USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 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 19 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 99 THR OG1 : rot -170:sc=-0.00445 USER MOD Single : A 16 THR OG1 : rot -34:sc= 0.773 USER MOD Single : A 20 GLN : amide:sc= -0.65 K(o=-0.65,f=-3.4!) USER MOD Single : A 24 ASN : amide:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.5) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 32 THR OG1 : rot -68:sc= 0.979 USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00996) USER MOD Single : A 37 ASN : amide:sc= -5.31! C(o=-5.3!,f=-3.6!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 42 LYS NZ :NH3+ -152:sc=-0.00585 (180deg=-0.119) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 53 TYR OH : rot 15:sc= 0.191 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00118) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00503 USER MOD Single : A 60 SER OG : rot 163:sc= -1.2 USER MOD Single : A 66 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.5!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 70 THR OG1 : rot 160:sc= -0.765 USER MOD Single : A 71 ASN : amide:sc=-0.00815 X(o=-0.0082,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 64:sc= 0.108 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 130:sc= -1.29 USER MOD Single : A 100 SER OG : rot 177:sc= -1.26 USER MOD Single : A 101 SER OG : rot 90:sc= -0.11 USER MOD Single : A 103 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.137 -24.756 -0.436 1.00 0.00 N ATOM 199 CA THR A 16 -5.163 -23.937 -1.137 1.00 0.00 C ATOM 200 C THR A 16 -5.594 -22.469 -1.124 1.00 0.00 C ATOM 201 O THR A 16 -6.769 -22.164 -0.928 1.00 0.00 O ATOM 202 CB THR A 16 -4.993 -24.507 -2.547 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.320 -24.828 -2.954 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.266 -25.853 -2.549 1.00 0.00 C ATOM 0 HA THR A 16 -4.193 -23.964 -0.641 1.00 0.00 H new ATOM 0 HB THR A 16 -4.442 -23.796 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.838 -25.125 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.171 -26.214 -3.573 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.274 -25.731 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.834 -26.574 -1.961 1.00 0.00 H new ATOM 212 N PRO A 17 -4.592 -21.574 -1.340 1.00 0.00 N ATOM 213 CA PRO A 17 -4.855 -20.145 -1.355 1.00 0.00 C ATOM 214 C PRO A 17 -5.553 -19.729 -2.651 1.00 0.00 C ATOM 215 O PRO A 17 -5.278 -20.283 -3.714 1.00 0.00 O ATOM 216 CB PRO A 17 -3.494 -19.493 -1.178 1.00 0.00 C ATOM 217 CG PRO A 17 -2.471 -20.558 -1.536 1.00 0.00 C ATOM 218 CD PRO A 17 -3.188 -21.898 -1.576 1.00 0.00 C ATOM 0 HA PRO A 17 -5.537 -19.835 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.392 -18.621 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.357 -19.148 -0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.015 -20.340 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.667 -20.577 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.052 -22.391 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.804 -22.575 -0.813 1.00 0.00 H new ATOM 226 N PRO A 18 -6.468 -18.732 -2.517 1.00 0.00 N ATOM 227 CA PRO A 18 -7.208 -18.235 -3.665 1.00 0.00 C ATOM 228 C PRO A 18 -6.323 -17.353 -4.548 1.00 0.00 C ATOM 229 O PRO A 18 -5.509 -16.581 -4.043 1.00 0.00 O ATOM 230 CB PRO A 18 -8.393 -17.488 -3.076 1.00 0.00 C ATOM 231 CG PRO A 18 -8.025 -17.196 -1.631 1.00 0.00 C ATOM 232 CD PRO A 18 -6.821 -18.052 -1.274 1.00 0.00 C ATOM 0 HA PRO A 18 -7.546 -19.034 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.585 -16.566 -3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.301 -18.088 -3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.793 -16.139 -1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.863 -17.421 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.995 -17.441 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.062 -18.766 -0.487 1.00 0.00 H new ATOM 240 N SER A 19 -6.512 -17.496 -5.851 1.00 0.00 N ATOM 241 CA SER A 19 -5.741 -16.721 -6.809 1.00 0.00 C ATOM 242 C SER A 19 -6.452 -15.400 -7.107 1.00 0.00 C ATOM 243 O SER A 19 -6.451 -14.932 -8.244 1.00 0.00 O ATOM 244 CB SER A 19 -5.520 -17.508 -8.103 1.00 0.00 C ATOM 245 OG SER A 19 -4.138 -17.610 -8.435 1.00 0.00 O ATOM 0 H SER A 19 -7.188 -18.137 -6.266 1.00 0.00 H new ATOM 0 HA SER A 19 -4.765 -16.510 -6.372 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.942 -18.507 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.054 -17.022 -8.919 1.00 0.00 H new ATOM 0 HG SER A 19 -4.038 -18.120 -9.266 1.00 0.00 H new ATOM 251 N GLN A 20 -7.043 -14.835 -6.064 1.00 0.00 N ATOM 252 CA GLN A 20 -7.757 -13.576 -6.199 1.00 0.00 C ATOM 253 C GLN A 20 -6.956 -12.441 -5.559 1.00 0.00 C ATOM 254 O GLN A 20 -6.863 -12.355 -4.335 1.00 0.00 O ATOM 255 CB GLN A 20 -9.157 -13.672 -5.590 1.00 0.00 C ATOM 256 CG GLN A 20 -10.200 -13.995 -6.661 1.00 0.00 C ATOM 257 CD GLN A 20 -11.323 -14.863 -6.089 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.182 -15.509 -5.064 1.00 0.00 O ATOM 259 NE2 GLN A 20 -12.443 -14.842 -6.806 1.00 0.00 N ATOM 0 H GLN A 20 -7.042 -15.226 -5.122 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.873 -13.358 -7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.170 -14.443 -4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.411 -12.731 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.617 -13.070 -7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.723 -14.513 -7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.494 -14.279 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.250 -15.389 -6.507 1.00 0.00 H new ATOM 268 N PRO A 21 -6.384 -11.574 -6.437 1.00 0.00 N ATOM 269 CA PRO A 21 -5.594 -10.448 -5.970 1.00 0.00 C ATOM 270 C PRO A 21 -6.493 -9.342 -5.413 1.00 0.00 C ATOM 271 O PRO A 21 -7.636 -9.192 -5.840 1.00 0.00 O ATOM 272 CB PRO A 21 -4.788 -10.004 -7.180 1.00 0.00 C ATOM 273 CG PRO A 21 -5.494 -10.594 -8.390 1.00 0.00 C ATOM 274 CD PRO A 21 -6.473 -11.645 -7.893 1.00 0.00 C ATOM 0 HA PRO A 21 -4.934 -10.711 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.746 -8.917 -7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.760 -10.359 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.019 -9.815 -8.943 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.771 -11.039 -9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.486 -11.438 -8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.208 -12.637 -8.258 1.00 0.00 H new ATOM 282 N PRO A 22 -5.927 -8.577 -4.441 1.00 0.00 N ATOM 283 CA PRO A 22 -6.664 -7.490 -3.820 1.00 0.00 C ATOM 284 C PRO A 22 -6.761 -6.286 -4.760 1.00 0.00 C ATOM 285 O PRO A 22 -5.750 -5.819 -5.283 1.00 0.00 O ATOM 286 CB PRO A 22 -5.908 -7.183 -2.538 1.00 0.00 C ATOM 287 CG PRO A 22 -4.524 -7.786 -2.716 1.00 0.00 C ATOM 288 CD PRO A 22 -4.575 -8.726 -3.910 1.00 0.00 C ATOM 0 HA PRO A 22 -7.699 -7.754 -3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.847 -6.108 -2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.414 -7.614 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.784 -7.002 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.224 -8.326 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.825 -8.461 -4.655 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.378 -9.756 -3.612 1.00 0.00 H new ATOM 296 N GLY A 23 -7.987 -5.818 -4.946 1.00 0.00 N ATOM 297 CA GLY A 23 -8.229 -4.678 -5.814 1.00 0.00 C ATOM 298 C GLY A 23 -8.314 -3.382 -5.005 1.00 0.00 C ATOM 299 O GLY A 23 -8.002 -3.367 -3.815 1.00 0.00 O ATOM 0 H GLY A 23 -8.823 -6.208 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.428 -4.600 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.156 -4.828 -6.367 1.00 0.00 H new ATOM 303 N ASN A 24 -8.737 -2.325 -5.683 1.00 0.00 N ATOM 304 CA ASN A 24 -8.867 -1.028 -5.043 1.00 0.00 C ATOM 305 C ASN A 24 -7.592 -0.723 -4.254 1.00 0.00 C ATOM 306 O ASN A 24 -7.629 0.004 -3.263 1.00 0.00 O ATOM 307 CB ASN A 24 -10.043 -1.012 -4.064 1.00 0.00 C ATOM 308 CG ASN A 24 -10.789 0.322 -4.126 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.505 0.620 -5.068 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.583 1.107 -3.072 1.00 0.00 N ATOM 0 H ASN A 24 -8.994 -2.341 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.035 -0.284 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.728 -1.827 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.680 -1.183 -3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.037 2.019 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.971 0.797 -2.317 1.00 0.00 H new ATOM 317 N VAL A 25 -6.493 -1.294 -4.725 1.00 0.00 N ATOM 318 CA VAL A 25 -5.208 -1.093 -4.076 1.00 0.00 C ATOM 319 C VAL A 25 -4.760 0.355 -4.280 1.00 0.00 C ATOM 320 O VAL A 25 -4.077 0.666 -5.255 1.00 0.00 O ATOM 321 CB VAL A 25 -4.193 -2.112 -4.598 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.887 -2.041 -3.804 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.774 -3.527 -4.573 1.00 0.00 C ATOM 0 H VAL A 25 -6.466 -1.896 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.292 -1.259 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.969 -1.861 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.183 -2.775 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.459 -1.043 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.087 -2.254 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.032 -4.232 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.041 -3.793 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.663 -3.566 -5.202 1.00 0.00 H new ATOM 333 N VAL A 26 -5.163 1.203 -3.345 1.00 0.00 N ATOM 334 CA VAL A 26 -4.811 2.612 -3.410 1.00 0.00 C ATOM 335 C VAL A 26 -3.740 2.914 -2.360 1.00 0.00 C ATOM 336 O VAL A 26 -3.534 2.131 -1.435 1.00 0.00 O ATOM 337 CB VAL A 26 -6.066 3.472 -3.249 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.124 3.098 -4.290 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.629 3.361 -1.831 1.00 0.00 C ATOM 0 H VAL A 26 -5.730 0.942 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.389 2.856 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.784 4.511 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.006 3.724 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.720 3.253 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.400 2.051 