USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 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 34 THR OG1 : rot 180:sc= 0.0174 USER MOD Set 1.2: A 83 THR OG1 : rot -69:sc= 0.015 USER MOD Single : A 17 ASN : amide:sc= -0.0163! C(o=-0.016!,f=-7.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 66:sc= -1.69 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-1.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 36 HIS : no HE2:sc= -1.48 X(o=-1.5,f=-1.6) USER MOD Single : A 39 SER OG : rot 179:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.138 USER MOD Single : A 51 GLN : amide:sc= 0.459 K(o=0.46,f=-1.8!) USER MOD Single : A 52 TYR OH : rot 130:sc= 0.855 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -114:sc= -0.201 (180deg=-0.483) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.76 X(o=-2.8,f=-2.5) USER MOD Single : A 80 ASN : amide:sc= -0.0443 K(o=-0.044,f=-0.56) USER MOD Single : A 81 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.024) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -1.03 X(o=-1,f=-0.97) USER MOD Single : A 88 GLN : amide:sc=-0.00413 K(o=-0.0041,f=-0.51) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 66:sc= 1.16 USER MOD Single : A 93 TYR OH : rot 180:sc= 0.277 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -4.55! C(o=-4.5!,f=-15!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -8.6! C(o=-8.6!,f=-7.6!) USER MOD Single : A 108 SER OG : rot 140:sc= 1.12 USER MOD Single : A 111 THR OG1 : rot -120:sc= -0.197 USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= -0.431 (180deg=-0.516) USER MOD Single : A 115 THR OG1 : rot -171:sc= 0.659 USER MOD Single : A 116 ASN : amide:sc= -2.42 K(o=-2.4,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.540 -16.303 -6.081 1.00 0.00 N ATOM 174 CA ALA A 15 -4.318 -14.865 -6.001 1.00 0.00 C ATOM 175 C ALA A 15 -3.593 -14.492 -4.712 1.00 0.00 C ATOM 176 O ALA A 15 -3.701 -15.173 -3.692 1.00 0.00 O ATOM 177 CB ALA A 15 -5.641 -14.120 -6.100 1.00 0.00 C ATOM 0 HA ALA A 15 -3.686 -14.573 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.460 -13.047 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.120 -14.353 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.293 -14.425 -5.281 1.00 0.00 H new ATOM 183 N PRO A 16 -2.836 -13.385 -4.757 1.00 0.00 N ATOM 184 CA PRO A 16 -2.079 -12.897 -3.601 1.00 0.00 C ATOM 185 C PRO A 16 -2.985 -12.351 -2.503 1.00 0.00 C ATOM 186 O PRO A 16 -3.853 -11.517 -2.758 1.00 0.00 O ATOM 187 CB PRO A 16 -1.217 -11.777 -4.189 1.00 0.00 C ATOM 188 CG PRO A 16 -1.968 -11.311 -5.388 1.00 0.00 C ATOM 189 CD PRO A 16 -2.662 -12.525 -5.940 1.00 0.00 C ATOM 0 HA PRO A 16 -1.504 -13.692 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.075 -10.969 -3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.226 -12.141 -4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.688 -10.538 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.294 -10.877 -6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.619 -12.269 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.064 -13.015 -6.709 1.00 0.00 H new ATOM 197 N ASN A 17 -2.778 -12.828 -1.279 1.00 0.00 N ATOM 198 CA ASN A 17 -3.577 -12.387 -0.142 1.00 0.00 C ATOM 199 C ASN A 17 -3.580 -10.865 -0.036 1.00 0.00 C ATOM 200 O ASN A 17 -2.541 -10.210 -0.126 1.00 0.00 O ATOM 201 CB ASN A 17 -3.039 -12.999 1.153 1.00 0.00 C ATOM 202 CG ASN A 17 -2.784 -14.488 1.027 1.00 0.00 C ATOM 203 OD1 ASN A 17 -2.431 -14.980 -0.045 1.00 0.00 O ATOM 204 ND2 ASN A 17 -2.963 -15.214 2.125 1.00 0.00 N ATOM 0 H ASN A 17 -2.064 -13.519 -1.050 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.602 -12.724 -0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.112 -12.497 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.752 -12.822 1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.807 -16.222 2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.256 -14.764 2.992 1.00 0.00 H new ATOM 211 N PRO A 18 -4.774 -10.288 0.160 1.00 0.00 N ATOM 212 CA PRO A 18 -4.941 -8.837 0.284 1.00 0.00 C ATOM 213 C PRO A 18 -4.356 -8.294 1.583 1.00 0.00 C ATOM 214 O PRO A 18 -4.685 -8.751 2.678 1.00 0.00 O ATOM 215 CB PRO A 18 -6.461 -8.651 0.263 1.00 0.00 C ATOM 216 CG PRO A 18 -7.007 -9.947 0.755 1.00 0.00 C ATOM 217 CD PRO A 18 -6.054 -11.007 0.277 1.00 0.00 C ATOM 0 HA PRO A 18 -4.421 -8.299 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.768 -7.824 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.819 -8.426 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.082 -9.951 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.010 -10.120 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.987 -11.835 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.367 -11.428 -0.678 1.00 0.00 H new ATOM 225 N PRO A 19 -3.469 -7.296 1.463 1.00 0.00 N ATOM 226 CA PRO A 19 -2.820 -6.669 2.618 1.00 0.00 C ATOM 227 C PRO A 19 -3.792 -5.836 3.447 1.00 0.00 C ATOM 228 O PRO A 19 -4.896 -5.526 3.000 1.00 0.00 O ATOM 229 CB PRO A 19 -1.754 -5.773 1.984 1.00 0.00 C ATOM 230 CG PRO A 19 -2.272 -5.477 0.618 1.00 0.00 C ATOM 231 CD PRO A 19 -3.031 -6.702 0.189 1.00 0.00 C ATOM 0 HA PRO A 19 -2.417 -7.409 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.611 -4.859 2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.788 -6.276 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.919 -4.600 0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.455 -5.263 -0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.878 -6.447 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.401 -7.387 -0.378 1.00 0.00 H new ATOM 239 N SER A 20 -3.374 -5.477 4.656 1.00 0.00 N ATOM 240 CA SER A 20 -4.209 -4.682 5.549 1.00 0.00 C ATOM 241 C SER A 20 -3.494 -3.400 5.965 1.00 0.00 C ATOM 242 O SER A 20 -2.575 -3.427 6.784 1.00 0.00 O ATOM 243 CB SER A 20 -4.584 -5.495 6.790 1.00 0.00 C ATOM 244 OG SER A 20 -5.810 -6.180 6.599 1.00 0.00 O ATOM 0 H SER A 20 -2.462 -5.724 5.040 1.00 0.00 H new ATOM 0 HA SER A 20 -5.118 -4.412 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.794 -6.212 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.664 -4.833 7.652 1.00 0.00 H new ATOM 0 HG SER A 20 -6.027 -6.693 7.405 1.00 0.00 H new ATOM 250 N ILE A 21 -3.922 -2.280 5.394 1.00 0.00 N ATOM 251 CA ILE A 21 -3.324 -0.987 5.705 1.00 0.00 C ATOM 252 C ILE A 21 -3.603 -0.586 7.149 1.00 0.00 C ATOM 253 O ILE A 21 -4.735 -0.259 7.506 1.00 0.00 O ATOM 254 CB ILE A 21 -3.848 0.116 4.767 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.442 -0.178 3.321 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.323 1.476 5.203 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.115 0.723 2.309 1.00 0.00 C ATOM 0 H ILE A 21 -4.681 -2.241 4.713 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.249 -1.094 5.561 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.936 0.133 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.361 -0.073 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.683 -1.215 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.702 2.245 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.657 1.686 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.233 1.472 5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.780 0.458 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.196 0.601 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.854 1.761 2.516 1.00 0.00 H new ATOM 269 N ARG A 22 -2.563 -0.611 7.976 1.00 0.00 N ATOM 270 CA ARG A 22 -2.696 -0.249 9.382 1.00 0.00 C ATOM 271 C ARG A 22 -2.859 1.259 9.542 1.00 0.00 C ATOM 272 O ARG A 22 -1.904 1.966 9.860 1.00 0.00 O ATOM 273 CB ARG A 22 -1.475 -0.727 10.171 1.00 0.00 C ATOM 274 CG ARG A 22 -1.266 -2.231 10.118 1.00 0.00 C ATOM 275 CD ARG A 22 -2.283 -2.966 10.978 1.00 0.00 C ATOM 276 NE ARG A 22 -1.741 -4.205 11.528 1.00 0.00 N ATOM 277 CZ ARG A 22 -0.998 -4.258 12.628 1.00 0.00 C ATOM 278 NH1 ARG A 22 -0.710 -3.147 13.292 1.00 0.00 N ATOM 279 NH2 ARG A 22 -0.541 -5.424 13.066 1.00 0.00 N ATOM 0 H ARG A 22 -1.619 -0.878 7.697 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.588 -0.737 9.774 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.585 -0.231 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.582 -0.420 11.211 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.345 -2.574 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.259 -2.472 10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.604 -2.318 11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.167 -3.190 10.382 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.944 -5.078 11.041 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.059 -2.249 12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.139 -3.191 14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.760 -6.281 12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.029 -5.463 13.911 1.00 0.00 H new ATOM 293 N GLU A 23 -4.077 1.744 9.319 1.00 0.00 N ATOM 294 CA GLU A 23 -4.365 3.169 9.437 1.00 0.00 C ATOM 295 C GLU A 23 -3.921 3.703 10.796 1.00 0.00 C ATOM 296 O GLU A 23 -3.583 4.878 10.932 1.00 0.00 O ATOM 297 CB GLU A 23 -5.860 3.428 9.239 1.00 0.00 C ATOM 298 CG GLU A 23 -6.443 2.726 8.024 1.00 0.00 C ATOM 299 CD GLU A 23 -6.928 1.324 8.338 1.00 0.00 C ATOM 300 OE1 GLU A 23 -7.228 1.051 9.520 1.00 0.00 O ATOM 301 OE2 GLU A 23 -7.008 0.500 7.404 1.00 0.00 O ATOM 0 H GLU A 23 -4.879 1.172 9.056 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.807 3.692 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.398 3.102 10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.025 4.501 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.273 3.314 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.688 2.678 7.239 1.00 0.00 H new ATOM 308 N GLU A 24 -3.925 2.830 11.798 1.00 0.00 N ATOM 309 CA GLU A 24 -3.524 3.214 13.147 1.00 0.00 C ATOM 310 C GLU A 24 -2.039 3.560 13.195 1.00 0.00 C ATOM 311 O GLU A 24 -1.625 4.474 13.910 1.00 0.00 O ATOM 312 CB GLU A 24 -3.828 2.085 14.134 1.00 0.00 C ATOM 313 CG GLU A 24 -3.143 0.773 13.788 1.00 0.00 C ATOM 314 CD GLU A 24 -3.586 -0.369 14.681 1.00 0.00 C ATOM 315 OE1 GLU A 24 -4.805 -0.496 14.923 1.00 0.00 O ATOM 316 OE2 GLU A 24 -2.714 -1.138 15.138 1.00 0.00 O ATOM 0 H GLU A 24 -4.201 1.853 11.702 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.095 4.098 13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.519 2.394 15.133 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.906 1.924 14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.354 0.520 12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.063 0.898 13.872 1.00 0.00 H new ATOM 323 N LEU A 25 -1.241 2.825 12.429 1.00 0.00 N ATOM 324 CA LEU A 25 0.199 3.053 12.383 1.00 0.00 C ATOM 325 C LEU A 25 0.548 4.131 11.362 1.00 0.00 C ATOM 326 O LEU A 25 1.583 4.790 11.469 1.00 0.00 O ATOM 327 CB LEU A 25 0.931 1.754 12.040 1.00 0.00 C ATOM 328 CG LEU A 25 0.521 0.520 12.846 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.269 -0.710 12.356 1.00 0.00 C ATOM 330 CD2 LEU A 25 0.774 0.745 14.330 1.00 0.00 C ATOM 0 H LEU A 25 -1.567 2.066 11.831 1.00 0.00 H new ATOM 0 HA LEU A 25 0.519 3.394 13.368 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.775 1.541 10.982 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.000 1.915 12.179 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.546 0.352 12.701 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.965 -1.578 12.