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.387 -9.359 5.607 1.00 0.00 C ATOM 1401 C LEU A 430 -10.067 -7.989 6.252 1.00 0.00 C ATOM 1402 O LEU A 430 -10.780 -7.023 5.955 1.00 0.00 O ATOM 1403 CB LEU A 430 -10.967 -10.403 6.581 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.197 -11.177 6.073 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -12.680 -12.100 7.195 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -13.373 -10.267 5.699 1.00 0.00 C ATOM 0 H LEU A 430 -8.946 -10.826 5.245 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.177 -9.144 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.184 -11.121 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -11.236 -9.898 7.509 1.00 0.00 H new ATOM 0 HG LEU A 430 -11.887 -11.716 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -13.552 -12.659 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -11.884 -12.796 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -12.948 -11.503 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -14.207 -10.875 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -13.683 -9.695 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -13.066 -9.582 4.908 1.00 0.00 H new ATOM 1418 N PRO A 431 -8.996 -7.833 7.061 1.00 0.00 N ATOM 1419 CA PRO A 431 -8.531 -6.526 7.534 1.00 0.00 C ATOM 1420 C PRO A 431 -8.421 -5.475 6.424 1.00 0.00 C ATOM 1421 O PRO A 431 -8.995 -4.398 6.550 1.00 0.00 O ATOM 1422 CB PRO A 431 -7.139 -6.784 8.099 1.00 0.00 C ATOM 1423 CG PRO A 431 -7.252 -8.196 8.646 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.119 -8.876 7.584 1.00 0.00 C ATOM 0 HA PRO A 431 -9.243 -6.126 8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -6.370 -6.709 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -6.880 -6.068 8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -6.278 -8.675 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -7.720 -8.217 9.630 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.504 -9.304 6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -8.697 -9.693 8.015 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.714 -5.779 5.326 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.563 -4.861 4.183 1.00 0.00 C ATOM 1434 C LEU A 432 -8.889 -4.498 3.525 1.00 0.00 C ATOM 1435 O LEU A 432 -9.066 -3.373 3.058 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.633 -5.465 3.125 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.185 -5.046 3.422 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.213 -6.085 2.869 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -4.875 -3.685 2.791 1.00 0.00 C ATOM 0 H LEU A 432 -7.230 -6.668 5.203 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.133 -3.946 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.717 -6.552 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -6.925 -5.126 2.131 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.069 -4.973 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.190 -5.778 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.408 -7.051 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.346 -6.170 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -3.845 -3.407 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.009 -3.746 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.550 -2.933 3.199 1.00 0.00 H new