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.521 3.982 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.888 2.323 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.880 3.699 -1.115 1.00 0.00 H new ATOM 349 N TRP A 27 -3.087 4.053 -2.539 1.00 0.00 N ATOM 350 CA TRP A 27 -2.043 4.469 -1.619 1.00 0.00 C ATOM 351 C TRP A 27 -2.258 5.949 -1.296 1.00 0.00 C ATOM 352 O TRP A 27 -3.166 6.580 -1.836 1.00 0.00 O ATOM 353 CB TRP A 27 -0.656 4.179 -2.196 1.00 0.00 C ATOM 354 CG TRP A 27 -0.397 4.836 -3.553 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.654 4.342 -4.772 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.184 6.138 -3.782 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.282 5.225 -5.765 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.243 6.352 -5.144 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.644 7.102 -2.868 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.756 7.523 -5.714 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.154 8.267 -3.454 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.220 8.498 -4.822 1.00 0.00 C ATOM 0 H TRP A 27 -3.261 4.700 -3.308 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.098 3.899 -0.692 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.099 4.521 -1.488 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.534 3.101 -2.297 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.097 3.374 -4.954 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.375 5.078 -6.770 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.607 6.956 -1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.792 7.667 -6.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.522 9.040 -2.796 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.627 9.426 -5.196 1.00 0.00 H new ATOM 373 N ASN A 28 -1.409 6.461 -0.418 1.00 0.00 N ATOM 374 CA ASN A 28 -1.496 7.855 -0.017 1.00 0.00 C ATOM 375 C ASN A 28 -0.254 8.225 0.797 1.00 0.00 C ATOM 376 O ASN A 28 0.509 7.351 1.204 1.00 0.00 O ATOM 377 CB ASN A 28 -2.726 8.101 0.859 1.00 0.00 C ATOM 378 CG ASN A 28 -3.928 8.521 0.010 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.885 7.785 -0.164 1.00 0.00 O ATOM 380 ND2 ASN A 28 -3.825 9.742 -0.506 1.00 0.00 N ATOM 0 H ASN A 28 -0.657 5.935 0.027 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.570 8.462 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.968 7.195 1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.505 8.876 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.576 10.115 -1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.995 10.306 -0.320 1.00 0.00 H new ATOM 387 N ALA A 29 -0.091 9.522 1.010 1.00 0.00 N ATOM 388 CA ALA A 29 1.045 10.019 1.768 1.00 0.00 C ATOM 389 C ALA A 29 0.573 11.114 2.727 1.00 0.00 C ATOM 390 O ALA A 29 0.104 12.164 2.293 1.00 0.00 O ATOM 391 CB ALA A 29 2.125 10.514 0.804 1.00 0.00 C ATOM 0 H ALA A 29 -0.726 10.244 0.671 1.00 0.00 H new ATOM 0 HA ALA A 29 1.484 9.222 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.977 10.887 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.447 9.692 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.722 11.317 0.187 1.00 0.00 H new ATOM 397 N THR A 30 0.714 10.830 4.014 1.00 0.00 N ATOM 398 CA THR A 30 0.308 11.777 5.038 1.00 0.00 C ATOM 399 C THR A 30 1.147 11.587 6.303 1.00 0.00 C ATOM 400 O THR A 30 1.606 10.481 6.588 1.00 0.00 O ATOM 401 CB THR A 30 -1.193 11.605 5.273 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.374 11.959 6.641 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.632 10.141 5.206 1.00 0.00 C ATOM 0 H THR A 30 1.104 9.957 4.370 1.00 0.00 H new ATOM 0 HA THR A 30 0.486 12.804 4.719 1.00 0.00 H new ATOM 0 HB THR A 30 -1.744 12.184 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.321 11.877 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.706 10.075 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.398 9.736 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.105 9.568 5.969 1.00 0.00 H new ATOM 411 N ASP A 31 1.322 12.681 7.029 1.00 0.00 N ATOM 412 CA ASP A 31 2.098 12.649 8.258 1.00 0.00 C ATOM 413 C ASP A 31 3.315 11.742 8.063 1.00 0.00 C ATOM 414 O ASP A 31 3.439 10.714 8.727 1.00 0.00 O ATOM 415 CB ASP A 31 1.271 12.088 9.416 1.00 0.00 C ATOM 416 CG ASP A 31 -0.202 12.504 9.421 1.00 0.00 C ATOM 417 OD1 ASP A 31 -0.466 13.660 9.024 1.00 0.00 O ATOM 418 OD2 ASP A 31 -1.030 11.657 9.820 1.00 0.00 O ATOM 0 H ASP A 31 0.940 13.596 6.790 1.00 0.00 H new ATOM 0 HA ASP A 31 2.402 13.669 8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.325 11.000 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.726 12.405 10.354 1.00 0.00 H new ATOM 423 N THR A 32 4.181 12.156 7.150 1.00 0.00 N ATOM 424 CA THR A 32 5.384 11.394 6.860 1.00 0.00 C ATOM 425 C THR A 32 5.100 9.893 6.955 1.00 0.00 C ATOM 426 O THR A 32 5.794 9.171 7.670 1.00 0.00 O ATOM 427 CB THR A 32 6.484 11.866 7.813 1.00 0.00 C ATOM 428 OG1 THR A 32 7.440 10.809 7.791 1.00 0.00 O ATOM 429 CG2 THR A 32 6.016 11.914 9.269 1.00 0.00 C ATOM 0 H THR A 32 4.074 13.009 6.601 1.00 0.00 H new ATOM 0 HA THR A 32 5.724 11.565 5.839 1.00 0.00 H new ATOM 0 HB THR A 32 6.828 12.855 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.060 10.015 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.834 12.255 9.903 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.176 12.603 9.359 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.704 10.918 9.584 1.00 0.00 H new ATOM 437 N LYS A 33 4.080 9.469 6.225 1.00 0.00 N ATOM 438 CA LYS A 33 3.696 8.068 6.217 1.00 0.00 C ATOM 439 C LYS A 33 3.028 7.733 4.882 1.00 0.00 C ATOM 440 O LYS A 33 2.839 8.611 4.042 1.00 0.00 O ATOM 441 CB LYS A 33 2.830 7.743 7.436 1.00 0.00 C ATOM 442 CG LYS A 33 3.448 6.613 8.262 1.00 0.00 C ATOM 443 CD LYS A 33 2.478 6.130 9.342 1.00 0.00 C ATOM 444 CE LYS A 33 2.519 7.047 10.566 1.00 0.00 C ATOM 445 NZ LYS A 33 3.697 6.738 11.407 1.00 0.00 N ATOM 0 H LYS A 33 3.507 10.071 5.634 1.00 0.00 H new ATOM 0 HA LYS A 33 4.577 7.432 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.720 8.633 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.830 7.455 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.713 5.782 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.371 6.960 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.466 6.100 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.734 5.112 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.556 8.088 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.606 6.925 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.664 7.310 12.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.690 5.729 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.567 6.958 10.881 1.00 0.00 H new ATOM 459 N VAL A 34 2.690 6.461 4.728 1.00 0.00 N ATOM 460 CA VAL A 34 2.048 6.000 3.509 1.00 0.00 C ATOM 461 C VAL A 34 0.844 5.127 3.871 1.00 0.00 C ATOM 462 O VAL A 34 1.003 3.958 4.218 1.00 0.00 O ATOM 463 CB VAL A 34 3.065 5.278 2.623 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.370 4.564 1.461 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.132 6.248 2.111 1.00 0.00 C ATOM 0 H VAL A 34 2.849 5.736 5.427 1.00 0.00 H new ATOM 0 HA VAL A 34 1.675 6.845 2.930 1.00 0.00 H new ATOM 0 HB VAL A 34 3.563 4.523 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.115 4.059 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.666 3.831 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.834 5.294 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.842 5.709 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.657 7.036 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.658 6.690 2.957 1.00 0.00 H new ATOM 475 N LEU A 35 -0.332 5.729 3.778 1.00 0.00 N ATOM 476 CA LEU A 35 -1.562 5.022 4.091 1.00 0.00 C ATOM 477 C LEU A 35 -1.991 4.192 2.879 1.00 0.00 C ATOM 478 O LEU A 35 -2.378 4.745 1.850 1.00 0.00 O ATOM 479 CB LEU A 35 -2.634 5.999 4.578 1.00 0.00 C ATOM 480 CG LEU A 35 -2.259 6.858 5.788 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.447 7.704 6.249 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.697 5.994 6.919 1.00 0.00 C ATOM 0 H LEU A 35 -0.459 6.699 3.490 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.401 4.326 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.894 6.662 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.530 5.430 4.825 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.471 7.548 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.154 8.305 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.762 8.361 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.273 7.050 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.438 6.628 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.446 5.265 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.805 5.473 6.570 1.00 0.00 H new ATOM 494 N LEU A 36 -1.908 2.880 3.041 1.00 0.00 N ATOM 495 CA LEU A 36 -2.283 1.969 1.973 1.00 0.00 C ATOM 496 C LEU A 36 -3.716 1.485 2.201 1.00 0.00 C ATOM 497 O LEU A 36 -4.208 1.499 3.328 1.00 0.00 O ATOM 498 CB LEU A 36 -1.263 0.836 1.853 1.00 0.00 C ATOM 499 CG LEU A 36 0.144 1.243 1.411 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.005 0.013 1.117 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.089 2.202 0.220 1.00 0.00 C ATOM 0 H LEU A 36 -1.587 2.426 3.896 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.269 2.483 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.189 0.337 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.647 0.102 1.144 1.00 0.00 H new ATOM 0 HG LEU A 36 0.618 1.778 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.000 0.331 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.085 -0.598 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.545 -0.571 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.102 2.476 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.413 1.715 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.462 3.100 0.501 1.00 0.00 H new ATOM 513 N ASN A 37 -4.346 1.068 1.112 1.00 0.00 N ATOM 514 CA ASN A 37 -5.713 0.580 1.179 1.00 0.00 C ATOM 515 C ASN A 37 -6.009 -0.269 -0.059 1.00 0.00 C ATOM 516 O ASN A 37 -5.735 0.150 -1.182 1.00 0.00 O ATOM 517 CB ASN A 37 -6.711 1.740 1.207 1.00 0.00 C ATOM 518 CG ASN A 37 -6.202 2.881 2.089 1.00 0.00 C ATOM 519 OD1 ASN A 37 -6.647 3.082 3.207 1.00 0.00 O ATOM 520 ND2 ASN A 37 -5.246 3.615 1.526 1.00 0.00 N ATOM 0 H ASN A 