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.038 -0.882 11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.342 -0.553 12.471 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.477 -0.143 14.888 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.834 0.938 14.493 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.192 1.601 14.673 1.00 0.00 H new ATOM 342 N CYS A 26 -0.322 4.306 10.374 1.00 0.00 N ATOM 343 CA CYS A 26 -0.107 5.305 9.333 1.00 0.00 C ATOM 344 C CYS A 26 0.194 6.670 9.944 1.00 0.00 C ATOM 345 O CYS A 26 -0.346 7.027 10.992 1.00 0.00 O ATOM 346 CB CYS A 26 -1.335 5.399 8.426 1.00 0.00 C ATOM 347 SG CYS A 26 -1.412 4.116 7.154 1.00 0.00 S ATOM 0 H CYS A 26 -1.183 3.769 10.272 1.00 0.00 H new ATOM 0 HA CYS A 26 0.752 4.995 8.738 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.233 5.341 9.041 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.343 6.376 7.943 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.565 2.955 7.718 1.00 0.00 H new ATOM 353 N THR A 27 1.062 7.429 9.283 1.00 0.00 N ATOM 354 CA THR A 27 1.438 8.754 9.762 1.00 0.00 C ATOM 355 C THR A 27 1.338 9.790 8.648 1.00 0.00 C ATOM 356 O THR A 27 1.714 9.526 7.506 1.00 0.00 O ATOM 357 CB THR A 27 2.871 8.761 10.327 1.00 0.00 C ATOM 358 OG1 THR A 27 3.800 8.368 9.310 1.00 0.00 O ATOM 359 CG2 THR A 27 2.988 7.821 11.518 1.00 0.00 C ATOM 0 H THR A 27 1.518 7.149 8.415 1.00 0.00 H new ATOM 0 HA THR A 27 0.740 9.012 10.558 1.00 0.00 H new ATOM 0 HB THR A 27 3.102 9.773 10.659 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.709 8.377 9.676 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.009 7.843 11.900 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.300 8.139 12.302 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.739 6.807 11.207 1.00 0.00 H new ATOM 367 N ALA A 28 0.830 10.970 8.988 1.00 0.00 N ATOM 368 CA ALA A 28 0.683 12.047 8.017 1.00 0.00 C ATOM 369 C ALA A 28 1.573 13.232 8.373 1.00 0.00 C ATOM 370 O ALA A 28 1.660 13.628 9.536 1.00 0.00 O ATOM 371 CB ALA A 28 -0.772 12.484 7.929 1.00 0.00 C ATOM 0 H ALA A 28 0.513 11.204 9.929 1.00 0.00 H new ATOM 0 HA ALA A 28 0.997 11.670 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.867 13.289 7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.387 11.639 7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.105 12.837 8.905 1.00 0.00 H new ATOM 377 N SER A 29 2.234 13.794 7.366 1.00 0.00 N ATOM 378 CA SER A 29 3.122 14.932 7.575 1.00 0.00 C ATOM 379 C SER A 29 2.827 16.042 6.571 1.00 0.00 C ATOM 380 O SER A 29 2.124 15.831 5.582 1.00 0.00 O ATOM 381 CB SER A 29 4.583 14.495 7.454 1.00 0.00 C ATOM 382 OG SER A 29 5.015 13.832 8.629 1.00 0.00 O ATOM 0 H SER A 29 2.172 13.480 6.398 1.00 0.00 H new ATOM 0 HA SER A 29 2.948 15.318 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.698 13.833 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.213 15.366 7.272 1.00 0.00 H new ATOM 0 HG SER A 29 5.951 13.561 8.526 1.00 0.00 H new ATOM 388 N HIS A 30 3.370 17.227 6.832 1.00 0.00 N ATOM 389 CA HIS A 30 3.166 18.372 5.951 1.00 0.00 C ATOM 390 C HIS A 30 3.114 17.933 4.491 1.00 0.00 C ATOM 391 O HIS A 30 2.054 17.947 3.866 1.00 0.00 O ATOM 392 CB HIS A 30 4.282 19.399 6.148 1.00 0.00 C ATOM 393 CG HIS A 30 5.586 18.792 6.567 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.893 18.501 7.880 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.664 18.421 5.839 1.00 0.00 C ATOM 396 CE1 HIS A 30 7.104 17.978 7.940 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.594 17.918 6.715 1.00 0.00 N ATOM 0 H HIS A 30 3.954 17.420 7.646 1.00 0.00 H new ATOM 0 HA HIS A 30 2.211 18.830 6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.428 19.948 5.218 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.969 20.124 6.900 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.773 18.505 4.768 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.608 17.654 8.838 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.513 17.557 6.461 1.00 0.00 H new ATOM 406 N ASP A 31 4.265 17.543 3.955 1.00 0.00 N ATOM 407 CA ASP A 31 4.351 17.099 2.568 1.00 0.00 C ATOM 408 C ASP A 31 4.898 15.677 2.486 1.00 0.00 C ATOM 409 O ASP A 31 5.680 15.352 1.592 1.00 0.00 O ATOM 410 CB ASP A 31 5.238 18.047 1.760 1.00 0.00 C ATOM 411 CG ASP A 31 6.686 18.008 2.208 1.00 0.00 C ATOM 412 OD1 ASP A 31 7.026 17.140 3.038 1.00 0.00 O ATOM 413 OD2 ASP A 31 7.478 18.846 1.728 1.00 0.00 O ATOM 0 H ASP A 31 5.151 17.525 4.459 1.00 0.00 H new ATOM 0 HA ASP A 31 3.346 17.108 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.180 17.783 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.859 19.064 1.855 1.00 0.00 H new ATOM 418 N THR A 32 4.482 14.833 3.425 1.00 0.00 N ATOM 419 CA THR A 32 4.932 13.447 3.461 1.00 0.00 C ATOM 420 C THR A 32 3.928 12.562 4.190 1.00 0.00 C ATOM 421 O THR A 32 3.252 13.008 5.117 1.00 0.00 O ATOM 422 CB THR A 32 6.305 13.320 4.147 1.00 0.00 C ATOM 423 OG1 THR A 32 6.461 14.352 5.128 1.00 0.00 O ATOM 424 CG2 THR A 32 7.430 13.409 3.127 1.00 0.00 C ATOM 0 H THR A 32 3.834 15.085 4.171 1.00 0.00 H new ATOM 0 HA THR A 32 5.019 13.116 2.426 1.00 0.00 H new ATOM 0 HB THR A 32 6.354 12.346 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.336 14.263 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.390 13.317 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.326 12.604 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.382 14.370 2.615 1.00 0.00 H new ATOM 432 N ILE A 33 3.837 11.306 3.766 1.00 0.00 N ATOM 433 CA ILE A 33 2.916 10.358 4.381 1.00 0.00 C ATOM 434 C ILE A 33 3.489 8.945 4.364 1.00 0.00 C ATOM 435 O ILE A 33 3.901 8.442 3.317 1.00 0.00 O ATOM 436 CB ILE A 33 1.551 10.355 3.668 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.856 11.706 3.845 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.678 9.229 4.201 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.440 11.825 3.074 1.00 0.00 C ATOM 0 H ILE A 33 4.389 10.921 3.000 1.00 0.00 H new ATOM 0 HA ILE A 33 2.776 10.679 5.413 1.00 0.00 H new ATOM 0 HB ILE A 33 1.714 10.189 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.655 11.866 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.533 12.498 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.283 9.240 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.171 8.273 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.520 9.367 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.877 12.808 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.243 11.697 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.135 11.055 3.409 1.00 0.00 H new ATOM 451 N THR A 34 3.512 8.307 5.530 1.00 0.00 N ATOM 452 CA THR A 34 4.034 6.951 5.649 1.00 0.00 C ATOM 453 C THR A 34 2.912 5.951 5.905 1.00 0.00 C ATOM 454 O THR A 34 2.338 5.913 6.994 1.00 0.00 O ATOM 455 CB THR A 34 5.070 6.845 6.784 1.00 0.00 C ATOM 456 OG1 THR A 34 6.051 7.879 6.649 1.00 0.00 O ATOM 457 CG2 THR A 34 5.752 5.486 6.769 1.00 0.00 C ATOM 0 H THR A 34 3.175 8.708 6.405 1.00 0.00 H new ATOM 0 HA THR A 34 4.519 6.715 4.702 1.00 0.00 H new ATOM 0 HB THR A 34 4.549 6.961 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.705 7.806 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.479 5.435 7.579 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.006 4.703 6.901 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.261 5.345 5.815 1.00 0.00 H new ATOM 465 N VAL A 35 2.605 5.141 4.897 1.00 0.00 N ATOM 466 CA VAL A 35 1.553 4.139 5.014 1.00 0.00 C ATOM 467 C VAL A 35 2.126 2.785 5.417 1.00 0.00 C ATOM 468 O VAL A 35 3.052 2.277 4.784 1.00 0.00 O ATOM 469 CB VAL A 35 0.777 3.983 3.693 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.352 2.976 3.852 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.241 5.328 3.227 1.00 0.00 C ATOM 0 H VAL A 35 3.070 5.159 3.990 1.00 0.00 H new ATOM 0 HA VAL A 35 0.870 4.486 5.789 1.00 0.00 H new ATOM 0 HB VAL A 35 1.462 3.608 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.889 2.879 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.061 2.008 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.038 3.318 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.304 5.198 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.429 5.735 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.072 6.016 3.070 1.00 0.00 H new ATOM 481 N HIS A 36 1.570 2.204 6.476 1.00 0.00 N ATOM 482 CA HIS A 36 2.025 0.907 6.964 1.00 0.00 C ATOM 483 C HIS A 36 1.012 -0.184 6.632 1.00 0.00 C ATOM 484 O HIS A 36 -0.162 -0.083 6.987 1.00 0.00 O ATOM 485 CB HIS A 36 2.259 0.960 8.474 1.00 0.00 C ATOM 486 CG HIS A 36 3.294 1.962 8.885 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.289 1.684 9.798 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.486 3.245 8.500 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.048 2.753 9.958 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.582 3.715 9.182 1.00 0.00 N ATOM 0 H HIS A 36 0.804 2.611 7.012 1.00 0.00 H new ATOM 0 HA HIS A 36 2.965 0.669 6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.318 1.197 8.971 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.563 -0.027 8.821 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.419 0.792 10.275 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.889 3.797 7.789 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.904 2.828 10.612 1.00 0.00 H new ATOM 499 N TRP A 37 1.474 -1.225 5.949 1.00 0.00 N ATOM 500 CA TRP A 37 0.607 -2.335 5.568 1.00 0.00 C ATOM 501 C TRP A 37 1.040 -3.624 6.257 1.00 0.00 C ATOM 502 O TRP A 37 2.234 -3.880 6.423 1.00 0.00 O ATOM 503 CB TRP A 37 0.622 -2.523 4.051 1.00 0.00 C ATOM 504 CG TRP A 37 2.002 -2.539 3.467 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.849 -3.608 3.395 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.696 -1.435 2.876 1.00 0.00 C ATOM 507 NE1 TRP A 37 4.028 -3.235 2.795 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.958 -1.907 2.466 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.373 -0.094 2.651 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.895 -1.084 1.847 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.304 0.721 2.036 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.552 0.224 1.639 1.00 0.00 C ATOM 0 H TRP A 37 2.443 -1.324 5.648 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.408 -2.098 5.887 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.120 -3.458 3.803 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.048 -1.721 3.587 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.625 -4.601 3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.825 -3.847 2.623 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.413 0.298 2.