USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 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 84 ASN : amide:sc= 0.0118 X(o=-0.76,f=-0.78) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.768 K(o=-0.76,f=-1.8) USER MOD Set 2.1: A 30 MET CE :methyl -165:sc=-0.00504 (180deg=-0.161) USER MOD Set 2.2: A 44 MET CE :methyl 150:sc= -1.29 (180deg=-1.33) USER MOD Single : A 16 THR OG1 : rot 48:sc= 0.752 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 28:sc= 0.406 USER MOD Single : A 37 GLN : amide:sc= -2.78 K(o=-2.8,f=-4.1!) USER MOD Single : A 43 SER OG : rot -75:sc= 0.59 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 46 ASN : amide:sc= 1.03 K(o=1,f=-0.19) USER MOD Single : A 51 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.38) USER MOD Single : A 54 THR OG1 : rot 64:sc= -0.378 USER MOD Single : A 58 LYS NZ :NH3+ -116:sc=-0.00391 (180deg=-0.732) USER MOD Single : A 59 SER OG : rot -23:sc= 0.286! USER MOD Single : A 62 GLN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.996) USER MOD Single : A 76 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.25) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -156:sc= -0.0569 (180deg=-0.424) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 171:sc= -0.558 (180deg=-0.622) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -10.032 -2.074 -4.975 1.00 0.00 N ATOM 191 CA THR A 16 -10.888 -1.022 -4.443 1.00 0.00 C ATOM 192 C THR A 16 -11.731 -1.534 -3.281 1.00 0.00 C ATOM 193 O THR A 16 -12.789 -2.130 -3.486 1.00 0.00 O ATOM 194 CB THR A 16 -11.821 -0.453 -5.529 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.603 -1.507 -6.103 1.00 0.00 O ATOM 196 CG2 THR A 16 -11.021 0.244 -6.619 1.00 0.00 C ATOM 0 HA THR A 16 -10.230 -0.229 -4.089 1.00 0.00 H new ATOM 0 HB THR A 16 -12.482 0.278 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.991 -2.054 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.701 0.637 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.449 1.063 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.338 -0.469 -7.082 1.00 0.00 H new ATOM 204 N ILE A 17 -11.258 -1.297 -2.063 1.00 0.00 N ATOM 205 CA ILE A 17 -11.970 -1.733 -0.868 1.00 0.00 C ATOM 206 C ILE A 17 -12.148 -0.583 0.117 1.00 0.00 C ATOM 207 O ILE A 17 -11.171 0.003 0.585 1.00 0.00 O ATOM 208 CB ILE A 17 -11.235 -2.888 -0.164 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.098 -4.085 -1.107 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.971 -3.289 1.106 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.142 -5.144 -0.605 1.00 0.00 C ATOM 0 H ILE A 17 -10.384 -0.805 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.949 -2.083 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.236 -2.549 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.080 -4.534 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.758 -3.733 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.439 -4.107 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.021 -2.436 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.981 -3.612 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.095 -5.962 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.149 -4.710 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.492 -5.524 0.355 1.00 0.00 H new ATOM 223 N ILE A 18 -13.400 -0.266 0.428 1.00 0.00 N ATOM 224 CA ILE A 18 -13.706 0.813 1.360 1.00 0.00 C ATOM 225 C ILE A 18 -13.883 0.280 2.778 1.00 0.00 C ATOM 226 O ILE A 18 -14.530 -0.746 2.992 1.00 0.00 O ATOM 227 CB ILE A 18 -14.980 1.571 0.946 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.799 2.201 -0.437 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.323 2.635 1.978 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.681 3.219 -0.495 1.00 0.00 C ATOM 0 H ILE A 18 -14.219 -0.741 0.049 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.861 1.501 1.335 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.806 0.862 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.600 1.413 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.732 2.680 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.226 3.162 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.490 2.163 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.499 3.344 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.610 3.624 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.888 4.027 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.739 2.740 -0.229 1.00 0.00 H new ATOM 242 N LEU A 19 -13.305 0.984 3.745 1.00 0.00 N ATOM 243 CA LEU A 19 -13.400 0.584 5.145 1.00 0.00 C ATOM 244 C LEU A 19 -14.388 1.469 5.898 1.00 0.00 C ATOM 245 O LEU A 19 -14.393 2.692 5.760 1.00 0.00 O ATOM 246 CB LEU A 19 -12.024 0.653 5.810 1.00 0.00 C ATOM 247 CG LEU A 19 -11.790 -0.315 6.970 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.832 -1.754 6.480 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.462 -0.020 7.651 1.00 0.00 C ATOM 0 H LEU A 19 -12.765 1.835 3.585 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.762 -0.444 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.265 0.467 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.869 1.669 6.174 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.588 -0.178 7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.663 -2.429 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.807 -1.960 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.055 -1.906 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.312 -0.719 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.651 -0.129 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.470 0.999 8.037 1.00 0.00 H new ATOM 261 N PRO A 20 -15.242 0.838 6.717 1.00 0.00 N ATOM 262 CA PRO A 20 -16.249 1.550 7.511 1.00 0.00 C ATOM 263 C PRO A 20 -15.626 2.371 8.635 1.00 0.00 C ATOM 264 O PRO A 20 -14.403 2.461 8.745 1.00 0.00 O ATOM 265 CB PRO A 20 -17.108 0.422 8.087 1.00 0.00 C ATOM 266 CG PRO A 20 -16.208 -0.765 8.115 1.00 0.00 C ATOM 267 CD PRO A 20 -15.292 -0.618 6.931 1.00 0.00 C ATOM 0 HA PRO A 20 -16.809 2.267 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.468 0.669 9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.986 0.238 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.641 -0.803 9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.781 -1.690 8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.303 -1.028 7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.680 -1.140 6.056 1.00 0.00 H new ATOM 275 N GLU A 21 -16.474 2.968 9.466 1.00 0.00 N ATOM 276 CA GLU A 21 -16.005 3.782 10.581 1.00 0.00 C ATOM 277 C GLU A 21 -15.921 2.955 11.861 1.00 0.00 C ATOM 278 O GLU A 21 -15.908 3.500 12.965 1.00 0.00 O ATOM 279 CB GLU A 21 -16.934 4.979 10.794 1.00 0.00 C ATOM 280 CG GLU A 21 -18.370 4.587 11.100 1.00 0.00 C ATOM 281 CD GLU A 21 -19.245 5.783 11.422 1.00 0.00 C ATOM 282 OE1 GLU A 21 -18.930 6.506 12.390 1.00 0.00 O ATOM 283 OE2 GLU A 21 -20.245 5.996 10.705 1.00 0.00 O ATOM 0 H GLU A 21 -17.489 2.903 9.388 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.007 4.145 10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.549 5.586 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.919 5.604 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.788 4.056 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.382 3.895 11.942 1.00 0.00 H new ATOM 290 N ASP A 22 -15.864 1.637 11.704 1.00 0.00 N ATOM 291 CA ASP A 22 -15.781 0.734 12.846 1.00 0.00 C ATOM 292 C ASP A 22 -14.391 0.113 12.947 1.00 0.00 C ATOM 293 O ASP A 22 -14.054 -0.517 13.950 1.00 0.00 O ATOM 294 CB ASP A 22 -16.838 -0.365 12.732 1.00 0.00 C ATOM 295 CG ASP A 22 -18.160 0.036 13.356 1.00 0.00 C ATOM 296 OD1 ASP A 22 -18.782 0.999 12.860 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.574 -0.614 14.338 1.00 0.00 O ATOM 0 H ASP A 22 -15.874 1.170 10.797 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.967 1.313 13.751 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.994 -0.607 11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.471 -1.270 13.216 1.00 0.00 H new ATOM 302 N ILE A 23 -13.590 0.295 11.903 1.00 0.00 N ATOM 303 CA ILE A 23 -12.238 -0.248 11.875 1.00 0.00 C ATOM 304 C ILE A 23 -11.214 0.807 12.281 1.00 0.00 C ATOM 305 O ILE A 23 -11.354 1.983 11.947 1.00 0.00 O ATOM 306 CB ILE A 23 -11.876 -0.787 10.478 1.00 0.00 C ATOM 307 CG1 ILE A 23 -13.131 -1.289 9.761 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.844 -1.899 10.591 1.00 0.00 C ATOM 309 CD1 ILE A 23 -14.026 -2.141 10.634 1.00 0.00 C ATOM 0 H ILE A 23 -13.854 0.814 11.066 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.213 -1.070 12.590 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.445 0.024 9.892 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.699 -0.433 9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.833 -1.867 8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.598 -2.270 9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.943 -1.512 11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.250 -2.713 11.191 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.896 -2.461 10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.474 -3.017 10.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.354 -1.560 11.496 1.00 0.00 H new ATOM 321 N GLU A 24 -10.183 0.377 13.001 1.00 0.00 N ATOM 322 CA GLU A 24 -9.134 1.285 13.452 1.00 0.00 C ATOM 323 C GLU A 24 -7.926 1.225 12.521 1.00 0.00 C ATOM 324 O GLU A 24 -7.296 0.177 12.369 1.00 0.00 O ATOM 325 CB GLU A 24 -8.709 0.940 14.880 1.00 0.00 C ATOM 326 CG GLU A 24 -7.382 1.558 15.286 1.00 0.00 C ATOM 327 CD GLU A 24 -7.189 1.592 16.790 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.657 2.560 17.426 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.572 0.650 17.331 1.00 0.00 O ATOM 0 H GLU A 24 -10.051 -0.594 13.285 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.534 2.299 13.