37 -3.935 1.058 0.179 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.817 -0.007 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.877 2.106 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.673 1.388 1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.840 4.401 2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.919 3.392 0.586 1.00 0.00 H new ATOM 527 N TRP A 38 -6.564 -1.446 0.189 1.00 0.00 N ATOM 528 CA TRP A 38 -6.900 -2.357 -0.892 1.00 0.00 C ATOM 529 C TRP A 38 -8.117 -3.177 -0.458 1.00 0.00 C ATOM 530 O TRP A 38 -8.288 -3.462 0.726 1.00 0.00 O ATOM 531 CB TRP A 38 -5.698 -3.226 -1.270 1.00 0.00 C ATOM 532 CG TRP A 38 -5.189 -4.114 -0.133 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.608 -5.340 0.207 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.142 -3.792 0.807 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.911 -5.830 1.292 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.991 -4.859 1.669 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.349 -2.637 0.925 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.054 -4.877 2.709 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.417 -2.671 1.969 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.253 -3.737 2.845 1.00 0.00 C ATOM 0 H TRP A 38 -6.789 -1.790 1.122 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.156 -1.805 -1.796 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.971 -3.857 -2.116 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.886 -2.580 -1.604 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.393 -5.877 -0.304 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.046 -6.738 1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.451 -1.790 0.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.954 -5.725 3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.781 -1.808 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.511 -3.686 3.628 1.00 0.00 H new ATOM 551 N GLU A 39 -8.931 -3.533 -1.441 1.00 0.00 N ATOM 552 CA GLU A 39 -10.127 -4.314 -1.176 1.00 0.00 C ATOM 553 C GLU A 39 -9.752 -5.680 -0.597 1.00 0.00 C ATOM 554 O GLU A 39 -8.572 -6.017 -0.507 1.00 0.00 O ATOM 555 CB GLU A 39 -10.973 -4.469 -2.441 1.00 0.00 C ATOM 556 CG GLU A 39 -12.325 -3.770 -2.286 1.00 0.00 C ATOM 557 CD GLU A 39 -13.426 -4.776 -1.944 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.471 -5.822 -2.628 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.197 -4.478 -1.007 1.00 0.00 O ATOM 0 H GLU A 39 -8.786 -3.295 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.728 -3.781 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.439 -4.050 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.129 -5.527 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.261 -3.015 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.577 -3.249 -3.210 1.00 0.00 H new ATOM 566 N GLN A 40 -10.777 -6.430 -0.220 1.00 0.00 N ATOM 567 CA GLN A 40 -10.569 -7.751 0.347 1.00 0.00 C ATOM 568 C GLN A 40 -10.614 -8.814 -0.753 1.00 0.00 C ATOM 569 O GLN A 40 -11.091 -8.551 -1.856 1.00 0.00 O ATOM 570 CB GLN A 40 -11.600 -8.048 1.438 1.00 0.00 C ATOM 571 CG GLN A 40 -13.016 -7.723 0.958 1.00 0.00 C ATOM 572 CD GLN A 40 -14.064 -8.363 1.870 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.830 -8.626 3.039 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.229 -8.598 1.274 1.00 0.00 N ATOM 0 H GLN A 40 -11.754 -6.148 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.582 -7.775 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.541 -9.098 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.371 -7.463 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.158 -6.642 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.149 -8.082 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.358 -8.353 0.292 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.994 -9.023 1.799 1.00 0.00 H new ATOM 583 N VAL A 41 -10.112 -9.992 -0.414 1.00 0.00 N ATOM 584 CA VAL A 41 -10.089 -11.096 -1.359 1.00 0.00 C ATOM 585 C VAL A 41 -10.891 -12.267 -0.788 1.00 0.00 C ATOM 586 O VAL A 41 -10.496 -12.866 0.211 1.00 0.00 O ATOM 587 CB VAL A 41 -8.643 -11.468 -1.694 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.524 -12.955 -2.034 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.103 -10.600 -2.833 1.00 0.00 C ATOM 0 H VAL A 41 -9.718 -10.206 0.502 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.561 -10.806 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.035 -11.277 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.486 -13.193 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.849 -13.550 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.152 -13.183 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.074 -10.885 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.716 -10.745 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.134 -9.551 -2.538 1.00 0.00 H new ATOM 599 N LYS A 42 -12.002 -12.559 -1.448 1.00 0.00 N ATOM 600 CA LYS A 42 -12.863 -13.648 -1.019 1.00 0.00 C ATOM 601 C LYS A 42 -12.464 -14.928 -1.755 1.00 0.00 C ATOM 602 O LYS A 42 -12.642 -15.032 -2.967 1.00 0.00 O ATOM 603 CB LYS A 42 -14.335 -13.269 -1.197 1.00 0.00 C ATOM 604 CG LYS A 42 -14.722 -12.119 -0.265 1.00 0.00 C ATOM 605 CD LYS A 42 -15.131 -12.644 1.113 1.00 0.00 C ATOM 606 CE LYS A 42 -16.569 -13.165 1.097 1.00 0.00 C ATOM 607 NZ LYS A 42 -16.588 -14.637 1.245 1.00 0.00 N ATOM 0 H LYS A 42 -12.326 -12.060 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.734 -13.839 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.517 -12.980 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.964 -14.135 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.882 -11.432 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.545 -11.553 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.455 -13.443 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.037 -11.848 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.138 -12.705 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.055 -12.881 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.435 -15.022 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.737 -15.041 0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.605 -14.884 2.255 1.00 0.00 H new ATOM 621 N ALA A 43 -11.932 -15.870 -0.990 1.00 0.00 N ATOM 622 CA ALA A 43 -11.506 -17.140 -1.555 1.00 0.00 C ATOM 623 C ALA A 43 -12.539 -17.609 -2.581 1.00 0.00 C ATOM 624 O ALA A 43 -13.718 -17.275 -2.477 1.00 0.00 O ATOM 625 CB ALA A 43 -11.299 -18.155 -0.430 1.00 0.00 C ATOM 0 H ALA A 43 -11.786 -15.780 0.015 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.554 -17.029 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.980 -19.107 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.535 -17.788 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.235 -18.294 0.111 1.00 0.00 H new ATOM 677 N GLU A 47 -11.929 -22.732 -1.726 1.00 0.00 N ATOM 678 CA GLU A 47 -10.657 -22.062 -1.516 1.00 0.00 C ATOM 679 C GLU A 47 -10.532 -21.602 -0.062 1.00 0.00 C ATOM 680 O GLU A 47 -11.530 -21.508 0.650 1.00 0.00 O ATOM 681 CB GLU A 47 -10.492 -20.885 -2.480 1.00 0.00 C ATOM 682 CG GLU A 47 -10.193 -21.376 -3.898 1.00 0.00 C ATOM 683 CD GLU A 47 -8.737 -21.099 -4.278 1.00 0.00 C ATOM 684 OE1 GLU A 47 -7.918 -20.982 -3.341 1.00 0.00 O ATOM 685 OE2 GLU A 47 -8.476 -21.009 -5.497 1.00 0.00 O ATOM 0 HA GLU A 47 -9.856 -22.772 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.401 -20.283 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.684 -20.240 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.393 -22.445 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.858 -20.881 -4.606 1.00 0.00 H new ATOM 692 N SER A 48 -9.298 -21.328 0.334 1.00 0.00 N ATOM 693 CA SER A 48 -9.030 -20.880 1.690 1.00 0.00 C ATOM 694 C SER A 48 -9.213 -19.364 1.787 1.00 0.00 C ATOM 695 O SER A 48 -8.571 -18.611 1.056 1.00 0.00 O ATOM 696 CB SER A 48 -7.618 -21.274 2.131 1.00 0.00 C ATOM 697 OG SER A 48 -7.594 -22.546 2.772 1.00 0.00 O ATOM 0 H SER A 48 -8.473 -21.408 -0.260 1.00 0.00 H new ATOM 0 HA SER A 48 -9.740 -21.368 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.959 -21.293 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.227 -20.518 2.811 1.00 0.00 H new ATOM 0 HG SER A 48 -6.675 -22.762 3.037 1.00 0.00 H new ATOM 703 N GLU A 49 -10.091 -18.963 2.694 1.00 0.00 N ATOM 704 CA GLU A 49 -10.367 -17.551 2.895 1.00 0.00 C ATOM 705 C GLU A 49 -9.079 -16.803 3.246 1.00 0.00 C ATOM 706 O GLU A 49 -8.088 -17.417 3.639 1.00 0.00 O ATOM 707 CB GLU A 49 -11.430 -17.348 3.976 1.00 0.00 C ATOM 708 CG GLU A 49 -10.826 -17.497 5.374 1.00 0.00 C ATOM 709 CD GLU A 49 -11.835 -18.115 6.344 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.987 -17.629 6.351 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.432 -19.059 7.057 1.00 0.00 O ATOM 0 H GLU A 49 -10.621 -19.591 3.298 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.760 -17.142 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.875 -16.359 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.232 -18.074 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.934 -18.122 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.511 -16.521 5.744 1.00 0.00 H new ATOM 718 N VAL A 50 -9.134 -15.488 3.091 1.00 0.00 N ATOM 719 CA VAL A 50 -7.984 -14.651 3.387 1.00 0.00 C ATOM 720 C VAL A 50 -7.994 -14.285 4.872 1.00 0.00 C ATOM 721 O VAL A 50 -8.941 -13.667 5.357 1.00 0.00 O ATOM 722 CB VAL A 50 -7.979 -13.426 2.469 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.930 -12.408 2.920 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.756 -13.835 1.012 1.00 0.00 C ATOM 0 H VAL A 50 -9.957 -14.982 2.764 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.058 -15.191 3.192 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.958 -12.951 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.947 -11.547 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.152 -12.082 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.942 -12.868 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.757 -12.947 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.797 -14.345 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.555 -14.505 0.696 1.00 0.00 H new ATOM 734 N THR A 51 -6.929 -14.681 5.553 1.00 0.00 N ATOM 735 CA THR A 51 -6.803 -14.402 6.974 1.00 0.00 C ATOM 736 C THR A 51 -5.900 -13.188 