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.859 -1.465 1.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.065 1.759 1.858 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.257 0.886 1.159 1.00 0.00 H new ATOM 523 N ILE A 38 0.065 -4.433 6.656 1.00 0.00 N ATOM 524 CA ILE A 38 0.347 -5.697 7.326 1.00 0.00 C ATOM 525 C ILE A 38 -0.145 -6.879 6.497 1.00 0.00 C ATOM 526 O ILE A 38 -1.257 -6.863 5.972 1.00 0.00 O ATOM 527 CB ILE A 38 -0.307 -5.754 8.719 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.028 -7.077 9.410 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.814 -5.577 8.605 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.355 -7.060 10.136 1.00 0.00 C ATOM 0 H ILE A 38 -0.927 -4.236 6.527 1.00 0.00 H new ATOM 0 HA ILE A 38 1.429 -5.760 7.439 1.00 0.00 H new ATOM 0 HB ILE A 38 0.090 -4.939 9.324 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.763 -7.317 10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.040 -7.873 8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.262 -5.620 9.598 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.034 -4.611 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.228 -6.373 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.527 -8.030 10.602 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.155 -6.851 9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.340 -6.286 10.904 1.00 0.00 H new ATOM 542 N SER A 39 0.693 -7.906 6.387 1.00 0.00 N ATOM 543 CA SER A 39 0.345 -9.097 5.621 1.00 0.00 C ATOM 544 C SER A 39 0.715 -10.363 6.388 1.00 0.00 C ATOM 545 O SER A 39 1.684 -10.381 7.147 1.00 0.00 O ATOM 546 CB SER A 39 1.053 -9.083 4.266 1.00 0.00 C ATOM 547 OG SER A 39 1.115 -10.384 3.708 1.00 0.00 O ATOM 0 H SER A 39 1.617 -7.937 6.818 1.00 0.00 H new ATOM 0 HA SER A 39 -0.733 -9.093 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.526 -8.416 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.061 -8.686 4.383 1.00 0.00 H new ATOM 0 HG SER A 39 1.554 -10.344 2.833 1.00 0.00 H new ATOM 553 N ASP A 40 -0.063 -11.420 6.183 1.00 0.00 N ATOM 554 CA ASP A 40 0.182 -12.692 6.853 1.00 0.00 C ATOM 555 C ASP A 40 1.302 -13.463 6.161 1.00 0.00 C ATOM 556 O ASP A 40 2.081 -14.161 6.810 1.00 0.00 O ATOM 557 CB ASP A 40 -1.094 -13.534 6.878 1.00 0.00 C ATOM 558 CG ASP A 40 -1.567 -13.911 5.488 1.00 0.00 C ATOM 559 OD1 ASP A 40 -1.562 -13.032 4.602 1.00 0.00 O ATOM 560 OD2 ASP A 40 -1.943 -15.085 5.287 1.00 0.00 O ATOM 0 H ASP A 40 -0.869 -11.421 5.558 1.00 0.00 H new ATOM 0 HA ASP A 40 0.489 -12.482 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.916 -14.441 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.882 -12.980 7.389 1.00 0.00 H new ATOM 565 N ASP A 41 1.375 -13.334 4.841 1.00 0.00 N ATOM 566 CA ASP A 41 2.399 -14.019 4.061 1.00 0.00 C ATOM 567 C ASP A 41 2.883 -13.141 2.911 1.00 0.00 C ATOM 568 O ASP A 41 2.186 -12.972 1.912 1.00 0.00 O ATOM 569 CB ASP A 41 1.856 -15.341 3.517 1.00 0.00 C ATOM 570 CG ASP A 41 2.094 -16.499 4.466 1.00 0.00 C ATOM 571 OD1 ASP A 41 2.380 -16.243 5.654 1.00 0.00 O ATOM 572 OD2 ASP A 41 1.993 -17.661 4.020 1.00 0.00 O ATOM 0 H ASP A 41 0.737 -12.761 4.288 1.00 0.00 H new ATOM 0 HA ASP A 41 3.244 -14.225 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.787 -15.242 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.328 -15.557 2.559 1.00 0.00 H new ATOM 577 N GLU A 42 4.082 -12.586 3.061 1.00 0.00 N ATOM 578 CA GLU A 42 4.657 -11.725 2.035 1.00 0.00 C ATOM 579 C GLU A 42 5.937 -12.334 1.468 1.00 0.00 C ATOM 580 O GLU A 42 6.782 -11.628 0.918 1.00 0.00 O ATOM 581 CB GLU A 42 4.951 -10.337 2.609 1.00 0.00 C ATOM 582 CG GLU A 42 6.108 -10.318 3.594 1.00 0.00 C ATOM 583 CD GLU A 42 6.059 -9.123 4.527 1.00 0.00 C ATOM 584 OE1 GLU A 42 6.126 -7.979 4.032 1.00 0.00 O ATOM 585 OE2 GLU A 42 5.954 -9.334 5.754 1.00 0.00 O ATOM 0 H GLU A 42 4.673 -12.717 3.882 1.00 0.00 H new ATOM 0 HA GLU A 42 3.931 -11.631 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.172 -9.653 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.056 -9.961 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.094 -11.235 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.049 -10.307 3.044 1.00 0.00 H new ATOM 592 N PHE A 43 6.071 -13.648 1.608 1.00 0.00 N ATOM 593 CA PHE A 43 7.248 -14.353 1.112 1.00 0.00 C ATOM 594 C PHE A 43 7.109 -14.662 -0.376 1.00 0.00 C ATOM 595 O PHE A 43 8.077 -14.579 -1.131 1.00 0.00 O ATOM 596 CB PHE A 43 7.460 -15.650 1.896 1.00 0.00 C ATOM 597 CG PHE A 43 8.154 -15.447 3.213 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.621 -14.598 4.169 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.340 -16.106 3.494 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.257 -14.410 5.382 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.980 -15.922 4.705 1.00 0.00 C ATOM 602 CZ PHE A 43 9.439 -15.072 5.649 1.00 0.00 C ATOM 0 H PHE A 43 5.380 -14.247 2.060 1.00 0.00 H new ATOM 0 HA PHE A 43 8.114 -13.706 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.493 -16.121 2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.045 -16.341 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.698 -14.077 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.769 -16.771 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.830 -13.746 6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.903 -16.443 4.913 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.939 -14.925 6.595 1.00 0.00 H new ATOM 612 N SER A 44 5.898 -15.021 -0.789 1.00 0.00 N ATOM 613 CA SER A 44 5.632 -15.347 -2.185 1.00 0.00 C ATOM 614 C SER A 44 5.544 -14.081 -3.032 1.00 0.00 C ATOM 615 O SER A 44 6.064 -14.030 -4.147 1.00 0.00 O ATOM 616 CB SER A 44 4.333 -16.146 -2.306 1.00 0.00 C ATOM 617 OG SER A 44 4.307 -17.220 -1.381 1.00 0.00 O ATOM 0 H SER A 44 5.085 -15.093 -0.177 1.00 0.00 H new ATOM 0 HA SER A 44 6.459 -15.953 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.481 -15.490 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.233 -16.533 -3.320 1.00 0.00 H new ATOM 0 HG SER A 44 3.466 -17.714 -1.477 1.00 0.00 H new ATOM 623 N ILE A 45 4.883 -13.062 -2.494 1.00 0.00 N ATOM 624 CA ILE A 45 4.727 -11.796 -3.198 1.00 0.00 C ATOM 625 C ILE A 45 6.057 -11.320 -3.775 1.00 0.00 C ATOM 626 O ILE A 45 6.986 -10.998 -3.035 1.00 0.00 O ATOM 627 CB ILE A 45 4.161 -10.702 -2.273 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.817 -11.142 -1.690 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.013 -9.391 -3.031 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.199 -10.122 -0.760 1.00 0.00 C ATOM 0 H ILE A 45 4.447 -13.089 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 45 4.023 -11.973 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 45 4.859 -10.546 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.124 -11.344 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.954 -12.079 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.612 -8.628 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.987 -9.073 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.333 -9.531 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.248 -10.501 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.872 -9.938 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.030 -9.191 -1.301 1.00 0.00 H new ATOM 642 N SER A 46 6.139 -11.278 -5.101 1.00 0.00 N ATOM 643 CA SER A 46 7.356 -10.843 -5.777 1.00 0.00 C ATOM 644 C SER A 46 7.727 -9.422 -5.367 1.00 0.00 C ATOM 645 O SER A 46 8.906 -9.085 -5.250 1.00 0.00 O ATOM 646 CB SER A 46 7.175 -10.917 -7.295 1.00 0.00 C ATOM 647 OG SER A 46 6.974 -12.254 -7.720 1.00 0.00 O ATOM 0 H SER A 46 5.378 -11.540 -5.728 1.00 0.00 H new ATOM 0 HA SER A 46 8.165 -11.511 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.323 -10.305 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.054 -10.503 -7.790 1.00 0.00 H new ATOM 0 HG SER A 46 6.859 -12.274 -8.693 1.00 0.00 H new ATOM 653 N SER A 47 6.713 -8.591 -5.149 1.00 0.00 N ATOM 654 CA SER A 47 6.932 -7.204 -4.755 1.00 0.00 C ATOM 655 C SER A 47 5.616 -6.534 -4.370 1.00 0.00 C ATOM 656 O SER A 47 4.537 -7.030 -4.694 1.00 0.00 O ATOM 657 CB SER A 47 7.599 -6.428 -5.892 1.00 0.00 C ATOM 658 OG SER A 47 6.717 -6.274 -6.991 1.00 0.00 O ATOM 0 H SER A 47 5.732 -8.854 -5.239 1.00 0.00 H new ATOM 0 HA SER A 47 7.590 -7.199 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.912 -5.448 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.499 -6.951 -6.215 1.00 0.00 H new ATOM 0 HG SER A 47 7.166 -5.773 -7.704 1.00 0.00 H new ATOM 664 N TYR A 48 5.715 -5.406 -3.677 1.00 0.00 N ATOM 665 CA TYR A 48 4.533 -4.668 -3.245 1.00 0.00 C ATOM 666 C TYR A 48 4.338 -3.411 -4.087 1.00 0.00 C ATOM 667 O TYR A 48 5.285 -2.896 -4.681 1.00 0.00 O ATOM 668 CB TYR A 48 4.653 -4.292 -1.767 1.00 0.00 C ATOM 669 CG TYR A 48 4.067 -5.324 -0.830 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.693 -5.508 -0.740 