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.483 1.275 15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.641 -0.143 14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.568 0.993 14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.323 2.573 14.893 1.00 0.00 H new ATOM 336 N LEU A 25 -7.609 2.355 11.900 1.00 0.00 N ATOM 337 CA LEU A 25 -6.477 2.433 10.983 1.00 0.00 C ATOM 338 C LEU A 25 -5.218 2.893 11.711 1.00 0.00 C ATOM 339 O LEU A 25 -5.208 3.942 12.356 1.00 0.00 O ATOM 340 CB LEU A 25 -6.793 3.389 9.832 1.00 0.00 C ATOM 341 CG LEU A 25 -7.702 2.839 8.732 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.171 3.959 7.817 1.00 0.00 C ATOM 343 CD2 LEU A 25 -6.981 1.762 7.934 1.00 0.00 C ATOM 0 H LEU A 25 -8.120 3.230 12.014 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.298 1.436 10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.258 4.283 10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.853 3.701 9.377 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.578 2.391 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.817 3.548 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.726 4.695 8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.307 4.437 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.642 1.382 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.087 2.186 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.696 0.946 8.598 1.00 0.00 H new ATOM 355 N LYS A 26 -4.155 2.103 11.601 1.00 0.00 N ATOM 356 CA LYS A 26 -2.889 2.430 12.245 1.00 0.00 C ATOM 357 C LYS A 26 -1.884 2.964 11.229 1.00 0.00 C ATOM 358 O LYS A 26 -1.830 2.521 10.082 1.00 0.00 O ATOM 359 CB LYS A 26 -2.315 1.195 12.945 1.00 0.00 C ATOM 360 CG LYS A 26 -3.136 0.737 14.138 1.00 0.00 C ATOM 361 CD LYS A 26 -3.021 -0.764 14.350 1.00 0.00 C ATOM 362 CE LYS A 26 -4.027 -1.525 13.502 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.767 -2.992 13.515 1.00 0.00 N ATOM 0 H LYS A 26 -4.146 1.231 11.071 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.077 3.206 12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.247 0.379 12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.300 1.414 13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.800 1.259 15.034 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.182 1.005 13.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.012 -1.091 14.101 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.181 -0.997 15.403 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.034 -1.331 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.988 -1.158 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.474 -3.475 12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.816 -3.179 13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.829 -3.347 14.491 1.00 0.00 H new ATOM 377 N PRO A 27 -1.066 3.936 11.659 1.00 0.00 N ATOM 378 CA PRO A 27 -0.047 4.550 10.803 1.00 0.00 C ATOM 379 C PRO A 27 1.098 3.593 10.488 1.00 0.00 C ATOM 380 O PRO A 27 1.910 3.273 11.356 1.00 0.00 O ATOM 381 CB PRO A 27 0.457 5.728 11.640 1.00 0.00 C ATOM 382 CG PRO A 27 0.183 5.336 13.051 1.00 0.00 C ATOM 383 CD PRO A 27 -1.074 4.512 13.015 1.00 0.00 C ATOM 0 HA PRO A 27 -0.451 4.840 9.833 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.521 5.903 11.477 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.061 6.650 11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.013 4.764 13.465 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.055 6.215 13.683 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.068 3.737 13.781 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.960 5.123 13.187 1.00 0.00 H new ATOM 391 N LEU A 28 1.156 3.139 9.241 1.00 0.00 N ATOM 392 CA LEU A 28 2.203 2.218 8.810 1.00 0.00 C ATOM 393 C LEU A 28 3.475 2.973 8.440 1.00 0.00 C ATOM 394 O LEU A 28 4.584 2.498 8.681 1.00 0.00 O ATOM 395 CB LEU A 28 1.722 1.390 7.617 1.00 0.00 C ATOM 396 CG LEU A 28 2.801 0.944 6.631 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.373 -0.323 5.907 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.104 2.054 5.634 1.00 0.00 C ATOM 0 H LEU A 28 0.491 3.393 8.511 1.00 0.00 H new ATOM 0 HA LEU A 28 2.429 1.550 9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.216 0.502 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.979 1.972 7.072 1.00 0.00 H new ATOM 0 HG LEU A 28 3.711 0.727 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.154 -0.625 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.208 -1.119 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.450 -0.135 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.874 1.719 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.199 2.302 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.456 2.937 6.168 1.00 0.00 H new ATOM 410 N GLY A 29 3.306 4.155 7.854 1.00 0.00 N ATOM 411 CA GLY A 29 4.448 4.959 7.462 1.00 0.00 C ATOM 412 C GLY A 29 4.062 6.117 6.564 1.00 0.00 C ATOM 413 O GLY A 29 2.987 6.697 6.716 1.00 0.00 O ATOM 0 H GLY A 29 2.398 4.570 7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.940 5.344 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.172 4.329 6.946 1.00 0.00 H new ATOM 417 N MET A 30 4.941 6.456 5.626 1.00 0.00 N ATOM 418 CA MET A 30 4.686 7.553 4.701 1.00 0.00 C ATOM 419 C MET A 30 5.518 7.399 3.432 1.00 0.00 C ATOM 420 O MET A 30 6.689 7.024 3.487 1.00 0.00 O ATOM 421 CB MET A 30 4.996 8.895 5.368 1.00 0.00 C ATOM 422 CG MET A 30 5.315 10.005 4.381 1.00 0.00 C ATOM 423 SD MET A 30 7.076 10.117 4.006 1.00 0.00 S ATOM 424 CE MET A 30 7.696 10.863 5.512 1.00 0.00 C ATOM 0 H MET A 30 5.836 5.986 5.487 1.00 0.00 H new ATOM 0 HA MET A 30 3.631 7.526 4.428 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.142 9.195 5.976 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.841 8.768 6.045 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.761 9.835 3.458 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.973 10.957 4.788 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.705 11.240 5.343 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.045 11.687 5.804 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.716 10.117 6.306 1.00 0.00 H new ATOM 434 N VAL A 31 4.905 7.690 2.288 1.00 0.00 N ATOM 435 CA VAL A 31 5.590 7.585 1.005 1.00 0.00 C ATOM 436 C VAL A 31 6.979 8.210 1.071 1.00 0.00 C ATOM 437 O VAL A 31 7.120 9.411 1.299 1.00 0.00 O ATOM 438 CB VAL A 31 4.785 8.265 -0.118 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.499 8.114 -1.453 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.379 7.689 -0.189 1.00 0.00 C ATOM 0 H VAL A 31 3.935 8.000 2.224 1.00 0.00 H new ATOM 0 HA VAL A 31 5.684 6.522 0.782 1.00 0.00 H new ATOM 0 HB VAL A 31 4.707 9.329 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.916 8.601 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.484 8.578 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.610 7.056 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.824 8.181 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.434 6.619 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.870 7.853 0.761 1.00 0.00 H new ATOM 450 N SER A 32 8.002 7.386 0.869 1.00 0.00 N ATOM 451 CA SER A 32 9.382 7.857 0.908 1.00 0.00 C ATOM 452 C SER A 32 9.931 8.048 -0.503 1.00 0.00 C ATOM 453 O SER A 32 10.718 8.960 -0.757 1.00 0.00 O ATOM 454 CB SER A 32 10.259 6.870 1.680 1.00 0.00 C ATOM 455 OG SER A 32 11.371 7.524 2.265 1.00 0.00 O ATOM 0 H SER A 32 7.902 6.389 0.677 1.00 0.00 H new ATOM 0 HA SER A 32 9.397 8.820 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.668 6.385 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.607 6.086 1.008 1.00 0.00 H new ATOM 0 HG SER A 32 11.914 6.871 2.754 1.00 0.00 H new ATOM 461 N SER A 33 9.510 7.180 -1.417 1.00 0.00 N ATOM 462 CA SER A 33 9.962 7.249 -2.802 1.00 0.00 C ATOM 463 C SER A 33 8.933 6.627 -3.741 1.00 0.00 C ATOM 464 O SER A 33 7.957 6.022 -3.296 1.00 0.00 O ATOM 465 CB SER A 33 11.307 6.536 -2.958 1.00 0.00 C ATOM 466 OG SER A 33 12.382 7.401 -2.634 1.00 0.00 O ATOM 0 H SER A 33 8.857 6.421 -1.224 1.00 0.00 H new ATOM 0 HA SER A 33 10.082 8.299 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.334 5.659 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.418 6.181 -3.983 1.00 0.00 H new ATOM 0 HG SER A 33 12.081 8.067 -1.981 1.00 0.00 H new ATOM 472 N ILE A 34 9.158 6.781 -5.041 1.00 0.00 N ATOM 473 CA ILE A 34 8.252 6.234 -6.043 1.00 0.00 C ATOM 474 C ILE A 34 9.021 5.520 -7.149 1.00 0.00 C ATOM 475 O ILE A 34 9.931 6.088 -7.753 1.00 0.00 O ATOM 476 CB ILE A 34 7.377 7.335 -6.671 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.284 7.769 -5.692 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.764 6.846 -7.974 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.711 8.887 -4.766 1.00 0.00 C ATOM 0 H ILE A 34 9.960 7.280 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 34 7.610 5.518 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 34 8.006 8.198 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.409 8.090 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.980 6.909 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.149 7.635 -8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.558 6.582 -8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.146 5.970 -7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.887 9.143 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.568 8.563 -4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.987 9.762 -5.355 1.00 0.00 H new ATOM 491 N ILE A 35 8.649 4.271 -7.409 1.00 0.00 N ATOM 492 CA ILE A 35 9.302 3.480 -8.445 1.00 0.00 C ATOM 493 C ILE A 35 8.662 3.722 -9.807 1.00 0.00 C ATOM 494 O ILE A 35 7.487 4.078 -9.898 1.00 0.00 O ATOM 495 CB ILE A 35 9.244 1.975 -8.123 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.976 1.683 -6.811 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.846 1.167 -9.263 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.676 0.313 -6.245 1.00 0.00 C ATOM 0 H ILE A 35 7.899 3.785 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 35 10.344 3.798 -8.475 1.00 0.00 H new ATOM 0 HB ILE A 35 8.200 1.683 -8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.050 1.772 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.702 2.439 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.798 0.105 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.286 1.356 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.886 1.460 -9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.228 0.174 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.607 0.227 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.976 -0.451 -6.963 1.00 0.00 H new ATOM 510 N GLU A 36 9.443 3.525 -10.865 1.00 0.00 N ATOM 511 CA GLU A 36 8.951 3.722 -12.224 1.00 0.00 C ATOM 512 C GLU A 36 7.473 3.357 -12.326 1.00 0.00 C ATOM 513 O GLU A 36 6.686 4.079 -12.937 1.00 0.00 O ATOM 514 CB GLU A 36 9.764 2.881 -13.211 1.00 0.00 C ATOM 515 CG GLU A 36 11.213 2.690 -12.797 1.00 0.00 C ATOM 516 CD GLU A 36 11.411 1.479 -11.907 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.599 0.534 -12.003 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.375 1.475 -11.114 1.00 0.00 O ATOM 0 H GLU A 36 10.418 3.230 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 36 9.065 4.777 -12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.293 1.904 -13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.735 3.357 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.831 2.586 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.558 3.581 -12.273 1.00 0.00 H new ATOM 525 N GLN A 37 7.104 2.231 -11.723 1.00 0.00 N ATOM 526 CA GLN A 37 5.722 1.769 -11.746 1.00 0.00 C ATOM 527 C GLN A 37 5.186 1.580 -10.331 1.00 0.00 C ATOM 528 O GLN A 37 4.019 1.860 -10.054 1.00 0.00 O ATOM 529 CB GLN A 37 5.613 0.457 -12.525 1.00 0.00 C ATOM 530 CG GLN A 37 6.907 -0.340 -12.557 1.00 0.00 C ATOM 531 CD GLN A 37 7.766 -0.011 -13.762 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.336 0.703 -14.668 