7.201 1.00 0.00 C ATOM 737 O THR A 51 -5.868 -12.631 8.297 1.00 0.00 O ATOM 738 CB THR A 51 -6.298 -15.672 7.662 1.00 0.00 C ATOM 739 OG1 THR A 51 -5.061 -15.952 7.011 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.167 -16.892 7.351 1.00 0.00 C ATOM 0 H THR A 51 -6.145 -15.193 5.148 1.00 0.00 H new ATOM 0 HA THR A 51 -7.766 -14.138 7.412 1.00 0.00 H new ATOM 0 HB THR A 51 -6.268 -15.513 8.740 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.664 -16.760 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.765 -17.766 7.864 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.186 -16.709 7.691 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.170 -17.072 6.276 1.00 0.00 H new ATOM 748 N GLY A 52 -5.189 -12.815 6.148 1.00 0.00 N ATOM 749 CA GLY A 52 -4.288 -11.677 6.218 1.00 0.00 C ATOM 750 C GLY A 52 -3.770 -11.300 4.829 1.00 0.00 C ATOM 751 O GLY A 52 -4.333 -11.719 3.818 1.00 0.00 O ATOM 0 H GLY A 52 -5.218 -13.281 5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.806 -10.826 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.448 -11.914 6.871 1.00 0.00 H new ATOM 755 N TYR A 53 -2.704 -10.514 4.823 1.00 0.00 N ATOM 756 CA TYR A 53 -2.104 -10.076 3.574 1.00 0.00 C ATOM 757 C TYR A 53 -0.624 -9.738 3.766 1.00 0.00 C ATOM 758 O TYR A 53 -0.179 -9.493 4.886 1.00 0.00 O ATOM 759 CB TYR A 53 -2.856 -8.808 3.166 1.00 0.00 C ATOM 760 CG TYR A 53 -4.277 -9.063 2.660 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.318 -9.185 3.558 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.518 -9.171 1.306 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.655 -9.425 3.082 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.856 -9.411 0.830 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.858 -9.526 1.741 1.00 0.00 C ATOM 766 OH TYR A 53 -8.122 -9.753 1.291 1.00 0.00 O ATOM 0 H TYR A 53 -2.240 -10.169 5.663 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.170 -10.861 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.901 -8.134 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.290 -8.297 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.129 -9.100 4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.704 -9.076 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.478 -9.523 3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.059 -9.498 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.762 -9.578 2.012 1.00 0.00 H new ATOM 776 N LYS A 54 0.098 -9.734 2.655 1.00 0.00 N ATOM 777 CA LYS A 54 1.519 -9.430 2.687 1.00 0.00 C ATOM 778 C LYS A 54 1.786 -8.175 1.853 1.00 0.00 C ATOM 779 O LYS A 54 1.550 -8.165 0.646 1.00 0.00 O ATOM 780 CB LYS A 54 2.337 -10.645 2.247 1.00 0.00 C ATOM 781 CG LYS A 54 2.459 -11.664 3.382 1.00 0.00 C ATOM 782 CD LYS A 54 3.476 -12.753 3.035 1.00 0.00 C ATOM 783 CE LYS A 54 3.484 -13.854 4.096 1.00 0.00 C ATOM 784 NZ LYS A 54 4.759 -13.840 4.849 1.00 0.00 N ATOM 0 H LYS A 54 -0.274 -9.936 1.727 1.00 0.00 H new ATOM 0 HA LYS A 54 1.839 -9.211 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.865 -11.112 1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.330 -10.325 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.762 -11.158 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.487 -12.118 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.237 -13.182 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.470 -12.314 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.648 -13.712 4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.346 -14.825 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.754 -14.605 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.552 -13.980 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.867 -12.925 5.332 1.00 0.00 H new ATOM 798 N VAL A 55 2.273 -7.146 2.531 1.00 0.00 N ATOM 799 CA VAL A 55 2.575 -5.888 1.868 1.00 0.00 C ATOM 800 C VAL A 55 4.036 -5.894 1.414 1.00 0.00 C ATOM 801 O VAL A 55 4.939 -5.650 2.212 1.00 0.00 O ATOM 802 CB VAL A 55 2.240 -4.716 2.793 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.447 -3.379 2.079 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.814 -4.834 3.334 1.00 0.00 C ATOM 0 H VAL A 55 2.466 -7.157 3.533 1.00 0.00 H new ATOM 0 HA VAL A 55 1.959 -5.767 0.977 1.00 0.00 H new ATOM 0 HB VAL A 55 2.923 -4.753 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.202 -2.562 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.487 -3.291 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.799 -3.330 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.602 -3.989 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.109 -4.836 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.714 -5.762 3.897 1.00 0.00 H new ATOM 814 N PHE A 56 4.223 -6.174 0.132 1.00 0.00 N ATOM 815 CA PHE A 56 5.559 -6.214 -0.438 1.00 0.00 C ATOM 816 C PHE A 56 5.970 -4.839 -0.968 1.00 0.00 C ATOM 817 O PHE A 56 5.564 -4.445 -2.060 1.00 0.00 O ATOM 818 CB PHE A 56 5.518 -7.206 -1.602 1.00 0.00 C ATOM 819 CG PHE A 56 5.509 -8.673 -1.170 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.358 -9.242 -0.719 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.650 -9.409 -1.235 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.349 -10.604 -0.318 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.641 -10.771 -0.834 1.00 0.00 C ATOM 824 CZ PHE A 56 5.491 -11.340 -0.384 1.00 0.00 C ATOM 0 H PHE A 56 3.472 -6.375 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 56 6.281 -6.510 0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.630 -7.009 -2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.381 -7.032 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.451 -8.658 -0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.564 -8.957 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.435 -11.056 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.548 -11.355 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.484 -12.376 -0.079 1.00 0.00 H new ATOM 834 N TYR A 57 6.770 -4.148 -0.170 1.00 0.00 N ATOM 835 CA TYR A 57 7.241 -2.825 -0.546 1.00 0.00 C ATOM 836 C TYR A 57 8.735 -2.847 -0.872 1.00 0.00 C ATOM 837 O TYR A 57 9.522 -3.466 -0.156 1.00 0.00 O ATOM 838 CB TYR A 57 7.011 -1.933 0.676 1.00 0.00 C ATOM 839 CG TYR A 57 7.510 -2.537 1.990 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.681 -3.353 2.733 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.789 -2.266 2.432 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.150 -3.921 3.970 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.258 -2.835 3.669 1.00 0.00 C ATOM 844 CZ TYR A 57 8.416 -3.634 4.377 1.00 0.00 C ATOM 845 OH TYR A 57 8.860 -4.171 5.545 1.00 0.00 O ATOM 0 H TYR A 57 7.104 -4.479 0.735 1.00 0.00 H new ATOM 0 HA TYR A 57 6.714 -2.467 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.510 -0.977 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.945 -1.725 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.680 -3.565 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.438 -1.628 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.511 -4.560 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.257 -2.632 4.026 1.00 0.00 H new ATOM 0 HH TYR A 57 9.782 -3.881 5.709 1.00 0.00 H new ATOM 855 N ARG A 58 9.082 -2.165 -1.954 1.00 0.00 N ATOM 856 CA ARG A 58 10.469 -2.099 -2.384 1.00 0.00 C ATOM 857 C ARG A 58 10.702 -0.847 -3.232 1.00 0.00 C ATOM 858 O ARG A 58 9.822 -0.429 -3.983 1.00 0.00 O ATOM 859 CB ARG A 58 10.853 -3.337 -3.197 1.00 0.00 C ATOM 860 CG ARG A 58 9.741 -3.715 -4.178 1.00 0.00 C ATOM 861 CD ARG A 58 10.320 -4.336 -5.451 1.00 0.00 C ATOM 862 NE ARG A 58 10.780 -3.271 -6.370 1.00 0.00 N ATOM 863 CZ ARG A 58 11.272 -3.498 -7.595 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.370 -4.752 -8.057 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.664 -2.470 -8.360 1.00 0.00 N ATOM 0 H ARG A 58 8.427 -1.654 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 58 11.092 -2.058 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.776 -3.145 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.049 -4.172 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.057 -4.419 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.160 -2.829 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.151 -4.994 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.565 -4.950 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 58 10.719 -2.304 -6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.070 -5.535 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.745 -4.924 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.588 -1.515 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.039 -2.642 -9.293 1.00 0.00 H new ATOM 879 N THR A 59 11.892 -0.284 -3.084 1.00 0.00 N ATOM 880 CA THR A 59 12.252 0.912 -3.827 1.00 0.00 C ATOM 881 C THR A 59 12.272 0.621 -5.328 1.00 0.00 C ATOM 882 O THR A 59 12.180 -0.534 -5.742 1.00 0.00 O ATOM 883 CB THR A 59 13.592 1.418 -3.288 1.00 0.00 C ATOM 884 OG1 THR A 59 13.398 1.479 -1.877 1.00 0.00 O ATOM 885 CG2 THR A 59 13.874 2.867 -3.689 1.00 0.00 C ATOM 0 H THR A 59 12.619 -0.634 -2.460 1.00 0.00 H new ATOM 0 HA THR A 59 11.512 1.700 -3.691 1.00 0.00 H new ATOM 0 HB THR A 59 14.395 0.778 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.220 1.796 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.836 3.177 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.898 2.946 -4.776 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.089 3.513 -3.296 1.00 0.00 H new ATOM 893 N SER A 60 12.392 1.688 -6.104 1.00 0.00 N ATOM 894 CA SER A 60 12.425 1.561 -7.551 1.00 0.00 C ATOM 895 C SER A 60 13.453 0.505 -7.961 1.00 0.00 C ATOM 896 O SER A 60 13.354 -0.077 -9.040 1.00 0.00 O ATOM 897 CB SER A 60 12.748 2.902 -8.214 1.00 0.00 C ATOM 898 OG SER A 60 14.130 3.016 -8.543 1.00 0.00 O ATOM 0 H SER A 60 12.468 2.645 -5.758 1.00 0.00 H new ATOM 0 HA SER A 60 11.437 1.247 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.150 3.013 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.467 3.715 -7.544 1.00 0.00 H new ATOM 0 HG SER A 60 14.253 3.739 -9.193 1.00 0.00 H new ATOM 960 N VAL A 65 12.870 -7.054 -1.805 1.00 0.00 N ATOM 961 CA VAL A 65 11.655 -6.477 -1.255 1.00 0.00 C ATOM 962 C VAL A 65 11.385 -7.085 0.122 1.00 0.00 C ATOM 963 O VAL A 65 11.788 -8.214 0.396 1.00 0.00 O ATOM 964 CB VAL A 65 10.494 -6.671 -2.233 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.242 -8.158 -2.496 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.227 -5.982 -1.724 1.00 0.00 C ATOM 0 HA VAL A 65 11.771 -5.402 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 65 10.771 -6.205 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.412 -8.269 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.138 -8.609 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.996 -8.657 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.418 -6.135 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.945 -6.405 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.414 -4.914 -1.611 1.00 0.00 H new ATOM 976 N GLN A 66 10.704 -6.309 0.953 1.00 0.00 N ATOM 977 CA GLN A 66 10.375 -6.757 2.296 1.00 0.00 C ATOM 978 C GLN A 66 8.882 -7.075 2.398 1.00 0.00 C ATOM 979 O GLN A 66 8.082 -6.574 1.610 1.00 0.00 O ATOM 980 CB GLN A 66 10.787 -5.715 3.338 1.00 0.00 C ATOM 981 CG GLN A 66 12.299 -5.736 3.567 1.00 0.00 C ATOM 982 CD GLN A 66 12.627 -5.961 5.044 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.846 -6.511 5.803 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.823 -5.507 5.409 1.00 0.00 N ATOM 0 H GLN A 66 10.371 -5.373 0.722 1.00 0.00 H new ATOM 0 HA GLN A 66 10.936 -7.669 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.480 -4.723 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.271 -5.911 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.750 -6.526 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.734 -4.794 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.428 -5.056 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.135 -5.610 6.375 1.00 0.00 H new ATOM 993 N VAL A 67 8.553 -7.907 3.376 1.00 0.00 N ATOM 994 CA VAL A 67 7.170 -8.298 3.591 1.00 0.00 C ATOM 995 C VAL A 67 6.685 -7.726 4.925 1.00 0.00 C ATOM 996 O VAL A 67 7.471 -7.562 5.857 1.00 0.00 O ATOM 997 CB VAL A 67 7.038 -9.820 3.510 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.701 -10.286 4.090 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.211 -10.309 2.071 1.00 0.00 C ATOM 0 H VAL A 67 9.220 -8.321 4.028 1.00 0.00 H new ATOM 0 HA VAL A 67 6.531 -7.888 2.809 1.00 0.00 H new ATOM 0 HB VAL A 67 7.835 -10.258 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.633 -11.372 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.633 -9.985 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.883 -9.834 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.113 -11.394 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.446 -9.858 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.198 -10.024 1.706 1.00 0.00 H new ATOM 1009 N LEU A 68 5.393 -7.438 4.974 1.00 0.00 N ATOM 1010 CA LEU A 68 4.794 -6.888 6.178 1.00 0.00 C ATOM 1011 C LEU A 68 3.494 -7.636 6.483 1.00 0.00 C ATOM 1012 O LEU A 68 2.640 -7.784 5.611 1.00 0.00 O ATOM 1013 CB LEU A 68 4.616 -5.374 6.045 1.00 0.00 C ATOM 1014 CG LEU A 68 3.417 -4.772 6.782 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.737 -3.366 7.291 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.166 -4.793 5.902 1.00 0.00 C ATOM 0 H LEU A 68 4.744 -7.575 4.199 1.00 0.00 H new ATOM 0 HA LEU A 68 5.454 -7.034 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.522 -4.888 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.526 -5.130 4.986 1.00 0.00 H new ATOM 0 HG LEU A 68 3.206 -5.390 7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.869 -2.961 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.582 -3.411 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.988 -2.722 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.329 -4.360 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.348 -4.212 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.929 -5.822 5.631 1.00 0.00 H new ATOM 1028 N ASN A 69 3.385 -8.087 7.724 1.00 0.00 N ATOM 1029 CA ASN A 69 2.204 -8.815 8.155 1.00 0.00 C ATOM 1030 C ASN A 69 1.120 -7.819 8.573 1.00 0.00 C ATOM 1031 O ASN A 69 1.328 -7.016 9.481 1.00 0.00 O ATOM 1032 CB ASN A 69 2.516 -9.707 9.358 1.00 0.00 C ATOM 1033 CG ASN A 69 3.841 -10.448 9.163 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.897 -10.004 9.582 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.726 -11.598 8.506 1.00 0.00 N ATOM 0 H ASN A 69 4.096 -7.962 8.445 1.00 0.00 H new ATOM 0 HA ASN A 69 1.868 -9.435 7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.564 -9.100 10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.710 -10.427 9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.553 -12.167 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.811 -11.911 8.183 1.00 0.00 H new ATOM 1042 N THR A 70 -0.012 -7.905 7.891 1.00 0.00 N ATOM 1043 CA THR A 70 -1.129 -7.021 8.180 1.00 0.00 C ATOM 1044 C THR A 70 -2.435 -7.816 8.244 1.00 0.00 C ATOM 1045 O THR A 70 -2.836 -8.438 7.261 1.00 0.00 O ATOM 1046 CB THR A 70 -1.142 -5.914 7.124 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.522 -5.597 6.970 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.719 -6.419 5.742 1.00 0.00 C ATOM 0 H THR A 70 -0.180 -8.573 7.139 1.00 0.00 H new ATOM 0 HA THR A 70 -1.021 -6.554 9.159 1.00 0.00 H new ATOM 0 HB THR A 70 -0.478 -5.108 7.435 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.610 -4.709 6.565 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.745 -5.594 5.030 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.293 -6.820 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.403 -7.202 5.416 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.062 -7.769 9.410 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.314 -8.476 9.615 1.00 0.00 C ATOM 1058 C ASN A 71 -5.480 -7.561 9.235 1.00 0.00 C ATOM 1059 O ASN A 71 -6.499 -7.530 9.923 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.487 -8.877 11.081 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.351 -9.797 11.536 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -3.130 -10.867 10.994 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -2.646 -9.320 12.558 1.00 0.00 N ATOM 0 H ASN A 71 -2.726 -7.252 10.223 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.300 -9.372 8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.509 -7.984 11.706 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.444 -9.382 11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.866 -9.858 12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.885 -8.416 12.965 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.291 -6.839 8.140 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.314 -5.925 7.660 1.00 0.00 C ATOM 1072 C LYS A 72 -6.183 -5.771 6.144 1.00 0.00 C ATOM 1073 O LYS A 72 -5.407 -6.483 5.509 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.249 -4.600 8.421 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.813 -4.075 8.486 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.500 -3.503 9.870 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.433 -2.410 9.783 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.852 -1.214 10.549 1.00 0.00 N ATOM 0 H LYS A 72 -4.445 -6.868 7.571 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.307 -6.329 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.887 -3.864 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.636 -4.737 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.117 -4.881 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.669 -3.304 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.409 -3.095 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.156 -4.301 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.487 -2.785 10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.264 -2.141 8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.117 -0.482 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.744 -0.847 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.990 -1.472 11.547 1.00 0.00 H new ATOM 1092 N THR A 73 -6.954 -4.837 5.607 1.00 0.00 N ATOM 1093 CA THR A 73 -6.935 -4.580 4.177 1.00 0.00 C ATOM 1094 C THR A 73 -6.143 -3.306 3.875 1.00 0.00 C ATOM 1095 O THR A 73 -6.163 -2.811 2.750 1.00 0.00 O ATOM 1096 CB THR A 73 -8.383 -4.526 3.686 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.124 -4.128 4.836 1.00 0.00 O ATOM 1098 CG2 THR A 73 -8.937 -5.911 3.347 1.00 0.00 C ATOM 0 H THR A 73 -7.597 -4.248 6.137 1.00 0.00 H new ATOM 0 HA THR A 73 -6.424 -5.378 3.639 1.00 0.00 H new ATOM 0 HB THR A 73 -8.445 -3.885 2.807 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.849 -3.227 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.967 -5.817 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.332 -6.362 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.907 -6.542 4.235 1.00 0.00 H new ATOM 1106 N SER A 74 -5.464 -2.812 4.901 1.00 0.00 N ATOM 1107 CA SER A 74 -4.667 -1.606 4.759 1.00 0.00 C ATOM 1108 C SER A 74 -3.268 -1.832 5.334 1.00 0.00 C ATOM 1109 O SER A 74 -2.954 -2.927 5.800 1.00 0.00 O ATOM 1110 CB SER A 74 -5.339 -0.417 5.450 1.00 0.00 C ATOM 1111 OG SER A 74 -5.594 -0.676 6.828 1.00 0.00 O ATOM 0 H SER A 74 -5.450 -3.225 5.833 1.00 0.00 H new ATOM 0 HA SER A 74 -4.583 -1.375 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.703 0.463 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.277 -0.186 4.945 1.00 0.00 H new ATOM 0 HG SER A 74 -6.022 0.107 7.234 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.464 -0.781 5.282 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.105 -0.851 5.791 1.00 0.00 C ATOM 1119 C ALA A 75 -0.526 0.562 5.884 1.00 0.00 C ATOM 1120 O ALA A 75 -1.127 1.517 5.396 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.269 -1.766 4.893 1.00 0.00 C ATOM 0 H ALA A 75 -2.728 0.125 4.895 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.093 -1.279 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.750 -1.818 5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.705 -2.765 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.256 -1.367 3.879 1.00 0.00 H new ATOM 1127 N GLU A 76 0.636 0.650 6.515 1.00 0.00 N ATOM 1128 CA GLU A 76 1.304 1.930 6.679 1.00 0.00 C ATOM 1129 C GLU A 76 2.818 1.760 6.545 1.00 0.00 C ATOM 1130 O GLU A 76 3.445 1.089 7.363 1.00 0.00 O ATOM 1131 CB GLU A 76 0.940 2.571 8.019 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.533 2.985 8.047 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.074 2.989 9.479 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.438 3.654 10.324 