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.887 -6.114 -0.034 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.152 -6.449 0.115 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.356 -7.059 0.822 1.00 0.00 C ATOM 674 CZ TYR A 48 2.988 -7.222 0.893 1.00 0.00 C ATOM 675 OH TYR A 48 2.455 -8.161 1.747 1.00 0.00 O ATOM 0 H TYR A 48 6.601 -4.982 -3.402 1.00 0.00 H new ATOM 0 HA TYR A 48 3.664 -5.312 -3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.705 -4.147 -1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.153 -3.338 -1.602 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.036 -4.905 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.958 -5.987 -0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.081 -6.578 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.008 -7.667 1.432 1.00 0.00 H new ATOM 0 HH TYR A 48 1.611 -8.496 1.379 1.00 0.00 H new ATOM 685 N GLU A 49 3.102 -2.923 -4.132 1.00 0.00 N ATOM 686 CA GLU A 49 2.782 -1.726 -4.901 1.00 0.00 C ATOM 687 C GLU A 49 1.997 -0.729 -4.053 1.00 0.00 C ATOM 688 O GLU A 49 1.242 -1.115 -3.160 1.00 0.00 O ATOM 689 CB GLU A 49 1.978 -2.096 -6.149 1.00 0.00 C ATOM 690 CG GLU A 49 1.495 -0.892 -6.941 1.00 0.00 C ATOM 691 CD GLU A 49 0.120 -0.421 -6.508 1.00 0.00 C ATOM 692 OE1 GLU A 49 0.002 0.107 -5.382 1.00 0.00 O ATOM 693 OE2 GLU A 49 -0.837 -0.582 -7.293 1.00 0.00 O ATOM 0 H GLU A 49 2.307 -3.338 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 49 3.718 -1.259 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.593 -2.722 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.117 -2.694 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.208 -0.076 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.471 -1.145 -8.001 1.00 0.00 H new ATOM 700 N LEU A 50 2.181 0.555 -4.340 1.00 0.00 N ATOM 701 CA LEU A 50 1.491 1.609 -3.605 1.00 0.00 C ATOM 702 C LEU A 50 0.749 2.542 -4.557 1.00 0.00 C ATOM 703 O LEU A 50 1.295 2.964 -5.577 1.00 0.00 O ATOM 704 CB LEU A 50 2.488 2.408 -2.763 1.00 0.00 C ATOM 705 CG LEU A 50 1.892 3.245 -1.631 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.474 2.354 -0.472 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.887 4.298 -1.165 1.00 0.00 C ATOM 0 H LEU A 50 2.802 0.891 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 50 0.762 1.139 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.209 1.713 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.042 3.072 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 50 1.006 3.754 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.052 2.967 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.726 1.639 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.344 1.817 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.446 4.884 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.792 3.809 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.137 4.956 -1.997 1.00 0.00 H new ATOM 719 N GLN A 51 -0.495 2.861 -4.216 1.00 0.00 N ATOM 720 CA GLN A 51 -1.310 3.745 -5.041 1.00 0.00 C ATOM 721 C GLN A 51 -1.844 4.915 -4.221 1.00 0.00 C ATOM 722 O GLN A 51 -2.649 4.730 -3.308 1.00 0.00 O ATOM 723 CB GLN A 51 -2.472 2.970 -5.663 1.00 0.00 C ATOM 724 CG GLN A 51 -2.030 1.866 -6.609 1.00 0.00 C ATOM 725 CD GLN A 51 -3.026 1.620 -7.725 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.128 2.170 -7.722 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.643 0.790 -8.688 1.00 0.00 N ATOM 0 H GLN A 51 -0.961 2.521 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.680 4.141 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.075 2.534 -4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.113 3.666 -6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.064 2.128 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.888 0.944 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.721 0.356 -8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.271 0.586 -9.465 1.00 0.00 H new ATOM 736 N TYR A 52 -1.391 6.119 -4.552 1.00 0.00 N ATOM 737 CA TYR A 52 -1.821 7.319 -3.844 1.00 0.00 C ATOM 738 C TYR A 52 -2.394 8.348 -4.815 1.00 0.00 C ATOM 739 O TYR A 52 -1.929 8.477 -5.948 1.00 0.00 O ATOM 740 CB TYR A 52 -0.651 7.927 -3.071 1.00 0.00 C ATOM 741 CG TYR A 52 0.473 8.416 -3.957 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.422 7.534 -4.459 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.584 9.760 -4.293 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.450 7.977 -5.268 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.608 10.211 -5.103 1.00 0.00 C ATOM 746 CZ TYR A 52 2.539 9.315 -5.588 1.00 0.00 C ATOM 747 OH TYR A 52 3.561 9.760 -6.395 1.00 0.00 O ATOM 0 H TYR A 52 -0.726 6.290 -5.306 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.603 7.035 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.017 8.760 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.258 7.183 -2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.355 6.485 -4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.143 10.464 -3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.181 7.278 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.680 11.259 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 52 3.192 10.315 -7.113 1.00 0.00 H new ATOM 757 N THR A 53 -3.407 9.079 -4.361 1.00 0.00 N ATOM 758 CA THR A 53 -4.045 10.097 -5.187 1.00 0.00 C ATOM 759 C THR A 53 -4.840 11.078 -4.334 1.00 0.00 C ATOM 760 O THR A 53 -5.492 10.687 -3.366 1.00 0.00 O ATOM 761 CB THR A 53 -4.984 9.465 -6.232 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.348 10.439 -7.217 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.237 8.912 -5.570 1.00 0.00 C ATOM 0 H THR A 53 -3.803 8.985 -3.426 1.00 0.00 H new ATOM 0 HA THR A 53 -3.247 10.632 -5.702 1.00 0.00 H new ATOM 0 HB THR A 53 -4.454 8.643 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.944 10.029 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.884 8.471 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.958 8.150 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.768 9.719 -5.064 1.00 0.00 H new ATOM 771 N ILE A 54 -4.782 12.354 -4.700 1.00 0.00 N ATOM 772 CA ILE A 54 -5.499 13.392 -3.969 1.00 0.00 C ATOM 773 C ILE A 54 -7.008 13.202 -4.083 1.00 0.00 C ATOM 774 O ILE A 54 -7.552 13.116 -5.184 1.00 0.00 O ATOM 775 CB ILE A 54 -5.130 14.797 -4.478 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.630 15.047 -4.309 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.935 15.857 -3.740 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.077 16.076 -5.270 1.00 0.00 C ATOM 0 H ILE A 54 -4.246 12.694 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.202 13.304 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.373 14.858 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.437 15.375 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.095 14.107 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.663 16.845 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.999 15.687 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.721 15.799 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.009 16.202 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.238 15.741 -6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.585 17.028 -5.116 1.00 0.00 H new ATOM 790 N PHE A 55 -7.679 13.139 -2.938 1.00 0.00 N ATOM 791 CA PHE A 55 -9.126 12.960 -2.909 1.00 0.00 C ATOM 792 C PHE A 55 -9.836 14.299 -2.733 1.00 0.00 C ATOM 793 O PHE A 55 -9.584 15.028 -1.772 1.00 0.00 O ATOM 794 CB PHE A 55 -9.521 12.008 -1.778 1.00 0.00 C ATOM 795 CG PHE A 55 -11.006 11.840 -1.627 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.767 12.817 -1.004 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.641 10.706 -2.107 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.133 12.664 -0.863 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.007 10.549 -1.970 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.754 11.529 -1.348 1.00 0.00 C ATOM 0 H PHE A 55 -7.244 13.209 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.433 12.528 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.070 11.033 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.108 12.380 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.287 13.707 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.062 9.936 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.715 13.431 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.490 9.660 -2.349 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.822 11.409 -1.241 1.00 0.00 H new ATOM 1050 N MET A 72 -1.351 7.597 -8.833 1.00 0.00 N ATOM 1051 CA MET A 72 0.096 7.433 -8.905 1.00 0.00 C ATOM 1052 C MET A 72 0.519 6.084 -8.331 1.00 0.00 C ATOM 1053 O MET A 72 -0.049 5.613 -7.346 1.00 0.00 O ATOM 1054 CB MET A 72 0.798 8.564 -8.151 1.00 0.00 C ATOM 1055 CG MET A 72 1.091 9.780 -9.015 1.00 0.00 C ATOM 1056 SD MET A 72 1.300 11.286 -8.046 1.00 0.00 S ATOM 1057 CE MET A 72 -0.384 11.580 -7.510 1.00 0.00 C ATOM 0 HA MET A 72 0.389 7.470 -9.954 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.177 8.868 -7.308 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.734 8.188 -7.738 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.995 9.598 -9.597 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.277 9.920 -9.726 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.756 12.498 -7.965 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.014 10.744 -7.814 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.409 11.677 -6.425 1.00 0.00 H new ATOM 1067 N ILE A 73 1.518 5.469 -8.954 1.00 0.00 N ATOM 1068 CA ILE A 73 2.017 4.175 -8.504 1.00 0.00 C ATOM 1069 C ILE A 73 3.518 4.227 -8.238 1.00 0.00 C ATOM 1070 O ILE A 73 4.251 4.965 -8.896 1.00 0.00 O ATOM 1071 CB ILE A 73 1.728 3.070 -9.537 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.221 2.942 -9.771 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.312 1.744 -9.072 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.300 3.850 -10.863 1.00 0.00 C ATOM 0 H ILE A 73 1.998 5.845 -9.772 1.00 0.00 H new ATOM 0 HA ILE A 73 1.494 3.940 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 73 2.201 3.342 -10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.012 1.908 -10.027 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.303 3.166 -8.842 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.099 