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.988 -0.530 -13.778 1.00 0.00 N ATOM 0 H GLN A 37 7.744 1.622 -11.213 1.00 0.00 H new ATOM 0 HA GLN A 37 5.120 2.530 -12.243 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.829 -0.156 -12.080 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.305 0.676 -13.548 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.474 -0.142 -11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.673 -1.405 -12.562 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.303 -1.117 -13.005 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.612 -0.342 -14.563 1.00 0.00 H new ATOM 542 N LEU A 38 6.046 1.103 -9.438 1.00 0.00 N ATOM 543 CA LEU A 38 5.660 0.876 -8.049 1.00 0.00 C ATOM 544 C LEU A 38 5.937 2.111 -7.198 1.00 0.00 C ATOM 545 O LEU A 38 6.497 3.096 -7.679 1.00 0.00 O ATOM 546 CB LEU A 38 6.412 -0.329 -7.481 1.00 0.00 C ATOM 547 CG LEU A 38 6.319 -1.622 -8.292 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.045 -1.642 -9.121 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.541 -1.779 -9.185 1.00 0.00 C ATOM 0 H LEU A 38 7.015 0.866 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 38 4.589 0.673 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.464 -0.061 -7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.036 -0.526 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 38 6.289 -2.462 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.996 -2.570 -9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.180 -1.576 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.044 -0.794 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.459 -2.704 -9.755 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.601 -0.934 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.440 -1.811 -8.569 1.00 0.00 H new ATOM 561 N VAL A 39 5.543 2.050 -5.930 1.00 0.00 N ATOM 562 CA VAL A 39 5.752 3.161 -5.010 1.00 0.00 C ATOM 563 C VAL A 39 6.425 2.692 -3.725 1.00 0.00 C ATOM 564 O VAL A 39 6.085 1.640 -3.183 1.00 0.00 O ATOM 565 CB VAL A 39 4.423 3.855 -4.657 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.630 4.874 -3.547 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.822 4.513 -5.890 1.00 0.00 C ATOM 0 H VAL A 39 5.077 1.242 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 39 6.402 3.874 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 39 3.724 3.100 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.680 5.354 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.013 4.372 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.346 5.628 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.884 4.999 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.517 5.257 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.635 3.756 -6.652 1.00 0.00 H new ATOM 577 N ILE A 40 7.380 3.479 -3.242 1.00 0.00 N ATOM 578 CA ILE A 40 8.100 3.145 -2.020 1.00 0.00 C ATOM 579 C ILE A 40 7.498 3.861 -0.815 1.00 0.00 C ATOM 580 O ILE A 40 7.212 5.057 -0.870 1.00 0.00 O ATOM 581 CB ILE A 40 9.592 3.511 -2.127 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.224 2.817 -3.336 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.324 3.130 -0.848 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.061 1.314 -3.323 1.00 0.00 C ATOM 0 H ILE A 40 7.673 4.353 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 40 8.008 2.067 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 40 9.678 4.589 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.778 3.215 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.286 3.059 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.377 3.395 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.887 3.665 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.233 2.056 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.533 0.889 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.532 0.905 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.000 1.063 -3.321 1.00 0.00 H new ATOM 596 N ILE A 41 7.310 3.120 0.272 1.00 0.00 N ATOM 597 CA ILE A 41 6.745 3.685 1.492 1.00 0.00 C ATOM 598 C ILE A 41 7.601 3.339 2.706 1.00 0.00 C ATOM 599 O ILE A 41 7.749 2.171 3.060 1.00 0.00 O ATOM 600 CB ILE A 41 5.309 3.183 1.732 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.431 3.482 0.515 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.726 3.824 2.982 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.321 2.476 0.308 1.00 0.00 C ATOM 0 H ILE A 41 7.540 2.128 0.333 1.00 0.00 H new ATOM 0 HA ILE A 41 6.726 4.767 1.359 1.00 0.00 H new ATOM 0 HB ILE A 41 5.337 2.103 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.994 4.474 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.057 3.508 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.711 3.459 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.341 3.566 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.708 4.907 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.740 2.751 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.751 1.485 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.671 2.466 1.183 1.00 0.00 H new ATOM 615 N GLU A 42 8.162 4.365 3.339 1.00 0.00 N ATOM 616 CA GLU A 42 9.003 4.170 4.514 1.00 0.00 C ATOM 617 C GLU A 42 8.158 4.106 5.783 1.00 0.00 C ATOM 618 O GLU A 42 7.209 4.873 5.949 1.00 0.00 O ATOM 619 CB GLU A 42 10.029 5.298 4.628 1.00 0.00 C ATOM 620 CG GLU A 42 10.894 5.211 5.874 1.00 0.00 C ATOM 621 CD GLU A 42 10.270 5.910 7.067 1.00 0.00 C ATOM 622 OE1 GLU A 42 9.057 6.200 7.015 1.00 0.00 O ATOM 623 OE2 GLU A 42 10.995 6.166 8.051 1.00 0.00 O ATOM 0 H GLU A 42 8.049 5.339 3.058 1.00 0.00 H new ATOM 0 HA GLU A 42 9.528 3.222 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.672 5.283 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.506 6.255 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.066 4.163 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.868 5.653 5.667 1.00 0.00 H new ATOM 630 N SER A 43 8.509 3.185 6.675 1.00 0.00 N ATOM 631 CA SER A 43 7.781 3.018 7.928 1.00 0.00 C ATOM 632 C SER A 43 8.417 3.845 9.040 1.00 0.00 C ATOM 633 O SER A 43 9.557 4.293 8.922 1.00 0.00 O ATOM 634 CB SER A 43 7.748 1.542 8.329 1.00 0.00 C ATOM 635 OG SER A 43 9.058 1.007 8.413 1.00 0.00 O ATOM 0 H SER A 43 9.293 2.543 6.554 1.00 0.00 H new ATOM 0 HA SER A 43 6.760 3.369 7.777 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.245 1.434 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.167 0.977 7.600 1.00 0.00 H new ATOM 0 HG SER A 43 9.411 0.862 7.510 1.00 0.00 H new ATOM 641 N MET A 44 7.670 4.044 10.122 1.00 0.00 N ATOM 642 CA MET A 44 8.161 4.816 11.257 1.00 0.00 C ATOM 643 C MET A 44 8.557 3.898 12.409 1.00 0.00 C ATOM 644 O MET A 44 9.740 3.733 12.707 1.00 0.00 O ATOM 645 CB MET A 44 7.095 5.809 11.724 1.00 0.00 C ATOM 646 CG MET A 44 6.360 6.494 10.583 1.00 0.00 C ATOM 647 SD MET A 44 7.204 7.979 10.005 1.00 0.00 S ATOM 648 CE MET A 44 6.425 8.211 8.409 1.00 0.00 C ATOM 0 H MET A 44 6.723 3.681 10.236 1.00 0.00 H new ATOM 0 HA MET A 44 9.045 5.367 10.935 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.371 5.285 12.349 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.566 6.568 12.349 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.253 5.795 9.753 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.354 6.757 10.910 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.403 9.273 8.166 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.991 7.676 7.647 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.406 7.825 8.442 1.00 0.00 H new ATOM 658 N THR A 45 7.559 3.303 13.056 1.00 0.00 N ATOM 659 CA THR A 45 7.803 2.403 14.176 1.00 0.00 C ATOM 660 C THR A 45 6.504 1.780 14.674 1.00 0.00 C ATOM 661 O THR A 45 5.417 2.165 14.247 1.00 0.00 O ATOM 662 CB THR A 45 8.489 3.135 15.345 1.00 0.00 C ATOM 663 OG1 THR A 45 8.797 2.206 16.391 1.00 0.00 O ATOM 664 CG2 THR A 45 7.599 4.241 15.888 1.00 0.00 C ATOM 0 H THR A 45 6.574 3.429 12.823 1.00 0.00 H new ATOM 0 HA THR A 45 8.463 1.616 13.811 1.00 0.00 H new ATOM 0 HB THR A 45 9.411 3.583 14.974 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.234 2.678 17.130 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.105 4.743 16.713 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.391 4.962 15.097 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.662 3.812 16.244 1.00 0.00 H new ATOM 672 N ASN A 46 6.625 0.815 15.579 1.00 0.00 N ATOM 673 CA ASN A 46 5.460 0.138 16.136 1.00 0.00 C ATOM 674 C ASN A 46 4.638 -0.525 15.034 1.00 0.00 C ATOM 675 O ASN A 46 3.416 -0.638 15.139 1.00 0.00 O ATOM 676 CB ASN A 46 4.589 1.130 16.910 1.00 0.00 C ATOM 677 CG ASN A 46 3.839 0.472 18.052 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.160 0.681 19.222 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.834 -0.328 17.716 1.00 0.00 N ATOM 0 H ASN A 46 7.519 0.484 15.943 1.00 0.00 H new ATOM 0 HA ASN A 46 5.812 -0.636 16.818 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.216 1.930 17.304 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.875 1.591 16.228 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.293 -0.799 18.441 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.603 -0.472 16.733 1.00 0.00 H new ATOM 686 N LEU A 47 5.316 -0.960 13.978 1.00 0.00 N ATOM 687 CA LEU A 47 4.650 -1.613 12.857 1.00 0.00 C ATOM 688 C LEU A 47 4.497 -3.109 13.110 1.00 0.00 C ATOM 689 O LEU A 47 5.451 -3.806 13.454 1.00 0.00 O ATOM 690 CB LEU A 47 5.437 -1.380 11.565 1.00 0.00 C ATOM 691 CG LEU A 47 5.057 -0.136 10.763 1.00 0.00 C ATOM 692 CD1 LEU A 47 5.881 1.061 11.212 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.243 -0.385 9.273 1.00 0.00 C ATOM 0 H LEU A 47 6.327 -0.872 13.875 1.00 0.00 H new ATOM 0 HA LEU A 47 3.656 -1.178 12.754 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.496 -1.317 11.815 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.312 -2.253 10.924 1.00 0.00 H new ATOM 0 HG LEU A 47 4.005 0.084 10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.597 1.937 10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.698 1.253 12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.940 0.852 11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.968 0.511 8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.286 -0.630 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.609 -1.215 8.961 1.00 0.00 H new ATOM 705 N PRO A 48 3.267 -3.616 12.933 1.00 0.00 N ATOM 706 CA PRO A 48 2.960 -5.035 13.135 1.00 0.00 C ATOM 707 C PRO A 48 3.586 -5.921 12.063 1.00 0.00 C ATOM 708 O PRO A 48 3.944 -5.465 10.977 1.00 0.00 O ATOM 709 CB PRO A 48 1.433 -5.084 13.044 1.00 0.00 C ATOM 710 CG PRO A 48 1.065 -3.905 12.211 1.00 0.00 C ATOM 711 CD PRO A 48 2.083 -2.843 12.524 1.00 0.00 C ATOM 0 HA PRO A 48 3.356 -5.408 14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.093 -6.013 12.587 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.976 -5.029 14.032 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.077 -4.157 11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.058 -3.561 12.445 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.291 -2.218 11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.741 -2.181 13.319 1.00 0.00 H new ATOM 719 N PRO A 49 3.721 -7.220 12.372 1.00 0.00 N ATOM 720 CA PRO A 49 4.303 -8.197 11.447 1.00 0.00 C ATOM 721 C PRO A 49 3.397 -8.475 10.252 1.00 0.00 C ATOM 722 O PRO A 49 2.687 -9.480 10.219 1.00 0.00 O ATOM 723 CB PRO A 49 4.453 -9.454 12.308 1.00 0.00 C ATOM 724 CG PRO A 49 3.423 -9.308 13.374 1.00 0.00 C ATOM 725 CD PRO A 49 3.315 -7.833 13.648 1.00 0.00 C ATOM 0 HA PRO A 49 5.240 -7.844 11.017 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.290 -10.358 11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.454 -9.526 12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.466 -9.716 13.050 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.713 -9.852 14.273 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.300 -7.549 13.926 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.967 -7.527 14.466 1.00 0.00 H new ATOM 733 N VAL A 50 3.428 -7.578 9.272 1.00 0.00 N ATOM 734 CA VAL A 50 2.611 -7.728 8.073 1.00 0.00 C ATOM 735 C VAL A 50 3.446 -8.219 6.896 1.00 0.00 C ATOM 736 O VAL A 50 4.518 -7.683 6.616 1.00 0.00 O ATOM 737 CB VAL A 50 1.931 -6.401 7.688 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.621 -6.232 8.443 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.863 -5.228 7.954 1.00 0.00 C ATOM 0 H VAL A 50 4.010 -6.740 9.284 1.00 0.00 H new ATOM 0 HA VAL A 50 1.844 -8.467 8.303 1.00 0.00 H new ATOM 0 HB VAL A 50 1.707 -6.424 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.156 -5.289 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.049 -7.056 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.817 -6.230 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.366 -4.298 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.120 -5.200 9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.772 -5.344 7.364 1.00 0.00 H new ATOM 749 N ASN A 51 2.948 -9.242 6.210 1.00 0.00 N ATOM 750 CA ASN A 51 3.648 -9.806 5.062 1.00 0.00 C ATOM 751 C ASN A 51 3.190 -9.144 3.766 1.00 0.00 C ATOM 752 O ASN A 51 2.278 -8.318 3.768 1.00 0.00 O ATOM 753 CB ASN A 51 3.415 -11.316 4.987 1.00 0.00 C ATOM 754 CG ASN A 51 3.673 -12.007 6.312 1.00 0.00 C ATOM 755 OD1 ASN A 51 2.850 -11.950 7.225 1.00 0.00 O ATOM 756 ND2 ASN A 51 4.822 -12.665 6.421 1.00 0.00 N ATOM 0 H ASN A 51 2.062 -9.698 6.429 1.00 0.00 H new ATOM 0 HA ASN A 51 4.714 -9.616 5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.389 -11.507 4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.066 -11.744 4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.052 -13.150 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.474 -12.685 5.637 1.00 0.00 H new ATOM 763 N GLU A 52 3.829 -9.514 2.660 1.00 0.00 N ATOM 764 CA GLU A 52 3.487 -8.956 1.358 1.00 0.00 C ATOM 765 C GLU A 52 1.982 -9.024 1.115 1.00 0.00 C ATOM 766 O GLU A 52 1.363 -8.040 0.713 1.00 0.00 O ATOM 767 CB GLU A 52 4.228 -9.704 0.247 1.00 0.00 C ATOM 768 CG GLU A 52 5.740 -9.587 0.339 1.00 0.00 C ATOM 769 CD GLU A 52 6.456 -10.513 -0.626 1.00 0.00 C ATOM 770 OE1 GLU A 52 6.029 -11.679 -0.756 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.443 -10.071 -1.250 1.00 0.00 O ATOM 0 H GLU A 52 4.586 -10.198 2.641 1.00 0.00 H new ATOM 0 HA GLU A 52 3.792 -7.910 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.951 -10.758 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.900 -9.320 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.034 -8.557 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.057 -9.813 1.357 1.00 0.00 H new ATOM 778 N GLU A 53 1.401 -10.194 1.362 1.00 0.00 N ATOM 779 CA GLU A 53 -0.031 -10.391 1.169 1.00 0.00 C ATOM 780 C GLU A 53 -0.830 -9.301 1.876 1.00 0.00 C ATOM 781 O GLU A 53 -1.989 -9.047 1.543 1.00 0.00 O ATOM 782 CB GLU A 53 -0.454 -11.767 1.689 1.00 0.00 C ATOM 783 CG GLU A 53 -1.960 -11.948 1.777 1.00 0.00 C ATOM 784 CD GLU A 53 -2.356 -13.358 2.168 1.00 0.00 C ATOM 785 OE1 GLU A 53 -1.667 -14.308 1.739 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.355 -13.513 2.901 1.00 0.00 O ATOM 0 H GLU A 53 1.899 -11.019 1.696 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.239 -10.335 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.042 -12.536 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.020 -11.922 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.365 -11.246 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.409 -11.702 0.814 1.00 0.00 H new ATOM 793 N THR A 54 -0.204 -8.657 2.857 1.00 0.00 N ATOM 794 CA THR A 54 -0.856 -7.595 3.613 1.00 0.00 C ATOM 795 C THR A 54 -1.268 -6.445 2.702 1.00 0.00 C ATOM 796 O THR A 54 -0.489 -5.995 1.861 1.00 0.00 O ATOM 797 CB THR A 54 0.062 -7.052 4.724 1.00 0.00 C ATOM 798 OG1 THR A 54 0.447 -8.113 5.605 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.636 -5.956 5.515 1.00 0.00 C ATOM 0 H THR A 54 0.754 -8.853 3.146 1.00 0.00 H new ATOM 0 HA THR A 54 -1.746 -8.031 4.068 1.00 0.00 H new ATOM 0 HB THR A 54 0.951 -6.630 4.256 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.976 -8.773 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.032 -5.588 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.900 -5.137 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.541 -6.357 5.972 1.00 0.00 H new ATOM 807 N VAL A 55 -2.498 -5.971 2.874 1.00 0.00 N ATOM 808 CA VAL A 55 -3.013 -4.871 2.068 1.00 0.00 C ATOM 809 C VAL A 55 -2.742 -3.527 2.735 1.00 0.00 C ATOM 810 O VAL A 55 -2.867 -3.390 3.952 1.00 0.00 O ATOM 811 CB VAL A 55 -4.527 -5.014 1.824 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.004 -3.990 0.806 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.862 -6.427 1.369 1.00 0.00 C ATOM 0 H VAL A 55 -3.156 -6.332 3.565 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.493 -4.910 1.111 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.048 -4.826 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.076 -4.107 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.800 -2.986 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.479 -4.142 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.936 -6.510 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.332 -6.646 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.559 -7.138 2.137 1.00 0.00 H new ATOM 823 N ILE A 56 -2.370 -2.537 1.929 1.00 0.00 N ATOM 824 CA ILE A 56 -2.083 -1.203 2.442 1.00 0.00 C ATOM 825 C ILE A 56 -3.221 -0.238 2.129 1.00 0.00 C ATOM 826 O ILE A 56 -3.517 0.034 0.965 1.00 0.00 O ATOM 827 CB ILE A 56 -0.774 -0.644 1.853 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.393 -1.583 2.166 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.501 0.749 2.399 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.596 -1.822 3.646 1.00 0.00 C ATOM 0 H ILE A 56 -2.261 -2.634 0.920 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.975 -1.296 3.523 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.880 -0.575 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.222 -2.539 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.308 -1.166 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.427 1.131 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.323 1.413 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.411 0.703 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.439 -2.497 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.799 -0.873 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.304 -2.268 4.069 1.00 0.00 H new ATOM 842 N PHE A 57 -3.855 0.280 3.176 1.00 0.00 N ATOM 843 CA PHE A 57 -4.960 1.217 3.013 1.00 0.00 C ATOM 844 C PHE A 57 -4.451 2.655 2.956 1.00 0.00 C ATOM 845 O PHE A 57 -3.419 2.984 3.541 1.00 0.00 O ATOM 846 CB PHE A 57 -5.960 1.064 4.162 1.00 0.00 C ATOM 847 CG PHE A 57 -6.821 -0.161 4.047 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.249 -1.417 3.919 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.203 -0.057 4.068 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.040 -2.545 3.813 1.00 0.00 C ATOM 851 CE2 PHE A 57 -8.998 -1.183 3.963 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.416 -2.428 3.836 1.00 0.00 C ATOM 0 H PHE A 57 -3.622 0.067 4.146 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.460 0.989 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.415 1.028 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.599 1.946 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.174 -1.515 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.664 0.915 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.582 -3.518 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.074 -1.089 3.980 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.035 -3.309 3.755 1.00 0.00 H new ATOM 862 N LYS A 58 -5.182 3.507 2.246 1.00 0.00 N ATOM 863 CA LYS A 58 -4.807 4.909 2.111 1.00 0.00 C ATOM 864 C LYS A 58 -5.377 5.738 3.258 1.00 0.00 C ATOM 865 O LYS A 58 -6.210 5.259 4.028 1.00 0.00 O ATOM 866 CB LYS A 58 -5.301 5.464 0.773 1.00 0.00 C ATOM 867 CG LYS A 58 -4.357 5.190 -0.385 1.00 0.00 C ATOM 868 CD LYS A 58 -5.109 5.055 -1.698 1.00 0.00 C ATOM 869 CE LYS A 58 -6.087 6.203 -1.900 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.860 6.056 -3.165 1.00 0.00 N ATOM 0 H LYS A 58 -6.038 3.251 1.755 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.719 4.973 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.275 5.031 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.445 6.540 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.630 5.999 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.797 4.276 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.399 5.031 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.649 4.108 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.776 6.246 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.542 7.147 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.628 6.841 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.615 5.153 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.878 6.072 -2.953 1.00 0.00 H new ATOM 884 N SER A 59 -4.923 6.983 3.365 1.00 0.00 N ATOM 885 CA SER A 59 -5.386 7.877 4.420 1.00 0.00 C ATOM 886 C SER A 59 -6.853 8.243 4.216 1.00 0.00 C ATOM 887 O SER A 59 -7.498 8.790 5.111 1.00 0.00 O ATOM 888 CB SER A 59 -4.532 9.146 4.453 1.00 0.00 C ATOM 889 OG SER A 59 -5.069 10.098 5.356 1.00 0.00 O ATOM 0 H SER A 59 -4.235 7.395 2.734 1.00 0.00 H new ATOM 0 HA SER A 59 -5.288 7.357 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.513 8.895 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.478 9.578 3.454 1.00 0.00 H new ATOM 0 HG SER A 59 -6.026 9.927 5.481 1.00 0.00 H new ATOM 895 N ASP A 60 -7.374 7.937 3.033 1.00 0.00 N ATOM 896 CA ASP A 60 -8.765 8.232 2.711 1.00 0.00 C ATOM 897 C ASP A 60 -9.632 6.984 2.850 1.00 0.00 C ATOM 898 