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.112 2.327 9.694 1.00 0.00 O ATOM 0 H GLU A 76 1.132 -0.145 6.919 1.00 0.00 H new ATOM 0 HA GLU A 76 0.963 2.599 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.139 1.869 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.570 3.444 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.644 3.977 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.119 2.299 7.435 1.00 0.00 H new ATOM 1142 N LEU A 77 3.362 2.381 5.509 1.00 0.00 N ATOM 1143 CA LEU A 77 4.792 2.306 5.258 1.00 0.00 C ATOM 1144 C LEU A 77 5.424 3.673 5.526 1.00 0.00 C ATOM 1145 O LEU A 77 4.738 4.609 5.937 1.00 0.00 O ATOM 1146 CB LEU A 77 5.062 1.769 3.851 1.00 0.00 C ATOM 1147 CG LEU A 77 4.445 0.408 3.523 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.961 -0.672 4.475 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.917 0.486 3.518 1.00 0.00 C ATOM 0 H LEU A 77 2.839 2.938 4.834 1.00 0.00 H new ATOM 0 HA LEU A 77 5.262 1.597 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.692 2.497 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.141 1.700 3.711 1.00 0.00 H new ATOM 0 HG LEU A 77 4.756 0.125 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.507 -1.629 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.045 -0.749 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.700 -0.408 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.503 -0.495 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.566 0.801 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.592 1.207 2.768 1.00 0.00 H new ATOM 1161 N VAL A 78 6.725 3.746 5.284 1.00 0.00 N ATOM 1162 CA VAL A 78 7.457 4.983 5.494 1.00 0.00 C ATOM 1163 C VAL A 78 7.569 5.736 4.167 1.00 0.00 C ATOM 1164 O VAL A 78 7.500 5.131 3.098 1.00 0.00 O ATOM 1165 CB VAL A 78 8.816 4.685 6.130 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.657 4.252 7.588 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.578 3.630 5.325 1.00 0.00 C ATOM 0 H VAL A 78 7.291 2.968 4.944 1.00 0.00 H new ATOM 0 HA VAL A 78 6.923 5.630 6.190 1.00 0.00 H new ATOM 0 HB VAL A 78 9.401 5.605 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.638 4.046 8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.174 5.049 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.045 3.351 7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.541 3.436 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.998 2.708 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.739 3.993 4.310 1.00 0.00 H new ATOM 1177 N LEU A 79 7.741 7.045 4.279 1.00 0.00 N ATOM 1178 CA LEU A 79 7.864 7.887 3.101 1.00 0.00 C ATOM 1179 C LEU A 79 9.116 7.484 2.319 1.00 0.00 C ATOM 1180 O LEU A 79 10.128 7.112 2.911 1.00 0.00 O ATOM 1181 CB LEU A 79 7.834 9.366 3.493 1.00 0.00 C ATOM 1182 CG LEU A 79 8.645 9.747 4.733 1.00 0.00 C ATOM 1183 CD1 LEU A 79 9.986 9.011 4.759 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.822 11.264 4.827 1.00 0.00 C ATOM 0 H LEU A 79 7.798 7.543 5.167 1.00 0.00 H new ATOM 0 HA LEU A 79 7.012 7.739 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.199 9.952 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.797 9.657 3.658 1.00 0.00 H new ATOM 0 HG LEU A 79 8.088 9.432 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.542 9.300 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.810 7.935 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.562 9.273 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.402 11.508 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.346 11.625 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.844 11.741 4.889 1.00 0.00 H new ATOM 1196 N PRO A 80 9.003 7.573 0.967 1.00 0.00 N ATOM 1197 CA PRO A 80 10.114 7.222 0.098 1.00 0.00 C ATOM 1198 C PRO A 80 11.189 8.310 0.115 1.00 0.00 C ATOM 1199 O PRO A 80 10.891 9.485 -0.098 1.00 0.00 O ATOM 1200 CB PRO A 80 9.492 7.022 -1.274 1.00 0.00 C ATOM 1201 CG PRO A 80 8.141 7.719 -1.225 1.00 0.00 C ATOM 1202 CD PRO A 80 7.820 8.009 0.232 1.00 0.00 C ATOM 0 HA PRO A 80 10.632 6.319 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.123 7.447 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.377 5.962 -1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.167 8.644 -1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.370 7.089 -1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.624 9.069 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.931 7.468 0.557 1.00 0.00 H new ATOM 1210 N ILE A 81 12.416 7.882 0.371 1.00 0.00 N ATOM 1211 CA ILE A 81 13.537 8.805 0.419 1.00 0.00 C ATOM 1212 C ILE A 81 14.010 9.100 -1.006 1.00 0.00 C ATOM 1213 O ILE A 81 14.072 10.258 -1.416 1.00 0.00 O ATOM 1214 CB ILE A 81 14.638 8.264 1.333 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.083 7.923 2.718 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.814 9.240 1.412 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.427 9.147 3.362 1.00 0.00 C ATOM 0 H ILE A 81 12.659 6.907 0.548 1.00 0.00 H new ATOM 0 HA ILE A 81 13.230 9.755 0.857 1.00 0.00 H new ATOM 0 HB ILE A 81 15.016 7.338 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 81 13.354 7.117 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 81 14.888 7.559 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.583 8.831 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.230 9.390 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.469 10.195 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.041 8.878 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.165 9.942 3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 81 12.607 9.494 2.733 1.00 0.00 H new ATOM 1229 N LYS A 82 14.332 8.032 -1.721 1.00 0.00 N ATOM 1230 CA LYS A 82 14.797 8.161 -3.091 1.00 0.00 C ATOM 1231 C LYS A 82 14.279 6.981 -3.915 1.00 0.00 C ATOM 1232 O LYS A 82 13.989 5.918 -3.369 1.00 0.00 O ATOM 1233 CB LYS A 82 16.319 8.315 -3.128 1.00 0.00 C ATOM 1234 CG LYS A 82 16.740 9.356 -4.167 1.00 0.00 C ATOM 1235 CD LYS A 82 16.970 10.721 -3.514 1.00 0.00 C ATOM 1236 CE LYS A 82 18.465 11.024 -3.387 1.00 0.00 C ATOM 1237 NZ LYS A 82 18.704 12.483 -3.437 1.00 0.00 N ATOM 0 H LYS A 82 14.280 7.073 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 82 14.396 9.067 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.682 8.611 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.780 7.355 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.653 9.029 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.971 9.441 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.487 11.498 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.507 10.739 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.846 10.619 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.011 10.532 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.723 12.671 -3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.359 12.861 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.198 12.945 -2.654 1.00 0.00 H new ATOM 1251 N GLU A 83 14.178 7.208 -5.217 1.00 0.00 N ATOM 1252 CA GLU A 83 13.700 6.177 -6.122 1.00 0.00 C ATOM 1253 C GLU A 83 12.246 5.824 -5.803 1.00 0.00 C ATOM 1254 O GLU A 83 11.873 5.707 -4.636 1.00 0.00 O ATOM 1255 CB GLU A 83 14.592 4.936 -6.059 1.00 0.00 C ATOM 1256 CG GLU A 83 15.803 5.083 -6.983 1.00 0.00 C ATOM 1257 CD GLU A 83 17.107 4.834 -6.222 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.462 3.644 -6.078 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.719 5.839 -5.801 1.00 0.00 O ATOM 0 H GLU A 83 14.419 8.091 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 83 13.745 6.565 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.929 4.778 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.017 4.055 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.721 4.379 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.816 6.083 -7.416 1.00 0.00 H new ATOM 1266 N ASP A 84 11.464 5.664 -6.860 1.00 0.00 N ATOM 1267 CA ASP A 84 10.059 5.326 -6.708 1.00 0.00 C ATOM 1268 C ASP A 84 9.923 4.157 -5.730 1.00 0.00 C ATOM 1269 O ASP A 84 10.918 3.547 -5.345 1.00 0.00 O ATOM 1270 CB ASP A 84 9.446 4.900 -8.043 1.00 0.00 C ATOM 1271 CG ASP A 84 8.871 6.040 -8.885 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.670 6.332 -8.699 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.645 6.594 -9.695 1.00 0.00 O ATOM 0 H ASP A 84 11.777 5.762 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 84 9.538 6.210 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.209 4.386 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.653 4.178 -7.847 1.00 0.00 H new ATOM 1278 N TYR A 85 8.682 3.881 -5.357 1.00 0.00 N ATOM 1279 CA TYR A 85 8.403 2.796 -4.432 1.00 0.00 C ATOM 1280 C TYR A 85 7.396 1.811 -5.030 1.00 0.00 C ATOM 1281 O TYR A 85 6.280 2.193 -5.378 1.00 0.00 O ATOM 1282 CB TYR A 85 7.786 3.447 -3.192 1.00 0.00 C ATOM 1283 CG TYR A 85 8.076 2.700 -1.888 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.346 2.226 -1.632 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.066 2.501 -0.968 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.619 1.524 -0.405 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.338 1.798 0.259 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.601 1.344 0.480 1.00 0.00 C ATOM 1289 OH TYR A 85 8.859 0.681 1.639 1.00 0.00 O ATOM 0 H TYR A 85 7.859 4.390 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 85 9.314 2.242 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.160 4.467 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.707 3.514 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.136 2.382 -2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.072 2.873 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.609 1.149 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.557 1.635 0.987 1.00 0.00 H new ATOM 0 HH TYR A 85 8.040 0.627 2.175 1.00 0.00 H new ATOM 1299 N ILE A 86 7.827 0.562 -5.130 1.00 0.00 N ATOM 1300 CA ILE A 86 6.978 -0.481 -5.680 1.00 0.00 C ATOM 1301 C ILE A 86 6.358 -1.284 -4.534 1.00 0.00 C ATOM 1302 O ILE A 86 7.058 -2.010 -3.830 1.00 0.00 O ATOM 1303 CB ILE A 86 7.758 -1.337 -6.679 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.038 -0.559 -7.966 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.036 -2.658 -6.952 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.685 0.793 -7.661 1.00 0.00 C ATOM 0 H ILE A 86 8.753 0.249 