0.973 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.391 1.844 -8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.865 1.464 -8.118 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.375 3.706 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.098 4.888 -10.600 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.197 3.611 -11.803 1.00 0.00 H new ATOM 1086 N VAL A 74 3.969 3.436 -7.270 1.00 0.00 N ATOM 1087 CA VAL A 74 5.383 3.389 -6.918 1.00 0.00 C ATOM 1088 C VAL A 74 5.862 1.950 -6.757 1.00 0.00 C ATOM 1089 O VAL A 74 5.812 1.371 -5.672 1.00 0.00 O ATOM 1090 CB VAL A 74 5.663 4.160 -5.614 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.102 3.950 -5.168 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.364 5.640 -5.797 1.00 0.00 C ATOM 0 H VAL A 74 3.376 2.819 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 74 5.928 3.861 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 74 5.006 3.773 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.281 4.502 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.278 2.888 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.779 4.309 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.567 6.170 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.995 6.043 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.316 5.769 -6.067 1.00 0.00 H new ATOM 1102 N PRO A 75 6.337 1.358 -7.862 1.00 0.00 N ATOM 1103 CA PRO A 75 6.836 -0.021 -7.869 1.00 0.00 C ATOM 1104 C PRO A 75 8.148 -0.167 -7.108 1.00 0.00 C ATOM 1105 O PRO A 75 8.622 0.780 -6.481 1.00 0.00 O ATOM 1106 CB PRO A 75 7.045 -0.315 -9.357 1.00 0.00 C ATOM 1107 CG PRO A 75 7.264 1.021 -9.980 1.00 0.00 C ATOM 1108 CD PRO A 75 6.426 1.988 -9.190 1.00 0.00 C ATOM 0 HA PRO A 75 6.145 -0.706 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.902 -0.970 -9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.177 -0.815 -9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.317 1.299 -9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.969 1.016 -11.029 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.891 2.972 -9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.441 2.124 -9.637 1.00 0.00 H new ATOM 1116 N ASN A 76 8.732 -1.360 -7.167 1.00 0.00 N ATOM 1117 CA ASN A 76 9.991 -1.629 -6.482 1.00 0.00 C ATOM 1118 C ASN A 76 9.848 -1.419 -4.978 1.00 0.00 C ATOM 1119 O ASN A 76 10.677 -0.757 -4.352 1.00 0.00 O ATOM 1120 CB ASN A 76 11.098 -0.727 -7.031 1.00 0.00 C ATOM 1121 CG ASN A 76 11.369 -0.974 -8.503 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.982 -1.976 -8.873 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.911 -0.060 -9.350 1.00 0.00 N ATOM 0 H ASN A 76 8.354 -2.155 -7.682 1.00 0.00 H new ATOM 0 HA ASN A 76 10.258 -2.670 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.818 0.316 -6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.013 -0.893 -6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.062 -0.173 -10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.408 0.755 -8.998 1.00 0.00 H new ATOM 1130 N ILE A 77 8.793 -1.987 -4.404 1.00 0.00 N ATOM 1131 CA ILE A 77 8.542 -1.863 -2.974 1.00 0.00 C ATOM 1132 C ILE A 77 8.644 -3.217 -2.279 1.00 0.00 C ATOM 1133 O ILE A 77 7.841 -4.117 -2.527 1.00 0.00 O ATOM 1134 CB ILE A 77 7.153 -1.259 -2.695 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.980 0.052 -3.464 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.963 -1.033 -1.203 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.704 0.789 -3.123 1.00 0.00 C ATOM 0 H ILE A 77 8.098 -2.538 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 77 9.306 -1.194 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 77 6.392 -1.962 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.831 0.701 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.993 -0.159 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.977 -0.606 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.048 -1.984 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.728 -0.347 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.648 1.709 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.846 0.159 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.697 1.032 -2.060 1.00 0.00 H new ATOM 1149 N LYS A 78 9.636 -3.354 -1.405 1.00 0.00 N ATOM 1150 CA LYS A 78 9.842 -4.596 -0.670 1.00 0.00 C ATOM 1151 C LYS A 78 9.911 -4.335 0.831 1.00 0.00 C ATOM 1152 O LYS A 78 10.659 -4.997 1.551 1.00 0.00 O ATOM 1153 CB LYS A 78 11.127 -5.283 -1.139 1.00 0.00 C ATOM 1154 CG LYS A 78 11.215 -5.445 -2.647 1.00 0.00 C ATOM 1155 CD LYS A 78 11.985 -6.698 -3.029 1.00 0.00 C ATOM 1156 CE LYS A 78 12.093 -6.847 -4.539 1.00 0.00 C ATOM 1157 NZ LYS A 78 13.302 -7.621 -4.934 1.00 0.00 N ATOM 0 H LYS A 78 10.310 -2.620 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 78 8.994 -5.251 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.985 -4.706 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.195 -6.265 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.211 -5.491 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.702 -4.571 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.984 -6.660 -2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.488 -7.573 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.202 -7.346 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.127 -5.860 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.340 -7.701 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.154 -7.132 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.258 -8.572 -4.515 1.00 0.00 H new ATOM 1171 N GLN A 79 9.125 -3.369 1.296 1.00 0.00 N ATOM 1172 CA GLN A 79 9.098 -3.023 2.712 1.00 0.00 C ATOM 1173 C GLN A 79 7.669 -3.020 3.244 1.00 0.00 C ATOM 1174 O GLN A 79 6.717 -3.240 2.496 1.00 0.00 O ATOM 1175 CB GLN A 79 9.741 -1.653 2.936 1.00 0.00 C ATOM 1176 CG GLN A 79 9.090 -0.537 2.135 1.00 0.00 C ATOM 1177 CD GLN A 79 9.931 0.724 2.102 1.00 0.00 C ATOM 1178 OE1 GLN A 79 11.013 0.778 2.687 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.436 1.747 1.415 1.00 0.00 N ATOM 0 H GLN A 79 8.499 -2.813 0.713 1.00 0.00 H new ATOM 0 HA GLN A 79 9.667 -3.777 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.689 -1.406 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.797 -1.709 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.916 -0.880 1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.115 -0.308 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.535 1.658 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.957 2.622 1.357 1.00 0.00 H new ATOM 1188 N ASN A 80 7.526 -2.769 4.541 1.00 0.00 N ATOM 1189 CA ASN A 80 6.212 -2.739 5.174 1.00 0.00 C ATOM 1190 C ASN A 80 5.756 -1.302 5.411 1.00 0.00 C ATOM 1191 O ASN A 80 4.803 -1.056 6.151 1.00 0.00 O ATOM 1192 CB ASN A 80 6.244 -3.501 6.500 1.00 0.00 C ATOM 1193 CG ASN A 80 6.753 -4.920 6.339 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.936 -5.142 6.082 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.858 -5.890 6.490 1.00 0.00 N ATOM 0 H ASN A 80 8.304 -2.583 5.175 1.00 0.00 H new ATOM 0 HA ASN A 80 5.501 -3.221 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.880 -2.968 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.241 -3.524 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.141 -6.865 6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.887 -5.660 6.703 1.00 0.00 H new ATOM 1202 N HIS A 81 6.441 -0.357 4.776 1.00 0.00 N ATOM 1203 CA HIS A 81 6.106 1.056 4.916 1.00 0.00 C ATOM 1204 C HIS A 81 6.905 1.904 3.931 1.00 0.00 C ATOM 1205 O HIS A 81 8.135 1.859 3.914 1.00 0.00 O ATOM 1206 CB HIS A 81 6.374 1.526 6.346 1.00 0.00 C ATOM 1207 CG HIS A 81 7.620 0.947 6.943 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.605 -0.035 7.910 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.924 1.218 6.703 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.847 -0.343 8.241 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.666 0.403 7.523 1.00 0.00 N ATOM 0 H HIS A 81 7.232 -0.544 4.159 1.00 0.00 H new ATOM 0 HA HIS A 81 5.045 1.176 4.695 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.448 2.613 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.523 1.260 6.973 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.309 1.940 5.998 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.142 -1.079 8.974 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.685 0.378 7.570 1.00 0.00 H new ATOM 1220 N TYR A 82 6.197 2.675 3.113 1.00 0.00 N ATOM 1221 CA TYR A 82 6.840 3.531 2.124 1.00 0.00 C ATOM 1222 C TYR A 82 6.466 4.994 2.343 1.00 0.00 C ATOM 1223 O TYR A 82 5.288 5.353 2.349 1.00 0.00 O ATOM 1224 CB TYR A 82 6.445 3.099 0.711 1.00 0.00 C ATOM 1225 CG TYR A 82 7.059 3.950 -0.377 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.594 5.236 -0.627 1.00 0.00 C ATOM 1227 CD2 TYR A 82 8.104 3.469 -1.156 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.152 6.017 -1.620 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.669 4.244 -2.151 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.190 5.517 -2.379 1.00 0.00 C ATOM 1231 OH TYR A 82 8.749 6.291 -3.370 1.00 0.00 O ATOM 0 H TYR A 82 5.178 2.725 3.116 1.00 0.00 H new ATOM 0 HA TYR A 82 7.919 3.429 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.743 2.061 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.359 3.135 0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.782 5.631 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.481 2.472 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.778 7.014 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.481 3.855 -2.747 1.00 0.00 H new ATOM 0 HH TYR A 82 9.469 5.791 -3.809 1.00 0.00 H new ATOM 1241 N THR A 83 7.479 5.837 2.523 1.00 0.00 N ATOM 1242 CA THR A 83 7.259 7.260 2.744 1.00 0.00 C ATOM 1243 C THR A 83 7.067 7.998 1.424 1.00 0.00 C ATOM 1244 O THR A 83 7.988 8.090 0.612 1.00 0.00 O ATOM 1245 CB THR A 83 8.433 7.898 3.509 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.662 7.191 4.733 1.00 0.00 O ATOM 1247 CG2 THR A 83 8.152 9.363 3.809 1.00 0.00 C ATOM 0 H THR A 83 8.460 5.558 2.520 1.00 0.00 H new ATOM 0 HA THR A 83 6.353 7.350 3.343 1.00 0.00 H new ATOM 0 HB THR A 83 9.322 7.836 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.919 7.356 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.996 9.792 4.350 