O ASP A 60 -10.738 6.922 2.314 1.00 0.00 O ATOM 899 CB ASP A 60 -8.875 8.788 1.290 1.00 0.00 C ATOM 900 CG ASP A 60 -8.148 10.108 1.127 1.00 0.00 C ATOM 901 OD1 ASP A 60 -8.732 11.155 1.479 1.00 0.00 O ATOM 902 OD2 ASP A 60 -6.994 10.095 0.650 1.00 0.00 O ATOM 0 H ASP A 60 -6.854 7.485 2.281 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.124 8.982 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.467 8.062 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.926 8.922 1.036 1.00 0.00 H new ATOM 907 N ARG A 61 -9.121 5.993 3.573 1.00 0.00 N ATOM 908 CA ARG A 61 -9.847 4.746 3.780 1.00 0.00 C ATOM 909 C ARG A 61 -10.078 4.024 2.456 1.00 0.00 C ATOM 910 O ARG A 61 -11.180 3.550 2.181 1.00 0.00 O ATOM 911 CB ARG A 61 -11.187 5.019 4.465 1.00 0.00 C ATOM 912 CG ARG A 61 -11.101 5.053 5.982 1.00 0.00 C ATOM 913 CD ARG A 61 -12.405 4.609 6.625 1.00 0.00 C ATOM 914 NE ARG A 61 -12.461 4.954 8.043 1.00 0.00 N ATOM 915 CZ ARG A 61 -11.840 4.263 8.992 1.00 0.00 C ATOM 916 NH1 ARG A 61 -11.118 3.196 8.676 1.00 0.00 N ATOM 917 NH2 ARG A 61 -11.939 4.639 10.261 1.00 0.00 N ATOM 0 H ARG A 61 -8.207 6.029 4.025 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.242 4.106 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.579 5.972 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.901 4.251 4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.291 4.405 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.858 6.063 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.242 5.075 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.518 3.531 6.509 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.007 5.770 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.039 2.904 7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.642 2.667 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.492 5.459 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.462 4.108 10.989 1.00 0.00 H new ATOM 931 N GLN A 62 -9.032 3.946 1.640 1.00 0.00 N ATOM 932 CA GLN A 62 -9.122 3.284 0.344 1.00 0.00 C ATOM 933 C GLN A 62 -7.930 2.359 0.121 1.00 0.00 C ATOM 934 O GLN A 62 -6.784 2.807 0.079 1.00 0.00 O ATOM 935 CB GLN A 62 -9.196 4.320 -0.778 1.00 0.00 C ATOM 936 CG GLN A 62 -10.615 4.740 -1.127 1.00 0.00 C ATOM 937 CD GLN A 62 -10.662 6.008 -1.956 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.952 5.971 -3.152 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.376 7.140 -1.323 1.00 0.00 N ATOM 0 H GLN A 62 -8.113 4.333 1.853 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.031 2.683 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.627 5.202 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.717 3.913 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.104 3.934 -1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.182 4.890 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.141 7.124 -0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.391 8.025 -1.829 1.00 0.00 H new ATOM 948 N ALA A 63 -8.207 1.067 -0.020 1.00 0.00 N ATOM 949 CA ALA A 63 -7.158 0.080 -0.240 1.00 0.00 C ATOM 950 C ALA A 63 -6.282 0.465 -1.428 1.00 0.00 C ATOM 951 O ALA A 63 -6.630 0.203 -2.579 1.00 0.00 O ATOM 952 CB ALA A 63 -7.766 -1.298 -0.456 1.00 0.00 C ATOM 0 H ALA A 63 -9.150 0.680 0.014 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.528 0.052 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.971 -2.025 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.343 -1.583 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.420 -1.274 -1.327 1.00 0.00 H new ATOM 958 N ALA A 64 -5.144 1.090 -1.140 1.00 0.00 N ATOM 959 CA ALA A 64 -4.218 1.510 -2.185 1.00 0.00 C ATOM 960 C ALA A 64 -3.694 0.311 -2.968 1.00 0.00 C ATOM 961 O ALA A 64 -3.439 0.405 -4.168 1.00 0.00 O ATOM 962 CB ALA A 64 -3.063 2.295 -1.581 1.00 0.00 C ATOM 0 H ALA A 64 -4.842 1.316 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.758 2.155 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.379 2.603 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.450 3.178 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.531 1.668 -0.865 1.00 0.00 H new ATOM 968 N GLY A 65 -3.535 -0.816 -2.281 1.00 0.00 N ATOM 969 CA GLY A 65 -3.041 -2.016 -2.930 1.00 0.00 C ATOM 970 C GLY A 65 -2.267 -2.910 -1.982 1.00 0.00 C ATOM 971 O GLY A 65 -2.003 -2.536 -0.839 1.00 0.00 O ATOM 0 H GLY A 65 -3.739 -0.919 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.881 -2.573 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.400 -1.736 -3.766 1.00 0.00 H new ATOM 975 N LYS A 66 -1.902 -4.097 -2.455 1.00 0.00 N ATOM 976 CA LYS A 66 -1.153 -5.049 -1.642 1.00 0.00 C ATOM 977 C LYS A 66 0.349 -4.857 -1.825 1.00 0.00 C ATOM 978 O LYS A 66 0.813 -4.520 -2.915 1.00 0.00 O ATOM 979 CB LYS A 66 -1.544 -6.482 -2.010 1.00 0.00 C ATOM 980 CG LYS A 66 -2.707 -7.023 -1.197 1.00 0.00 C ATOM 981 CD LYS A 66 -2.989 -8.479 -1.527 1.00 0.00 C ATOM 982 CE LYS A 66 -4.326 -8.931 -0.961 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.353 -10.397 -0.701 1.00 0.00 N ATOM 0 H LYS A 66 -2.113 -4.423 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.399 -4.869 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.803 -6.519 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.681 -7.132 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.485 -6.926 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.598 -6.426 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.986 -8.615 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.192 -9.105 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.528 -8.394 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.122 -8.672 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.279 -10.781 -0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.606 -10.862 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.192 -10.573 0.311 1.00 0.00 H new ATOM 997 N ILE A 67 1.103 -5.074 -0.753 1.00 0.00 N ATOM 998 CA ILE A 67 2.552 -4.927 -0.797 1.00 0.00 C ATOM 999 C ILE A 67 3.149 -5.710 -1.961 1.00 0.00 C ATOM 1000 O ILE A 67 2.899 -6.906 -2.112 1.00 0.00 O ATOM 1001 CB ILE A 67 3.206 -5.401 0.515 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.029 -4.346 1.609 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.681 -5.700 0.293 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.945 -4.929 3.002 1.00 0.00 C ATOM 0 H ILE A 67 0.734 -5.352 0.156 1.00 0.00 H new ATOM 0 HA ILE A 67 2.757 -3.865 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 67 2.714 -6.318 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.864 -3.646 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.123 -3.774 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.129 -6.034 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.784 -6.483 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.187 -4.798 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.820 -4.124 3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.093 -5.607 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.861 -5.477 3.223 1.00 0.00 H new ATOM 1016 N PHE A 68 3.941 -5.028 -2.782 1.00 0.00 N ATOM 1017 CA PHE A 68 4.575 -5.660 -3.933 1.00 0.00 C ATOM 1018 C PHE A 68 5.965 -6.176 -3.573 1.00 0.00 C ATOM 1019 O PHE A 68 6.467 -7.118 -4.187 1.00 0.00 O ATOM 1020 CB PHE A 68 4.672 -4.670 -5.096 1.00 0.00 C ATOM 1021 CG PHE A 68 5.593 -5.122 -6.193 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.256 -6.197 -7.000 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.796 -4.472 -6.417 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.102 -6.615 -8.009 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.646 -4.886 -7.426 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.298 -5.958 -8.223 1.00 0.00 C ATOM 0 H PHE A 68 4.159 -4.038 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 68 3.959 -6.507 -4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.677 -4.511 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.017 -3.708 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.322 -6.714 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.073 -3.633 -5.797 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.828 -7.455 -8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.581 -4.371 -7.590 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.960 -6.282 -9.012 1.00 0.00 H new ATOM 1036 N GLU A 69 6.582 -5.552 -2.574 1.00 0.00 N ATOM 1037 CA GLU A 69 7.914 -5.948 -2.133 1.00 0.00 C ATOM 1038 C GLU A 69 8.330 -5.167 -0.890 1.00 0.00 C ATOM 1039 O GLU A 69 7.903 -4.030 -0.687 1.00 0.00 O ATOM 1040 CB GLU A 69 8.933 -5.725 -3.253 1.00 0.00 C ATOM 1041 CG GLU A 69 10.376 -5.867 -2.800 1.00 0.00 C ATOM 1042 CD GLU A 69 11.290 -6.356 -3.906 1.00 0.00 C ATOM 1043 OE1 GLU A 69 10.774 -6.910 -4.900 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.520 -6.186 -3.779 1.00 0.00 O ATOM 0 H GLU A 69 6.181 -4.771 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 69 7.886 -7.008 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.741 -6.438 -4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.789 -4.729 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.735 -4.904 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.423 -6.562 -1.962 1.00 0.00 H new ATOM 1051 N ILE A 70 9.165 -5.786 -0.061 1.00 0.00 N ATOM 1052 CA ILE A 70 9.638 -5.149 1.161 1.00 0.00 C ATOM 1053 C ILE A 70 11.158 -5.225 1.267 1.00 0.00 C ATOM 1054 O ILE A 70 11.752 -6.287 1.084 1.00 0.00 O ATOM 1055 CB ILE A 70 9.016 -5.798 2.411 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.489 -5.791 2.310 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.472 -5.072 3.668 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.805 -6.541 3.431 1.00 0.00 C ATOM 0 H ILE A 70 9.527 -6.727 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 70 9.330 -4.105 1.112 1.00 0.00 H new ATOM 0 HB ILE A 70 9.353 -6.833 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.138 -4.759 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.194 -6.230 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.024 -5.543 4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.558 -5.124 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.161 -4.028 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.725 -6.494 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.127 -7.582 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.070 -6.088 4.386 1.00 0.00 H new ATOM 1070 N PHE A 71 11.782 -4.089 1.564 1.00 0.00 N ATOM 1071 CA PHE A 71 13.233 -4.026 1.695 1.00 0.00 C ATOM 1072 C PHE A 71 13.635 -3.104 2.842 1.00 0.00 C ATOM 1073 O PHE A 71 12.844 -2.279 3.297 1.00 0.00 O ATOM 1074 CB PHE A 71 13.863 -3.540 0.389 1.00 0.00 C ATOM 1075 CG PHE A 71 13.324 -2.220 -0.082 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.835 -1.031 0.413 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.305 -2.167 -1.020 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.341 0.186 -0.019 