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 86 6.155 -0.044 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 86 8.723 -1.584 -6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.694 -1.142 -8.612 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.107 -0.406 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.612 -3.247 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.933 -3.215 -6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.048 -2.454 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.873 1.325 -8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.016 1.384 -7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.628 0.635 -7.137 1.00 0.00 H new ATOM 1318 N ILE A 87 5.051 -1.127 -4.383 1.00 0.00 N ATOM 1319 CA ILE A 87 4.329 -1.828 -3.336 1.00 0.00 C ATOM 1320 C ILE A 87 3.499 -2.953 -3.959 1.00 0.00 C ATOM 1321 O ILE A 87 2.946 -2.792 -5.046 1.00 0.00 O ATOM 1322 CB ILE A 87 3.504 -0.845 -2.503 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.258 0.471 -2.302 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.081 -1.473 -1.173 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.829 1.156 -1.003 1.00 0.00 C ATOM 0 H ILE A 87 4.473 -0.524 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 87 5.026 -2.294 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 87 2.592 -0.613 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.331 0.280 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.070 1.134 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.496 -0.753 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.478 -2.360 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.968 -1.754 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.380 2.089 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.760 1.368 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.041 0.500 -0.159 1.00 0.00 H new ATOM 1337 N GLU A 88 3.439 -4.067 -3.244 1.00 0.00 N ATOM 1338 CA GLU A 88 2.687 -5.218 -3.713 1.00 0.00 C ATOM 1339 C GLU A 88 1.858 -5.811 -2.572 1.00 0.00 C ATOM 1340 O GLU A 88 2.403 -6.196 -1.539 1.00 0.00 O ATOM 1341 CB GLU A 88 3.617 -6.270 -4.320 1.00 0.00 C ATOM 1342 CG GLU A 88 3.617 -6.187 -5.848 1.00 0.00 C ATOM 1343 CD GLU A 88 3.482 -7.576 -6.473 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.057 -8.520 -5.889 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.807 -7.664 -7.521 1.00 0.00 O ATOM 0 H GLU A 88 3.899 -4.197 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 88 2.006 -4.888 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.630 -6.125 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.300 -7.265 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.795 -5.553 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.540 -5.719 -6.190 1.00 0.00 H new ATOM 1352 N VAL A 89 0.553 -5.866 -2.798 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.356 -6.406 -1.802 1.00 0.00 C ATOM 1354 C VAL A 89 -0.578 -7.895 -2.074 1.00 0.00 C ATOM 1355 O VAL A 89 -0.880 -8.286 -3.201 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.657 -5.600 -1.790 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.620 -6.129 -0.725 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.377 -4.110 -1.585 1.00 0.00 C ATOM 0 H VAL A 89 0.104 -5.545 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 89 0.075 -6.319 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.135 -5.720 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.536 -5.539 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.857 -7.172 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.153 -6.054 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.318 -3.560 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.866 -3.963 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.747 -3.743 -2.395 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.420 -8.686 -1.023 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.599 -10.123 -1.134 1.00 0.00 C ATOM 1370 C LYS A 90 -1.596 -10.593 -0.073 1.00 0.00 C ATOM 1371 O LYS A 90 -1.740 -9.959 0.972 1.00 0.00 O ATOM 1372 CB LYS A 90 0.752 -10.839 -1.067 1.00 0.00 C ATOM 1373 CG LYS A 90 1.247 -11.207 -2.467 1.00 0.00 C ATOM 1374 CD LYS A 90 1.832 -12.621 -2.488 1.00 0.00 C ATOM 1375 CE LYS A 90 3.321 -12.593 -2.839 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.942 -13.909 -2.570 1.00 0.00 N ATOM 0 H LYS A 90 -0.170 -8.358 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.022 -10.379 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.484 -10.198 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.660 -11.740 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.423 -11.140 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.004 -10.492 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.693 -13.090 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.295 -13.230 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.448 -12.332 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.824 -11.821 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.952 -13.872 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.837 -14.143 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.473 -14.638 -3.145 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.259 -11.698 -0.377 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.239 -12.259 0.538 1.00 0.00 C ATOM 1392 C ALA A 91 -2.703 -13.575 1.107 1.00 0.00 C ATOM 1393 O ALA A 91 -2.247 -14.439 0.360 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.573 -12.439 -0.190 1.00 0.00 C ATOM 0 H ALA A 91 -2.137 -12.221 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.413 -11.584 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.308 -12.860 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.924 -11.472 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.438 -13.114 -1.035 1.00 0.00 H new ATOM 1400 N THR A 92 -2.778 -13.686 2.425 1.00 0.00 N ATOM 1401 CA THR A 92 -2.307 -14.882 3.103 1.00 0.00 C ATOM 1402 C THR A 92 -3.490 -15.736 3.562 1.00 0.00 C ATOM 1403 O THR A 92 -4.564 -15.211 3.853 1.00 0.00 O ATOM 1404 CB THR A 92 -1.392 -14.446 4.249 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.291 -14.086 5.294 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.642 -13.148 3.939 1.00 0.00 C ATOM 0 H THR A 92 -3.158 -12.968 3.042 1.00 0.00 H new ATOM 0 HA THR A 92 -1.730 -15.517 2.430 1.00 0.00 H new ATOM 0 HB THR A 92 -0.674 -15.238 4.461 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.781 -13.792 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.007 -12.884 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.025 -13.288 3.052 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.359 -12.347 3.760 1.00 0.00 H new ATOM 1414 N THR A 93 -3.254 -17.039 3.612 1.00 0.00 N ATOM 1415 CA THR A 93 -4.287 -17.971 4.031 1.00 0.00 C ATOM 1416 C THR A 93 -3.696 -19.048 4.942 1.00 0.00 C ATOM 1417 O THR A 93 -2.557 -18.930 5.392 1.00 0.00 O ATOM 1418 CB THR A 93 -4.951 -18.536 2.774 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.858 -18.958 1.963 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.639 -17.454 1.938 1.00 0.00 C ATOM 0 H THR A 93 -2.363 -17.471 3.369 1.00 0.00 H new ATOM 0 HA THR A 93 -5.053 -17.472 4.625 1.00 0.00 H new ATOM 0 HB THR A 93 -5.681 -19.294 3.059 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.011 -19.878 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.094 -17.909 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.411 -16.968 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.903 -16.714 1.625 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.496 -20.075 5.188 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.066 -21.173 6.037 1.00 0.00 C ATOM 1430 C ASP A 94 -3.000 -21.990 5.306 1.00 0.00 C ATOM 1431 O ASP A 94 -2.322 -22.818 5.914 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.234 -22.105 6.365 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.352 -22.500 7.839 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.471 -22.069 8.614 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -6.320 -23.224 8.156 1.00 0.00 O ATOM 0 H ASP A 94 -5.440 -20.170 4.814 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.671 -20.750 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.162 -21.622 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.134 -23.012 5.768 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.884 -21.730 4.012 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.911 -22.431 3.192 1.00 0.00 C ATOM 1442 C GLY A 95 -0.625 -21.614 3.047 1.00 0.00 C ATOM 1443 O GLY A 95 0.468 -22.175 2.987 1.00 0.00 O ATOM 0 H GLY A 95 -3.448 -21.043 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.683 -23.398 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.334 -22.627 2.207 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.799 -20.302 2.994 1.00 0.00 N ATOM 1448 CA GLY A 96 0.334 -19.402 2.857 1.00 0.00 C ATOM 1449 C GLY A 96 -0.074 -18.113 2.141 1.00 0.00 C ATOM 1450 O GLY A 96 -1.173 -17.602 2.352 1.00 0.00 O ATOM 0 H GLY A 96 -1.707 -19.840 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.735 -19.164 3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.130 -19.896 2.300 1.00 0.00 H new ATOM 1454 N ASP A 97 0.834 -17.623 1.310 1.00 0.00 N ATOM 1455 CA ASP A 97 0.583 -16.403 0.562 1.00 0.00 C ATOM 1456 C ASP A 97 -0.419 -16.693 -0.558 1.00 0.00 C ATOM 1457 O ASP A 97 -1.010 -17.771 -0.603 1.00 0.00 O ATOM 1458 CB ASP A 97 1.868 -15.875 -0.079 1.00 0.00 C ATOM 1459 CG ASP A 97 3.157 -16.246 0.657 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.052 -16.561 1.862 1.00 0.00 O ATOM 1461 OD2 ASP A 97 4.218 -16.206 -0.002 1.00 0.00 O ATOM 0 H ASP A 97 1.745 -18.049 1.138 1.00 0.00 H new ATOM 0 HA ASP A 97 0.193 -15.658 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.929 -16.252 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.804 -14.789 -0.144 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.579 -15.712 -1.434 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.499 -15.849 -2.551 1.00 0.00 C ATOM 1468 C GLY A 98 -0.983 -15.100 -3.781 1.00 0.00 C ATOM 1469 O GLY A 98 0.131 -15.347 -4.240 1.00 0.00 O ATOM 0 H GLY A 98 -0.087 -14.819 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.630 -16.904 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.478 -15.462 -2.270 1.00 0.00 H new ATOM 1473 