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.007 9.905 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.252 9.443 4.418 1.00 0.00 H new ATOM 1255 N VAL A 84 5.864 8.524 1.215 1.00 0.00 N ATOM 1256 CA VAL A 84 5.551 9.256 -0.007 1.00 0.00 C ATOM 1257 C VAL A 84 5.898 10.734 0.134 1.00 0.00 C ATOM 1258 O VAL A 84 5.507 11.385 1.103 1.00 0.00 O ATOM 1259 CB VAL A 84 4.062 9.122 -0.376 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.720 10.024 -1.552 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.719 7.673 -0.688 1.00 0.00 C ATOM 0 H VAL A 84 5.090 8.457 1.876 1.00 0.00 H new ATOM 0 HA VAL A 84 6.155 8.818 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 84 3.464 9.437 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.664 9.916 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.926 11.061 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.324 9.742 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.663 7.597 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.324 7.328 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.924 7.054 0.186 1.00 0.00 H new ATOM 1271 N HIS A 85 6.635 11.259 -0.840 1.00 0.00 N ATOM 1272 CA HIS A 85 7.034 12.662 -0.825 1.00 0.00 C ATOM 1273 C HIS A 85 6.376 13.426 -1.971 1.00 0.00 C ATOM 1274 O HIS A 85 6.097 12.860 -3.028 1.00 0.00 O ATOM 1275 CB HIS A 85 8.555 12.782 -0.923 1.00 0.00 C ATOM 1276 CG HIS A 85 9.272 12.335 0.313 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.147 13.142 1.010 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.238 11.156 0.979 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.622 12.479 2.049 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.086 11.271 2.053 1.00 0.00 N ATOM 0 H HIS A 85 6.968 10.734 -1.649 1.00 0.00 H new ATOM 0 HA HIS A 85 6.703 13.099 0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.904 12.191 -1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.817 13.820 -1.130 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.389 14.101 0.762 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.653 10.287 0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.328 12.859 2.772 1.00 0.00 H new ATOM 1289 N GLY A 86 6.131 14.714 -1.753 1.00 0.00 N ATOM 1290 CA GLY A 86 5.508 15.534 -2.776 1.00 0.00 C ATOM 1291 C GLY A 86 3.997 15.566 -2.652 1.00 0.00 C ATOM 1292 O GLY A 86 3.282 15.302 -3.619 1.00 0.00 O ATOM 0 H GLY A 86 6.353 15.205 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.897 16.550 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.781 15.152 -3.760 1.00 0.00 H new ATOM 1296 N LEU A 87 3.510 15.889 -1.459 1.00 0.00 N ATOM 1297 CA LEU A 87 2.074 15.954 -1.211 1.00 0.00 C ATOM 1298 C LEU A 87 1.664 17.348 -0.747 1.00 0.00 C ATOM 1299 O LEU A 87 2.513 18.182 -0.433 1.00 0.00 O ATOM 1300 CB LEU A 87 1.671 14.916 -0.162 1.00 0.00 C ATOM 1301 CG LEU A 87 2.146 13.485 -0.417 1.00 0.00 C ATOM 1302 CD1 LEU A 87 2.065 12.660 0.859 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.326 12.840 -1.524 1.00 0.00 C ATOM 0 H LEU A 87 4.088 16.110 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 87 1.558 15.736 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.056 15.238 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.584 14.909 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 87 3.187 13.520 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.407 11.645 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.697 13.111 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.033 12.633 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.678 11.822 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.276 12.817 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.436 13.418 -2.442 1.00 0.00 H new ATOM 1315 N GLN A 88 0.358 17.591 -0.705 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.164 18.884 -0.277 1.00 0.00 C ATOM 1317 C GLN A 88 -0.495 18.872 1.212 1.00 0.00 C ATOM 1318 O GLN A 88 -0.748 17.817 1.793 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.410 19.247 -1.086 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.203 19.171 -2.590 1.00 0.00 C ATOM 1321 CD GLN A 88 -0.212 20.201 -3.095 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -0.164 21.328 -2.601 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.585 19.819 -4.086 1.00 0.00 N ATOM 0 H GLN A 88 -0.357 16.911 -0.962 1.00 0.00 H new ATOM 0 HA GLN A 88 0.606 19.635 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.223 18.577 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.723 20.257 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.851 18.174 -2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.159 19.316 -3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.511 18.875 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.272 20.470 -4.468 1.00 0.00 H new ATOM 1332 N SER A 89 -0.491 20.052 1.823 1.00 0.00 N ATOM 1333 CA SER A 89 -0.787 20.177 3.245 1.00 0.00 C ATOM 1334 C SER A 89 -2.292 20.140 3.493 1.00 0.00 C ATOM 1335 O SER A 89 -3.085 20.467 2.611 1.00 0.00 O ATOM 1336 CB SER A 89 -0.199 21.478 3.798 1.00 0.00 C ATOM 1337 OG SER A 89 -0.763 22.606 3.153 1.00 0.00 O ATOM 0 H SER A 89 -0.286 20.935 1.356 1.00 0.00 H new ATOM 0 HA SER A 89 -0.331 19.332 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.384 21.538 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.882 21.479 3.661 1.00 0.00 H new ATOM 0 HG SER A 89 -0.373 23.424 3.525 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.677 19.740 4.701 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.085 19.667 5.044 1.00 0.00 C ATOM 1345 C GLY A 90 -4.945 19.228 3.875 1.00 0.00 C ATOM 1346 O GLY A 90 -5.828 19.963 3.432 1.00 0.00 O ATOM 0 H GLY A 90 -2.039 19.465 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.219 18.970 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.422 20.643 5.392 1.00 0.00 H new ATOM 1350 N THR A 91 -4.686 18.025 3.371 1.00 0.00 N ATOM 1351 CA THR A 91 -5.440 17.490 2.244 1.00 0.00 C ATOM 1352 C THR A 91 -5.653 15.987 2.390 1.00 0.00 C ATOM 1353 O THR A 91 -4.807 15.281 2.937 1.00 0.00 O ATOM 1354 CB THR A 91 -4.728 17.769 0.908 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.625 19.181 0.693 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.478 17.128 -0.250 1.00 0.00 C ATOM 0 H THR A 91 -3.960 17.403 3.726 1.00 0.00 H new ATOM 0 HA THR A 91 -6.407 17.993 2.243 1.00 0.00 H new ATOM 0 HB THR A 91 -3.729 17.336 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.035 19.573 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.956 17.339 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.529 16.050 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.488 17.535 -0.299 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.788 15.505 1.895 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.112 14.085 1.970 1.00 0.00 C ATOM 1366 C ARG A 92 -6.318 13.291 0.937 1.00 0.00 C ATOM 1367 O ARG A 92 -6.258 13.664 -0.235 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.611 13.870 1.753 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.443 14.069 3.009 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.893 13.666 2.787 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.792 14.308 3.742 1.00 0.00 N ATOM 1372 CZ ARG A 92 -13.109 14.369 3.585 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -13.678 13.830 2.515 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.861 14.970 4.498 1.00 0.00 N ATOM 0 H ARG A 92 -7.499 16.076 1.438 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.841 13.728 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.960 14.558 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.774 12.860 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.021 13.480 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.398 15.114 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.192 13.932 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.986 12.583 2.873 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.386 14.733 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.104 13.367 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.690 13.878 2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.428 15.386 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.873 15.016 4.376 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.712 12.195 1.380 1.00 0.00 N ATOM 1389 CA TYR A 93 -4.919 11.350 0.495 1.00 0.00 C ATOM 1390 C TYR A 93 -5.280 9.879 0.679 1.00 0.00 C ATOM 1391 O TYR A 93 -5.151 9.329 1.773 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.427 11.557 0.759 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.806 12.641 -0.094 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.784 13.962 0.335 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.242 12.343 -1.328 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.219 14.956 -0.441 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.673 13.330 -2.110 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.664 14.635 -1.662 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.099 15.621 -2.438 1.00 0.00 O ATOM 0 H TYR A 93 -5.755 11.871 2.346 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.142 11.635 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.284 11.807 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.901 10.619 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.216 14.217 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.248 11.323 -1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.212 15.978 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.238 13.081 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.753 15.227 -3.266 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.733 9.249 -0.400 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.111 7.842 -0.359 1.00 0.00 C ATOM 1411 C ILE A 94 -4.934 6.945 -0.725 1.00 0.00 C ATOM 1412 O ILE A 94 -4.128 7.284 -1.592 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.284 7.546 -1.313 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.533 8.313 -0.873 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.563 6.051 -1.362 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.790 7.884 -1.597 1.00 0.00 C ATOM 0 H ILE A 94 -5.847 9.690 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.422 7.629 0.664 