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.807 -0.954 -1.455 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.325 0.224 -0.953 1.00 0.00 C ATOM 0 H PHE A 71 11.305 -3.200 1.718 1.00 0.00 H new ATOM 0 HA PHE A 71 13.598 -5.029 1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.941 -3.456 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.697 -4.288 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.629 -1.055 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.895 -3.085 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.749 1.106 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.013 -0.927 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.936 1.173 -1.291 1.00 0.00 H new ATOM 1090 N GLY A 72 14.873 -3.250 3.305 1.00 0.00 N ATOM 1091 CA GLY A 72 15.360 -2.425 4.394 1.00 0.00 C ATOM 1092 C GLY A 72 15.554 -3.211 5.676 1.00 0.00 C ATOM 1093 O GLY A 72 15.538 -4.442 5.682 1.00 0.00 O ATOM 0 H GLY A 72 15.547 -3.925 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.307 -1.969 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.656 -1.612 4.573 1.00 0.00 H new ATOM 1097 N PRO A 73 15.746 -2.493 6.792 1.00 0.00 N ATOM 1098 CA PRO A 73 15.949 -3.112 8.106 1.00 0.00 C ATOM 1099 C PRO A 73 14.684 -3.779 8.634 1.00 0.00 C ATOM 1100 O PRO A 73 13.741 -4.028 7.883 1.00 0.00 O ATOM 1101 CB PRO A 73 16.342 -1.930 8.997 1.00 0.00 C ATOM 1102 CG PRO A 73 15.739 -0.740 8.335 1.00 0.00 C ATOM 1103 CD PRO A 73 15.777 -1.023 6.859 1.00 0.00 C ATOM 0 HA PRO A 73 16.696 -3.905 8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.961 -2.055 10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.425 -1.834 9.073 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.716 -0.581 8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.299 0.164 8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.926 -0.579 6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.677 -0.619 6.395 1.00 0.00 H new ATOM 1111 N VAL A 74 14.670 -4.066 9.932 1.00 0.00 N ATOM 1112 CA VAL A 74 13.519 -4.704 10.561 1.00 0.00 C ATOM 1113 C VAL A 74 12.735 -3.709 11.409 1.00 0.00 C ATOM 1114 O VAL A 74 11.613 -3.986 11.831 1.00 0.00 O ATOM 1115 CB VAL A 74 13.949 -5.888 11.447 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.703 -5.393 12.672 1.00 0.00 C ATOM 1117 CG2 VAL A 74 12.739 -6.716 11.853 1.00 0.00 C ATOM 0 H VAL A 74 15.442 -3.867 10.568 1.00 0.00 H new ATOM 0 HA VAL A 74 12.883 -5.073 9.757 1.00 0.00 H new ATOM 0 HB VAL A 74 14.620 -6.525 10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 74 14.999 -6.244 13.286 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.592 -4.847 12.356 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.059 -4.733 13.253 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.061 -7.548 12.479 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.041 -6.091 12.411 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.246 -7.102 10.961 1.00 0.00 H new ATOM 1127 N ALA A 75 13.333 -2.547 11.653 1.00 0.00 N ATOM 1128 CA ALA A 75 12.689 -1.509 12.448 1.00 0.00 C ATOM 1129 C ALA A 75 12.272 -0.330 11.575 1.00 0.00 C ATOM 1130 O ALA A 75 11.293 0.358 11.870 1.00 0.00 O ATOM 1131 CB ALA A 75 13.617 -1.043 13.559 1.00 0.00 C ATOM 0 H ALA A 75 14.262 -2.301 11.311 1.00 0.00 H new ATOM 0 HA ALA A 75 11.790 -1.933 12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.123 -0.268 14.145 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.862 -1.885 14.206 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.532 -0.641 13.124 1.00 0.00 H new ATOM 1137 N HIS A 76 13.020 -0.100 10.501 1.00 0.00 N ATOM 1138 CA HIS A 76 12.728 0.998 9.586 1.00 0.00 C ATOM 1139 C HIS A 76 12.729 0.513 8.139 1.00 0.00 C ATOM 1140 O HIS A 76 13.360 1.102 7.262 1.00 0.00 O ATOM 1141 CB HIS A 76 13.750 2.122 9.760 1.00 0.00 C ATOM 1142 CG HIS A 76 14.187 2.319 11.179 1.00 0.00 C ATOM 1143 ND1 HIS A 76 13.325 2.698 12.186 1.00 0.00 N ATOM 1144 CD2 HIS A 76 15.403 2.185 11.757 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.993 2.791 13.323 1.00 0.00 C ATOM 1146 NE2 HIS A 76 15.256 2.485 13.089 1.00 0.00 N ATOM 0 H HIS A 76 13.833 -0.659 10.243 1.00 0.00 H new ATOM 0 HA HIS A 76 11.735 1.381 9.823 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.624 1.906 9.146 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.321 3.053 9.388 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.319 1.896 11.263 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.577 3.070 14.280 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.002 2.473 13.785 1.00 0.00 H new ATOM 1154 N PRO A 77 12.005 -0.587 7.882 1.00 0.00 N ATOM 1155 CA PRO A 77 11.907 -1.175 6.543 1.00 0.00 C ATOM 1156 C PRO A 77 11.102 -0.303 5.585 1.00 0.00 C ATOM 1157 O PRO A 77 10.610 0.761 5.962 1.00 0.00 O ATOM 1158 CB PRO A 77 11.187 -2.503 6.791 1.00 0.00 C ATOM 1159 CG PRO A 77 10.408 -2.284 8.042 1.00 0.00 C ATOM 1160 CD PRO A 77 11.227 -1.341 8.880 1.00 0.00 C ATOM 0 HA PRO A 77 12.884 -1.286 6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.533 -2.761 5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.896 -3.323 6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.428 -1.860 7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.238 -3.225 8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.596 -0.684 9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.875 -1.878 9.573 1.00 0.00 H new ATOM 1168 N PHE A 78 10.972 -0.761 4.344 1.00 0.00 N ATOM 1169 CA PHE A 78 10.227 -0.022 3.332 1.00 0.00 C ATOM 1170 C PHE A 78 9.302 -0.951 2.551 1.00 0.00 C ATOM 1171 O PHE A 78 9.735 -1.977 2.024 1.00 0.00 O ATOM 1172 CB PHE A 78 11.189 0.682 2.373 1.00 0.00 C ATOM 1173 CG PHE A 78 12.301 1.414 3.069 1.00 0.00 C ATOM 1174 CD1 PHE A 78 12.135 2.728 3.476 1.00 0.00 C ATOM 1175 CD2 PHE A 78 13.511 0.787 3.317 1.00 0.00 C ATOM 1176 CE1 PHE A 78 13.157 3.403 4.116 1.00 0.00 C ATOM 1177 CE2 PHE A 78 14.537 1.457 3.957 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.359 2.766 4.358 1.00 0.00 C ATOM 0 H PHE A 78 11.373 -1.640 4.016 1.00 0.00 H new ATOM 0 HA PHE A 78 9.618 0.726 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.619 -0.056 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.627 1.388 1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.197 3.230 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 78 13.655 -0.237 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.016 4.428 4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.476 0.957 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.158 3.291 4.860 1.00 0.00 H new ATOM 1188 N TYR A 79 8.027 -0.585 2.480 1.00 0.00 N ATOM 1189 CA TYR A 79 7.040 -1.386 1.767 1.00 0.00 C ATOM 1190 C TYR A 79 6.751 -0.795 0.390 1.00 0.00 C ATOM 1191 O TYR A 79 6.590 0.416 0.242 1.00 0.00 O ATOM 1192 CB TYR A 79 5.745 -1.478 2.576 1.00 0.00 C ATOM 1193 CG TYR A 79 5.945 -2.004 3.980 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.294 -1.152 5.020 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.782 -3.355 4.265 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.478 -1.629 6.303 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.963 -3.840 5.546 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.311 -2.974 6.561 1.00 0.00 C ATOM 1199 OH TYR A 79 6.492 -3.453 7.839 1.00 0.00 O ATOM 0 H TYR A 79 7.653 0.262 2.908 1.00 0.00 H new ATOM 0 HA TYR A 79 7.450 -2.387 1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.288 -0.490 2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.043 -2.126 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.424 -0.098 4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.510 -4.036 3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.751 -0.953 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.833 -4.892 5.751 1.00 0.00 H new ATOM 0 HH TYR A 79 6.335 -4.420 7.851 1.00 0.00 H new ATOM 1209 N VAL A 80 6.686 -1.661 -0.616 1.00 0.00 N ATOM 1210 CA VAL A 80 6.415 -1.228 -1.982 1.00 0.00 C ATOM 1211 C VAL A 80 4.970 -1.518 -2.374 1.00 0.00 C ATOM 1212 O VAL A 80 4.357 -2.461 -1.872 1.00 0.00 O ATOM 1213 CB VAL A 80 7.356 -1.918 -2.987 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.179 -1.326 -4.377 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.802 -1.801 -2.529 1.00 0.00 C ATOM 0 H VAL A 80 6.817 -2.667 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 80 6.588 -0.152 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 80 7.098 -2.976 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.852 -1.826 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.149 -1.466 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.409 -0.261 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.453 -2.294 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.076 -0.749 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.915 -2.276 -1.555 1.00 0.00 H new ATOM 1225 N LEU A 81 4.432 -0.702 -3.273 1.00 0.00 N ATOM 1226 CA LEU A 81 3.059 -0.870 -3.734 1.00 0.00 C ATOM 1227 C LEU A 81 3.017 -1.140 -5.235 1.00 0.00 C ATOM 1228 O LEU A 81 3.748 -0.520 -6.008 1.00 0.00 O ATOM 1229 CB LEU A 81 2.233 0.374 -3.405 1.00 0.00 C ATOM 1230 CG LEU A 81 1.637 0.432 -1.998 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.607 1.546 -1.900 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.015 -0.906 -1.627 1.00 0.00 C ATOM 0 H LEU A 81 4.926 0.083 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 81 2.632 -1.729 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.863 1.252 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.419 0.446 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 81 2.440 0.645 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.194 1.572 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.082 2.501 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.195 1.364 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.596 -0.846 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.224 -1.149 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.779 -1.683 -1.656 1.00 0.00 H new ATOM 1244 N ARG A 82 2.155 -2.067 -5.641 1.00 0.00 N ATOM 1245 CA ARG A 82 2.018 -2.417 -7.049 1.00 0.00 C ATOM 1246 C ARG A 82 1.109 -1.426 -7.770 1.00 0.00 C ATOM 1247 O ARG A 82 0.130 -0.939 -7.203 1.00 0.00 O ATOM 1248 CB ARG A 82 1.459 -3.834 -7.192 1.00 0.00 C ATOM 1249 CG ARG A 82 1.069 -4.195 -8.616 1.00 0.00 C ATOM 1250 CD ARG A 82 1.240 -5.682 -8.881 1.00 0.00 C ATOM 1251 NE ARG A 82 0.730 -6.067 -10.194 1.00 0.00 N ATOM 1252 CZ ARG A 82 1.312 -5.724 -11.338 1.00 0.00 C ATOM 1253 NH1 ARG A 82 2.419 -4.995 -11.329 1.00 0.00 N ATOM 1254 NH2 ARG A 82 0.787 -6.113 -12.493 1.00 0.00 N ATOM 0 H ARG A 82 1.542 -2.589 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 82 3.007 -2.375 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.203 -4.547 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.586 -3.938 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.032 -3.910 -8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.681 -3.627 -9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.296 -5.943 -8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.720 -6.250 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.120 -6.630 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.826 -4.696 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.864 -4.733 -12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.064 -6.676 -12.503 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.234 -5.849 -13.371 1.00 0.00 H new ATOM 1268 N PHE A 83 1.440 -1.131 -9.023 1.00 0.00 N ATOM 1269 CA PHE A 83 0.655 -0.196 -9.821 1.00 0.00 C ATOM 1270 C PHE A 83 1.031 -0.292 -11.297 1.00 0.00 C ATOM 1271 O PHE A 83 2.209 -0.267 -11.651 1.00 0.00 O ATOM 1272 CB PHE A 83 0.864 1.235 -9.321 1.00 0.00 C ATOM 1273 CG PHE A 83 0.136 1.536 -8.043 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.249 1.577 -8.011 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.836 1.777 -6.872 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.922 1.853 -6.836 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.169 2.054 -5.694 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.212 2.093 -5.676 1.00 0.00 C ATOM 0 H PHE A 83 2.246 -1.526 -9.508 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.397 -0.460 -9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.930 1.407 -9.172 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.533 1.932 -10.091 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.809 1.391 -8.915 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.916 1.748 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.002 1.881 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.727 2.240 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.735 2.311 -4.757 1.00 0.00 H new ATOM 1288 N ASN A 84 0.020 -0.402 -12.153 1.00 0.00 N ATOM 1289 CA ASN A 84 0.244 -0.502 -13.590 1.00 0.00 C ATOM 1290 C ASN A 84 1.315 0.485 -14.045 1.00 0.00 C ATOM 1291 O ASN A 84 2.294 0.103 -14.686 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.059 -0.244 -14.350 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.849 -1.516 -14.592 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.414 -2.399 -15.331 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.017 -1.614 -13.968 1.00 0.00 N ATOM 0 H ASN A 84 -0.962 -0.424 -11.876 1.00 0.00 H new ATOM 0 HA ASN A 84 0.590 -1.512 -13.808 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.672 0.459 -13.786 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.831 0.227 -15.306 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.593 -2.446 -14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.338 -0.857 -13.365 1.00 0.00 H new ATOM 1302 N SER A 85 1.121 1.756 -13.708 1.00 0.00 N ATOM 1303 CA SER A 85 2.068 2.799 -14.083 1.00 0.00 C ATOM 1304 C SER A 85 1.911 4.024 -13.187 1.00 0.00 C ATOM 1305 O SER A 85 1.075 4.043 -12.284 1.00 0.00 O ATOM 1306 CB SER A 85 1.868 3.196 -15.547 1.00 0.00 C ATOM 1307 OG SER A 85 0.675 3.941 -15.716 1.00 0.00 O ATOM 0 H SER A 85 0.317 2.088 -13.176 1.00 0.00 H new ATOM 0 HA SER A 85 3.076 2.403 -13.955 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.720 3.786 -15.886 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.832 2.301 -16.168 1.00 0.00 H new ATOM 0 HG SER A 85 0.572 4.184 -16.660 1.00 0.00 H new ATOM 1313 N SER A 86 2.721 5.046 -13.445 1.00 0.00 N ATOM 1314 CA SER A 86 2.676 6.274 -12.660 1.00 0.00 C ATOM 1315 C SER A 86 1.248 6.802 -12.560 1.00 0.00 C ATOM 1316 O SER A 86 0.850 7.356 -11.535 1.00 0.00 O ATOM 1317 CB SER A 86 3.583 7.337 -13.284 1.00 0.00 C ATOM 1318 OG SER A 86 3.502 8.558 -12.570 1.00 0.00 O ATOM 0 H SER A 86 3.416 5.048 -14.191 1.00 0.00 H new ATOM 0 HA SER A 86 3.032 6.047 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.614 6.983 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.297 7.500 -14.323 1.00 0.00 H new ATOM 0 HG SER A 86 4.091 9.221 -12.987 1.00 0.00 H new ATOM 1324 N ASP A 87 0.483 6.628 -13.632 1.00 0.00 N ATOM 1325 CA ASP A 87 -0.901 7.086 -13.666 1.00 0.00 C ATOM 1326 C ASP A 87 -1.714 6.441 -12.548 1.00 0.00 C ATOM 1327 O ASP A 87 -2.325 7.133 -11.732 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.533 6.766 -15.022 1.00 0.00 C ATOM 1329 CG ASP A 87 -3.029 6.541 -14.925 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -3.775 7.539 -14.846 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -3.453 5.366 -14.928 1.00 0.00 O ATOM 0 H ASP A 87 0.798 6.173 -14.489 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.904 8.166 -13.517 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.336 7.585 -15.714 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.061 5.876 -15.439 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.719 5.112 -12.516 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.458 4.374 -11.498 1.00 0.00 C ATOM 1338 C HIS A 88 -2.269 5.008 -10.123 1.00 0.00 C ATOM 1339 O HIS A 88 -3.146 4.920 -9.263 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.004 2.915 -11.467 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.058 1.970 -10.976 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.154 0.662 -11.401 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.065 2.150 -10.089 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.175 0.079 -10.799 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.744 0.960 -9.997 1.00 0.00 N ATOM 0 H HIS A 88 -1.220 4.524 -13.183 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.517 4.412 -11.753 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.699 2.617 -12.470 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.125 2.830 -10.828 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.292 3.060 -9.554 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.491 -0.944 -10.939 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.556 0.785 -9.405 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.120 5.645 -9.924 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.818 6.293 -8.654 1.00 0.00 C ATOM 1355 C ILE A 89 -1.494 7.656 -8.557 1.00 0.00 C ATOM 1356 O ILE A 89 -2.244 7.923 -7.619 1.00 0.00 O ATOM 1357 CB ILE A 89 0.700 6.470 -8.460 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.379 5.108 -8.304 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.980 7.350 -7.251 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.430 4.308 -9.586 1.00 0.00 C ATOM 0 H ILE A 89 -0.384 5.726 -10.625 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.204 5.643 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 89 1.110 6.959 -9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.395 5.257 -7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.849 4.531 -7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.057 7.466 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.525 8.329 -7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.560 6.887 -6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.925 3.355 -9.400 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.416 4.127 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.986 4.865 -10.340 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.224 8.515 -9.536 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.808 9.851 -9.561 1.00 0.00 C ATOM 1374 C GLU A 90 -3.292 9.803 -9.209 1.00 0.00 C ATOM 1375 O GLU A 90 -3.798 10.661 -8.486 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.620 10.488 -10.939 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.241 11.093 -11.147 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.243 12.210 -12.173 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.884 12.041 -13.231 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.397 13.251 -11.917 1.00 0.00 O ATOM 0 H GLU A 90 -0.606 8.310 -10.321 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.295 10.458 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.796 9.734 -11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.373 11.264 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.130 11.478 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.450 10.313 -11.466 1.00 0.00 H new ATOM 1387 N SER A 91 -3.985 8.793 -9.727 1.00 0.00 N ATOM 1388 CA SER A 91 -5.412 8.635 -9.472 1.00 0.00 C ATOM 1389 C SER A 91 -5.675 8.390 -7.989 1.00 0.00 C ATOM 1390 O SER A 91 -6.512 9.053 -7.377 1.00 0.00 O ATOM 1391 CB SER A 91 -5.973 7.476 -10.299 1.00 0.00 C ATOM 1392 OG SER A 91 -7.340 7.686 -10.608 1.00 0.00 O ATOM 0 H SER A 91 -3.581 8.072 -10.325 1.00 0.00 H new ATOM 0 HA SER A 91 -5.913 9.558 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.400 7.372 -11.221 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.861 6.543 -9.747 1.00 0.00 H new ATOM 0 HG SER A 91 -7.675 6.933 -11.138 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.953 7.433 -7.417 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.105 7.099 -6.006 1.00 0.00 C ATOM 1400 C LYS A 92 -4.725 8.283 -5.123 1.00 0.00 C ATOM 1401 O LYS A 92 -5.154 8.376 -3.973 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.241 5.887 -5.651 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.529 4.664 -6.504 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.828 3.991 -6.094 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.968 2.617 -6.730 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.393 2.194 -6.828 1.00 0.00 N ATOM 0 H LYS A 92 -4.256 6.874 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.152 6.856 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.190 6.156 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.398 5.634 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.585 4.956 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.706 3.955 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.863 3.896 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.671 4.616 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.524 2.630 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.412 1.886 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.446 1.253 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.810 2.156 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.919 2.877 -7.410 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.918 9.188 -5.669 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.496 10.355 -4.916 1.00 0.00 C ATOM 1422 C GLY A 93 -2.236 10.102 -4.112 1.00 0.00 C ATOM 1423 O GLY A 93 -1.750 10.991 -3.412 1.00 0.00 O ATOM 0 H GLY A 93 -3.549 9.134 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.325 11.184 -5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.298 10.659 -4.243 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.709 8.887 -4.210 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.499 8.519 -3.484 1.00 0.00 C ATOM 1429 C ILE A 94 0.702 9.322 -3.976 1.00 0.00 C ATOM 1430 O ILE A 94 0.955 9.408 -5.177 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.191 7.017 -3.627 