N THR A 99 -1.818 -14.200 -4.279 1.00 0.00 N ATOM 1474 CA THR A 99 -1.460 -13.413 -5.447 1.00 0.00 C ATOM 1475 C THR A 99 -1.099 -11.984 -5.038 1.00 0.00 C ATOM 1476 O THR A 99 -1.575 -11.488 -4.018 1.00 0.00 O ATOM 1477 CB THR A 99 -2.622 -13.486 -6.440 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.822 -14.882 -6.639 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.241 -12.963 -7.827 1.00 0.00 C ATOM 0 H THR A 99 -2.741 -13.998 -3.895 1.00 0.00 H new ATOM 0 HA THR A 99 -0.571 -13.812 -5.935 1.00 0.00 H new ATOM 0 HB THR A 99 -3.465 -12.912 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.445 -15.020 -7.382 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.101 -13.037 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.930 -11.921 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.420 -13.558 -8.227 1.00 0.00 H new ATOM 1487 N SER A 100 -0.260 -11.363 -5.854 1.00 0.00 N ATOM 1488 CA SER A 100 0.171 -10.001 -5.589 1.00 0.00 C ATOM 1489 C SER A 100 -0.544 -9.033 -6.534 1.00 0.00 C ATOM 1490 O SER A 100 -0.499 -9.201 -7.751 1.00 0.00 O ATOM 1491 CB SER A 100 1.687 -9.864 -5.737 1.00 0.00 C ATOM 1492 OG SER A 100 2.375 -11.027 -5.285 1.00 0.00 O ATOM 0 H SER A 100 0.133 -11.778 -6.699 1.00 0.00 H new ATOM 0 HA SER A 100 -0.090 -9.754 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.934 -9.680 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.030 -8.997 -5.171 1.00 0.00 H new ATOM 0 HG SER A 100 3.336 -10.920 -5.442 1.00 0.00 H new ATOM 1498 N SER A 101 -1.188 -8.041 -5.937 1.00 0.00 N ATOM 1499 CA SER A 101 -1.912 -7.046 -6.710 1.00 0.00 C ATOM 1500 C SER A 101 -0.950 -6.305 -7.641 1.00 0.00 C ATOM 1501 O SER A 101 0.228 -6.649 -7.723 1.00 0.00 O ATOM 1502 CB SER A 101 -2.633 -6.055 -5.795 1.00 0.00 C ATOM 1503 OG SER A 101 -1.724 -5.183 -5.130 1.00 0.00 O ATOM 0 H SER A 101 -1.224 -7.905 -4.927 1.00 0.00 H new ATOM 0 HA SER A 101 -2.664 -7.560 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.337 -5.465 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.216 -6.603 -5.055 1.00 0.00 H new ATOM 0 HG SER A 101 -1.577 -4.384 -5.678 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.488 -5.303 -8.320 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.692 -4.511 -9.242 1.00 0.00 C ATOM 1511 C GLU A 102 0.296 -3.633 -8.471 1.00 0.00 C ATOM 1512 O GLU A 102 -0.102 -2.860 -7.602 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.586 -3.663 -10.149 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.826 -4.361 -11.490 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.306 -4.708 -11.669 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -3.748 -5.669 -11.004 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.961 -4.005 -12.468 1.00 0.00 O ATOM 0 H GLU A 102 -2.466 -5.021 -8.250 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.125 -5.191 -9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.540 -3.478 -9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.121 -2.692 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.499 -3.715 -12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.226 -5.270 -11.544 1.00 0.00 H new ATOM 1524 N GLN A 103 1.566 -3.783 -8.818 1.00 0.00 N ATOM 1525 CA GLN A 103 2.615 -3.014 -8.170 1.00 0.00 C ATOM 1526 C GLN A 103 2.253 -1.528 -8.159 1.00 0.00 C ATOM 1527 O GLN A 103 1.837 -0.979 -9.178 1.00 0.00 O ATOM 1528 CB GLN A 103 3.965 -3.245 -8.851 1.00 0.00 C ATOM 1529 CG GLN A 103 4.660 -4.486 -8.286 1.00 0.00 C ATOM 1530 CD GLN A 103 5.639 -5.076 -9.303 1.00 0.00 C ATOM 1531 OE1 GLN A 103 5.746 -6.280 -9.473 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.345 -4.165 -9.966 1.00 0.00 N ATOM 0 H GLN A 103 1.892 -4.426 -9.540 1.00 0.00 H new ATOM 0 HA GLN A 103 2.704 -3.354 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.819 -3.363 -9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.602 -2.372 -8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.193 -4.224 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.914 -5.234 -8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.205 -3.173 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.026 -4.458 -10.666 1.00 0.00 H new ATOM 1541 N ILE A 104 2.424 -0.918 -6.995 1.00 0.00 N ATOM 1542 CA ILE A 104 2.121 0.494 -6.838 1.00 0.00 C ATOM 1543 C ILE A 104 3.350 1.321 -7.222 1.00 0.00 C ATOM 1544 O ILE A 104 4.465 0.803 -7.255 1.00 0.00 O ATOM 1545 CB ILE A 104 1.606 0.777 -5.425 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.641 -0.316 -4.964 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.978 2.170 -5.340 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.406 0.247 -4.001 1.00 0.00 C ATOM 0 H ILE A 104 2.769 -1.376 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 104 1.316 0.788 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 104 2.456 0.764 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.145 -0.757 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.198 -1.115 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.620 2.346 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.724 2.922 -5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.142 2.235 -6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.079 -0.551 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.092 0.665 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.977 1.029 -4.501 1.00 0.00 H new ATOM 1560 N ARG A 105 3.104 2.592 -7.503 1.00 0.00 N ATOM 1561 CA ARG A 105 4.176 3.495 -7.884 1.00 0.00 C ATOM 1562 C ARG A 105 4.082 4.797 -7.085 1.00 0.00 C ATOM 1563 O ARG A 105 3.268 5.664 -7.398 1.00 0.00 O ATOM 1564 CB ARG A 105 4.121 3.817 -9.378 1.00 0.00 C ATOM 1565 CG ARG A 105 5.528 3.904 -9.973 1.00 0.00 C ATOM 1566 CD ARG A 105 5.519 3.536 -11.458 1.00 0.00 C ATOM 1567 NE ARG A 105 6.690 4.138 -12.135 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.811 5.444 -12.407 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.834 6.294 -12.060 1.00 0.00 N ATOM 1570 NH2 ARG A 105 7.908 5.901 -13.025 1.00 0.00 N ATOM 0 H ARG A 105 2.178 3.018 -7.474 1.00 0.00 H new ATOM 0 HA ARG A 105 5.121 2.998 -7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.549 3.049 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.599 4.761 -9.531 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.918 4.914 -9.847 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.197 3.234 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.539 2.452 -11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.598 3.889 -11.923 1.00 0.00 H new ATOM 0 HE ARG A 105 7.452 3.519 -12.412 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.999 5.946 -11.589 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.926 7.289 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.652 5.254 -13.289 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.000 6.896 -13.232 1.00 0.00 H new ATOM 1584 N ILE A 106 4.927 4.893 -6.069 1.00 0.00 N ATOM 1585 CA ILE A 106 4.950 6.074 -5.223 1.00 0.00 C ATOM 1586 C ILE A 106 6.285 6.799 -5.402 1.00 0.00 C ATOM 1587 O ILE A 106 7.283 6.430 -4.784 1.00 0.00 O ATOM 1588 CB ILE A 106 4.642 5.700 -3.772 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.333 4.915 -3.674 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.636 6.940 -2.876 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.372 3.928 -2.505 1.00 0.00 C ATOM 0 H ILE A 106 5.601 4.172 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 106 4.167 6.771 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 106 5.436 5.046 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.500 5.605 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.158 4.375 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.415 6.646 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.614 7.420 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.875 7.638 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.429 3.383 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.191 3.224 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.523 4.473 -1.573 1.00 0.00 H new ATOM 1603 N PRO A 107 6.261 7.844 -6.272 1.00 0.00 N ATOM 1604 CA PRO A 107 7.457 8.623 -6.540 1.00 0.00 C ATOM 1605 C PRO A 107 7.775 9.559 -5.372 1.00 0.00 C ATOM 1606 O PRO A 107 6.923 9.806 -4.520 1.00 0.00 O ATOM 1607 CB PRO A 107 7.162 9.366 -7.832 1.00 0.00 C ATOM 1608 CG PRO A 107 5.651 9.339 -7.993 1.00 0.00 C ATOM 1609 CD PRO A 107 5.097 8.309 -7.022 1.00 0.00 C ATOM 0 HA PRO A 107 8.347 8.003 -6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.532 10.390 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.654 8.887 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.228 10.322 -7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.381 9.082 -9.017 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.350 8.749 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.612 7.488 -7.550 1.00 0.00 H new ATOM 1617 N ARG A 108 9.004 10.054 -5.369 1.00 0.00 N ATOM 1618 CA ARG A 108 9.445 10.957 -4.319 1.00 0.00 C ATOM 1619 C ARG A 108 8.306 11.896 -3.914 1.00 0.00 C ATOM 1620 O ARG A 108 7.487 12.279 -4.748 1.00 0.00 O ATOM 1621 CB ARG A 108 10.644 11.789 -4.777 1.00 0.00 C ATOM 1622 CG ARG A 108 11.960 11.078 -4.452 1.00 0.00 C ATOM 1623 CD ARG A 108 12.716 10.714 -5.731 1.00 0.00 C ATOM 1624 NE ARG A 108 13.246 11.938 -6.372 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.943 11.946 -7.517 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.198 10.795 -8.153 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.384 13.105 -8.025 1.00 0.00 N ATOM 0 H ARG A 108 9.708 9.847 -6.077 1.00 0.00 H new ATOM 0 HA ARG A 108 9.743 10.351 -3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.578 11.968 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.623 12.764 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.581 11.721 -3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.757 10.175 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.534 10.032 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.052 10.192 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 108 13.070 12.832 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.862 9.913 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.728 10.800 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.189 13.981 -7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.914 13.111 -8.896 1.00 0.00 H new