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.011 7.877 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.676 8.175 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.373 9.378 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.394 5.858 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.676 5.527 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.819 5.696 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.636 8.469 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.667 8.048 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.974 6.826 -1.410 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.842 5.798 -0.061 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.763 4.850 -0.318 1.00 0.00 C ATOM 1430 C PHE A 95 -4.308 3.433 -0.465 1.00 0.00 C ATOM 1431 O PHE A 95 -5.159 2.999 0.312 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.734 4.898 0.814 1.00 0.00 C ATOM 1433 CG PHE A 95 -1.978 6.194 0.883 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.504 7.283 1.561 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.743 6.325 0.269 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.811 8.477 1.626 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.045 7.516 0.332 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.580 8.594 1.010 1.00 0.00 C ATOM 0 H PHE A 95 -5.501 5.502 0.659 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.279 5.133 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.243 4.732 1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.025 4.080 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.466 7.197 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.321 5.487 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.231 9.318 2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.918 7.604 -0.149 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.037 9.526 1.058 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.812 2.716 -1.468 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.248 1.348 -1.718 1.00 0.00 C ATOM 1450 C ILE A 96 -3.069 0.455 -2.090 1.00 0.00 C ATOM 1451 O ILE A 96 -2.522 0.555 -3.188 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.298 1.288 -2.843 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.627 1.873 -2.362 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.484 -0.145 -3.318 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.564 2.251 -3.487 1.00 0.00 C ATOM 0 H ILE A 96 -3.108 3.060 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.698 0.986 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.943 1.885 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.122 1.147 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.427 2.756 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.229 -0.171 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.536 -0.529 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.820 -0.763 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.486 2.659 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.089 3.000 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.794 1.367 -4.082 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.683 -0.421 -1.167 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.571 -1.335 -1.399 1.00 0.00 C ATOM 1469 C VAL A 97 -2.024 -2.566 -2.176 1.00 0.00 C ATOM 1470 O VAL A 97 -2.874 -3.328 -1.714 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.930 -1.786 -0.073 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.111 -2.866 -0.323 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.314 -0.598 0.651 1.00 0.00 C ATOM 0 H VAL A 97 -3.124 -0.517 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.831 -0.791 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.709 -2.207 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.553 -3.172 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.363 -3.726 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.890 -2.476 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.134 -0.934 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.453 -0.147 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.088 0.139 0.864 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.451 -2.756 -3.359 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.793 -3.896 -4.202 1.00 0.00 C ATOM 1485 C LYS A 98 -0.645 -4.899 -4.253 1.00 0.00 C ATOM 1486 O LYS A 98 0.401 -4.630 -4.842 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.136 -3.425 -5.617 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.262 -4.558 -6.621 1.00 0.00 C ATOM 1489 CD LYS A 98 -3.098 -4.149 -7.822 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.276 -3.363 -8.832 1.00 0.00 C ATOM 1491 NZ LYS A 98 -3.136 -2.696 -9.848 1.00 0.00 N ATOM 0 H LYS A 98 -0.747 -2.135 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.663 -4.389 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.074 -2.870 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.366 -2.733 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.270 -4.862 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.716 -5.424 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.510 -5.038 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.943 -3.545 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.681 -2.613 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.577 -4.034 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.538 -2.171 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.685 -3.414 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.786 -2.037 -9.374 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.849 -6.056 -3.632 1.00 0.00 N ATOM 1506 CA ALA A 99 0.168 -7.101 -3.610 1.00 0.00 C ATOM 1507 C ALA A 99 0.269 -7.797 -4.963 1.00 0.00 C ATOM 1508 O ALA A 99 -0.724 -8.306 -5.485 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.138 -8.112 -2.515 1.00 0.00 C ATOM 0 H ALA A 99 -1.709 -6.294 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 99 1.130 -6.634 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.629 -8.886 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.152 -7.608 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.111 -8.567 -2.701 1.00 0.00 H new ATOM 1515 N ILE A 100 1.472 -7.816 -5.525 1.00 0.00 N ATOM 1516 CA ILE A 100 1.702 -8.451 -6.817 1.00 0.00 C ATOM 1517 C ILE A 100 2.576 -9.692 -6.673 1.00 0.00 C ATOM 1518 O ILE A 100 3.631 -9.650 -6.042 1.00 0.00 O ATOM 1519 CB ILE A 100 2.368 -7.480 -7.811 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.577 -6.173 -7.888 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.477 -8.122 -9.186 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.428 -4.972 -8.236 1.00 0.00 C ATOM 0 H ILE A 100 2.303 -7.399 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 100 0.725 -8.741 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 100 3.374 -7.253 -7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.789 -6.278 -8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.088 -5.997 -6.930 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.949 -7.424 -9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.079 -9.028 -9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.481 -8.374 -9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.802 -4.081 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.200 -4.841 -7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.896 -5.127 -9.208 1.00 0.00 H new ATOM 1534 N ASN A 101 2.129 -10.795 -7.263 1.00 0.00 N ATOM 1535 CA ASN A 101 2.871 -12.049 -7.202 1.00 0.00 C ATOM 1536 C ASN A 101 2.730 -12.830 -8.505 1.00 0.00 C ATOM 1537 O ASN A 101 2.000 -12.422 -9.407 1.00 0.00 O ATOM 1538 CB ASN A 101 2.379 -12.900 -6.029 1.00 0.00 C ATOM 1539 CG ASN A 101 0.970 -13.419 -6.243 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.132 -12.744 -6.840 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.704 -14.625 -5.753 1.00 0.00 N ATOM 0 H ASN A 101 1.257 -10.846 -7.789 1.00 0.00 H new ATOM 0 HA ASN A 101 3.924 -11.811 -7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.056 -13.742 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.410 -12.307 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.227 -15.027 -5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.430 -15.149 -5.265 1.00 0.00 H new ATOM 1548 N GLN A 102 3.435 -13.953 -8.595 1.00 0.00 N ATOM 1549 CA GLN A 102 3.388 -14.790 -9.788 1.00 0.00 C ATOM 1550 C GLN A 102 1.948 -15.139 -10.152 1.00 0.00 C ATOM 1551 O GLN A 102 1.608 -15.265 -11.328 1.00 0.00 O ATOM 1552 CB GLN A 102 4.196 -16.071 -9.570 1.00 0.00 C ATOM 1553 CG GLN A 102 3.906 -16.755 -8.244 1.00 0.00 C ATOM 1554 CD GLN A 102 4.744 -18.001 -8.035 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.053 -18.722 -8.985 1.00 0.00 O ATOM 1556 NE2 GLN A 102 5.117 -18.261 -6.788 1.00 0.00 N ATOM 0 H GLN A 102 4.045 -14.304 -7.857 1.00 0.00 H new ATOM 0 HA GLN A 102 3.826 -14.228 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.984 -16.767 -10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.259 -15.834 -9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.093 -16.055 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.850 -17.020 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.838 -17.636 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.682 -19.086 -6.586 1.00 0.00 H new ATOM 1565 N ALA A 103 1.107 -15.295 -9.135 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.296 -15.627 -9.348 1.00 0.00 C ATOM 1567 C ALA A 103 -1.043 -14.467 -9.997 1.00 0.00 C ATOM 1568 O ALA A 103 -1.692 -14.633 -11.029 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.954 -16.010 -8.030 1.00 0.00 C ATOM 0 H ALA A 103 1.373 -15.197 -8.155 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.343 -16.479 -10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.002 -16.255 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.444 -16.875 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.888 -15.174 -7.334 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.948 -13.291 -9.383 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.621 -12.120 -9.916 1.00 0.00 C ATOM 1577 C GLY A 104 -1.465 -10.906 -9.022 1.00 0.00 C ATOM 1578 O GLY A 104 -0.372 -10.624 -8.531 1.00 0.00 O ATOM 0 H GLY A 104 -0.418 -13.128 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.222 -11.893 