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.436 6.187 -3.309 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.962 6.624 -2.716 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.481 4.861 -4.036 1.00 0.00 C ATOM 0 H ILE A 94 -2.100 8.140 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.680 8.746 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 94 0.102 6.817 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.477 6.005 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.323 6.764 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.168 5.560 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.850 7.196 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.696 6.835 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.391 4.327 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.472 5.035 -5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.612 4.264 -3.758 1.00 0.00 H new ATOM 1446 N LYS A 95 1.439 9.907 -3.038 1.00 0.00 N ATOM 1447 CA LYS A 95 2.615 10.700 -3.373 1.00 0.00 C ATOM 1448 C LYS A 95 3.525 10.864 -2.160 1.00 0.00 C ATOM 1449 O LYS A 95 3.199 10.410 -1.063 1.00 0.00 O ATOM 1450 CB LYS A 95 2.196 12.075 -3.899 1.00 0.00 C ATOM 1451 CG LYS A 95 0.994 12.661 -3.179 1.00 0.00 C ATOM 1452 CD LYS A 95 1.405 13.398 -1.915 1.00 0.00 C ATOM 1453 CE LYS A 95 0.413 14.494 -1.561 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.427 15.599 -2.559 1.00 0.00 N ATOM 0 H LYS A 95 1.242 9.847 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 95 3.167 10.173 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.036 12.763 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.969 11.994 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.468 13.345 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.296 11.863 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.478 12.691 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.395 13.833 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.590 14.071 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.649 14.893 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.079 16.473 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.398 15.747 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.187 15.350 -3.361 1.00 0.00 H new ATOM 1468 N ILE A 96 4.665 11.516 -2.365 1.00 0.00 N ATOM 1469 CA ILE A 96 5.619 11.741 -1.286 1.00 0.00 C ATOM 1470 C ILE A 96 4.971 12.488 -0.126 1.00 0.00 C ATOM 1471 O ILE A 96 4.136 13.369 -0.329 1.00 0.00 O ATOM 1472 CB ILE A 96 6.843 12.538 -1.775 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.517 11.814 -2.943 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.829 12.747 -0.636 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.311 10.597 -2.523 1.00 0.00 C ATOM 0 H ILE A 96 4.950 11.897 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 96 5.947 10.759 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 96 6.506 13.515 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.754 11.510 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.179 12.510 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.688 13.312 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.344 13.300 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.162 11.779 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.760 10.135 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.096 10.897 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.649 9.881 -2.035 1.00 0.00 H new ATOM 1487 N LYS A 97 5.364 12.132 1.093 1.00 0.00 N ATOM 1488 CA LYS A 97 4.824 12.770 2.288 1.00 0.00 C ATOM 1489 C LYS A 97 3.350 12.423 2.471 1.00 0.00 C ATOM 1490 O LYS A 97 2.533 13.291 2.778 1.00 0.00 O ATOM 1491 CB LYS A 97 4.995 14.288 2.202 1.00 0.00 C ATOM 1492 CG LYS A 97 6.418 14.724 1.896 1.00 0.00 C ATOM 1493 CD LYS A 97 7.282 14.722 3.146 1.00 0.00 C ATOM 1494 CE LYS A 97 8.694 15.205 2.848 1.00 0.00 C ATOM 1495 NZ LYS A 97 8.772 16.691 2.791 1.00 0.00 N ATOM 0 H LYS A 97 6.055 11.405 1.279 1.00 0.00 H new ATOM 0 HA LYS A 97 5.377 12.397 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.331 14.677 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.682 14.734 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.852 14.057 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.408 15.723 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.830 15.362 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.321 13.715 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.374 14.835 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.028 14.787 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.750 16.980 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.143 17.043 2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.478 17.089 3.706 1.00 0.00 H new ATOM 1509 N GLU A 98 3.018 11.150 2.283 1.00 0.00 N ATOM 1510 CA GLU A 98 1.642 10.690 2.429 1.00 0.00 C ATOM 1511 C GLU A 98 1.559 9.527 3.413 1.00 0.00 C ATOM 1512 O GLU A 98 1.987 8.412 3.113 1.00 0.00 O ATOM 1513 CB GLU A 98 1.076 10.266 1.072 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.434 10.403 0.973 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.049 9.400 0.016 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.422 8.348 -0.225 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -2.158 9.669 -0.491 1.00 0.00 O ATOM 0 H GLU A 98 3.683 10.419 2.029 1.00 0.00 H new ATOM 0 HA GLU A 98 1.049 11.517 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.539 10.868 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.352 9.229 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.873 10.272 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.683 11.412 0.645 1.00 0.00 H new ATOM 1524 N THR A 99 1.004 9.795 4.592 1.00 0.00 N ATOM 1525 CA THR A 99 0.866 8.773 5.621 1.00 0.00 C ATOM 1526 C THR A 99 -0.199 7.750 5.241 1.00 0.00 C ATOM 1527 O THR A 99 -1.334 8.108 4.929 1.00 0.00 O ATOM 1528 CB THR A 99 0.501 9.394 6.983 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.217 10.619 7.171 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.823 8.434 8.119 1.00 0.00 C ATOM 0 H THR A 99 0.643 10.712 4.857 1.00 0.00 H new ATOM 0 HA THR A 99 1.832 8.275 5.703 1.00 0.00 H new ATOM 0 HB THR A 99 -0.570 9.595 6.990 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.978 11.008 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.557 8.894 9.071 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.254 7.513 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.889 8.206 8.112 1.00 0.00 H new ATOM 1538 N MET A 100 0.176 6.475 5.268 1.00 0.00 N ATOM 1539 CA MET A 100 -0.748 5.400 4.928 1.00 0.00 C ATOM 1540 C MET A 100 -1.143 4.608 6.170 1.00 0.00 C ATOM 1541 O MET A 100 -0.589 4.813 7.251 1.00 0.00 O ATOM 1542 CB MET A 100 -0.119 4.466 3.893 1.00 0.00 C ATOM 1543 CG MET A 100 0.436 5.191 2.677 1.00 0.00 C ATOM 1544 SD MET A 100 0.384 4.184 1.183 1.00 0.00 S ATOM 1545 CE MET A 100 -1.109 4.801 0.410 1.00 0.00 C ATOM 0 H MET A 100 1.113 6.162 5.522 1.00 0.00 H new ATOM 0 HA MET A 100 -1.646 5.849 4.504 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.684 3.901 4.366 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.867 3.744 3.565 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.133 6.106 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.466 5.488 2.875 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.193 4.393 -0.597 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.975 4.498 0.998 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.069 5.889 0.358 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.104 3.705 6.010 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.574 2.885 7.120 1.00 0.00 C ATOM 1557 C TYR A 101 -3.002 1.503 6.634 1.00 0.00 C ATOM 1558 O TYR A 101 -3.173 1.280 5.435 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.742 3.572 7.830 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.463 5.011 8.200 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.379 5.996 7.223 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.282 5.386 9.526 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.124 7.312 7.556 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -3.028 6.700 9.868 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.949 7.660 8.880 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.695 8.969 9.216 1.00 0.00 O ATOM 0 H TYR A 101 -2.573 3.522 5.123 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.750 2.764 7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.620 3.535 7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.986 3.014 8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.515 5.728 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.341 4.637 10.302 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.062 8.065 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.892 6.975 10.904 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.599 9.044 10.188 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.174 0.580 7.573 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.582 -0.781 7.242 1.00 0.00 C ATOM 1578 C PHE A 102 -4.715 -1.246 8.153 1.00 0.00 C ATOM 1579 O PHE A 102 -5.095 -0.549 9.094 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.392 -1.736 7.361 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.609 -1.563 8.631 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.230 -1.675 9.864 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.252 -1.288 8.591 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.512 -1.515 11.034 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.472 -1.128 9.758 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.159 -1.243 10.981 1.00 0.00 C ATOM 0 H PHE A 102 -3.037 0.749 8.570 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.941 -0.786 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.753 -2.763 7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.728 -1.584 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.287 -1.890 9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.246 -1.198 7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.009 -1.603 11.989 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.530 -0.913 9.713 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.404 -1.120 11.894 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.250 -2.428 7.865 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.337 -2.987 8.658 1.00 0.00 C ATOM 1598 C ALA A 103 -5.996 -4.392 9.145 1.00 0.00 C ATOM 1599 O ALA A 103 -6.130 -4.698 10.330 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.625 -3.005 7.849 1.00 0.00 C ATOM 0 H ALA A 103 -4.948 -3.016 7.088 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.479 -2.352 9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.429 -3.425 8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.885 -1.988 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.486 -3.615 6.957 1.00 0.00 H new