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.681 -12.340 -10.043 1.00 0.00 H new ATOM 1582 N SER A 105 -2.561 -10.183 -8.812 1.00 0.00 N ATOM 1583 CA SER A 105 -2.540 -8.989 -7.976 1.00 0.00 C ATOM 1584 C SER A 105 -3.853 -8.836 -7.213 1.00 0.00 C ATOM 1585 O SER A 105 -4.902 -9.294 -7.665 1.00 0.00 O ATOM 1586 CB SER A 105 -2.287 -7.746 -8.831 1.00 0.00 C ATOM 1587 OG SER A 105 -3.322 -7.561 -9.781 1.00 0.00 O ATOM 0 H SER A 105 -3.474 -10.404 -9.209 1.00 0.00 H new ATOM 0 HA SER A 105 -1.730 -9.096 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.217 -6.868 -8.189 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.331 -7.843 -9.345 1.00 0.00 H new ATOM 0 HG SER A 105 -3.138 -6.759 -10.314 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.785 -8.190 -6.054 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.967 -7.977 -5.228 1.00 0.00 C ATOM 1595 C ARG A 106 -4.974 -6.569 -4.640 1.00 0.00 C ATOM 1596 O ARG A 106 -4.087 -6.204 -3.869 1.00 0.00 O ATOM 1597 CB ARG A 106 -5.021 -9.012 -4.102 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.295 -8.948 -3.276 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.513 -9.333 -4.101 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.733 -9.353 -3.299 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.023 -10.310 -2.425 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -8.184 -11.320 -2.241 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.154 -10.258 -1.732 1.00 0.00 N ATOM 0 H ARG A 106 -2.924 -7.805 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.847 -8.092 -5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.927 -10.009 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.164 -8.866 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.208 -9.616 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.425 -7.940 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.631 -8.628 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.355 -10.316 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.399 -8.590 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.314 -11.363 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.409 -12.054 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.802 -9.482 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.375 -10.994 -1.061 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.979 -5.784 -5.011 1.00 0.00 N ATOM 1618 CA ASN A 107 -6.101 -4.415 -4.521 1.00 0.00 C ATOM 1619 C ASN A 107 -6.826 -4.380 -3.180 1.00 0.00 C ATOM 1620 O ASN A 107 -7.967 -4.828 -3.067 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.847 -3.551 -5.540 1.00 0.00 C ATOM 1622 CG ASN A 107 -7.638 -2.436 -4.884 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.507 -2.685 -4.049 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -7.339 -1.198 -5.261 1.00 0.00 N ATOM 0 H ASN A 107 -6.721 -6.071 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.097 -4.015 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.131 -3.121 -6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.523 -4.180 -6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.838 -0.407 -4.854 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.611 -1.039 -5.957 1.00 0.00 H new ATOM 1631 N SER A 108 -6.157 -3.843 -2.165 1.00 0.00 N ATOM 1632 CA SER A 108 -6.736 -3.751 -0.830 1.00 0.00 C ATOM 1633 C SER A 108 -7.730 -2.597 -0.747 1.00 0.00 C ATOM 1634 O SER A 108 -7.892 -1.834 -1.699 1.00 0.00 O ATOM 1635 CB SER A 108 -5.634 -3.566 0.215 1.00 0.00 C ATOM 1636 OG SER A 108 -6.069 -3.990 1.495 1.00 0.00 O ATOM 0 H SER A 108 -5.213 -3.465 -2.242 1.00 0.00 H new ATOM 0 HA SER A 108 -7.268 -4.681 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.751 -4.133 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.340 -2.517 0.256 1.00 0.00 H new ATOM 0 HG SER A 108 -5.339 -4.460 1.950 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.394 -2.477 0.399 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.373 -1.416 0.606 1.00 0.00 C ATOM 1644 C GLU A 109 -8.694 -0.050 0.654 1.00 0.00 C ATOM 1645 O GLU A 109 -7.554 0.089 1.098 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.152 -1.657 1.901 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.092 -2.849 1.833 1.00 0.00 C ATOM 1648 CD GLU A 109 -11.983 -2.960 3.055 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -13.061 -2.330 3.063 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -11.601 -3.677 4.003 1.00 0.00 O ATOM 0 H GLU A 109 -8.272 -3.101 1.197 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.067 -1.427 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.446 -1.808 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.729 -0.763 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.713 -2.766 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.507 -3.763 1.730 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.410 0.983 0.187 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.898 2.356 0.166 1.00 0.00 C ATOM 1659 C PRO A 110 -8.772 2.949 1.565 1.00 0.00 C ATOM 1660 O PRO A 110 -9.739 2.981 2.327 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.952 3.115 -0.644 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.204 2.327 -0.471 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.776 0.890 -0.357 1.00 0.00 C ATOM 0 HA PRO A 110 -7.895 2.411 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.073 4.135 -0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.670 3.184 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.745 2.645 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.875 2.468 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.434 0.326 0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.790 0.389 -1.325 1.00 0.00 H new ATOM 1671 N THR A 111 -7.574 3.420 1.898 1.00 0.00 N ATOM 1672 CA THR A 111 -7.322 4.012 3.205 1.00 0.00 C ATOM 1673 C THR A 111 -7.122 5.519 3.097 1.00 0.00 C ATOM 1674 O THR A 111 -6.042 5.987 2.736 1.00 0.00 O ATOM 1675 CB THR A 111 -6.083 3.387 3.875 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.329 2.008 4.170 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.729 4.129 5.155 1.00 0.00 C ATOM 0 H THR A 111 -6.763 3.403 1.280 1.00 0.00 H new ATOM 0 HA THR A 111 -8.199 3.808 3.819 1.00 0.00 H new ATOM 0 HB THR A 111 -5.244 3.466 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.245 1.860 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.851 3.670 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.514 5.172 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.567 4.077 5.850 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.168 6.275 3.413 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.107 7.730 3.351 1.00 0.00 C ATOM 1687 C ARG A 112 -7.314 8.291 4.528 1.00 0.00 C ATOM 1688 O ARG A 112 -7.457 7.833 5.662 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.517 8.321 3.344 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.455 7.649 2.355 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.497 8.622 1.826 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.747 7.950 1.480 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.676 7.623 2.371 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.497 7.905 3.654 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.788 7.013 1.979 1.00 0.00 N ATOM 0 H ARG A 112 -9.069 5.903 3.715 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.600 8.009 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.940 8.241 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.455 9.383 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -9.879 7.244 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.953 6.808 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.693 9.387 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.104 9.132 0.946 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.916 7.719 0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.644 8.374 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.212 7.653 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.930 6.795 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.501 6.762 2.664 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.477 9.285 4.250 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.660 9.909 5.285 1.00 0.00 C ATOM 1711 C LEU A 113 -5.671 11.428 5.145 1.00 0.00 C ATOM 1712 O LEU A 113 -6.180 11.968 4.162 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.224 9.389 5.212 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.051 7.874 5.330 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.651 7.461 4.904 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.336 7.414 6.752 1.00 0.00 C ATOM 0 H LEU A 113 -6.346 9.676 3.317 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.085 9.649 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.790 9.711 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.646 9.863 6.005 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.767 7.393 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.547 6.380 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.484 7.756 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.917 7.951 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.208 6.334 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.645 7.903 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.360 7.675 7.021 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.104 12.112 6.132 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.044 13.569 6.119 1.00 0.00 C ATOM 1730 C LYS A 114 -3.704 14.064 6.654 1.00 0.00 C ATOM 1731 O LYS A 114 -3.212 13.578 7.673 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.186 14.155 6.953 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.490 14.292 6.187 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.385 15.357 6.797 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.029 16.745 6.286 1.00 0.00 C ATOM 1736 NZ LYS A 114 -8.385 16.915 4.850 1.00 0.00 N ATOM 0 H LYS A 114 -4.679 11.680 6.953 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.148 13.902 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.351 13.521 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.888 15.135 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.278 14.545 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.012 13.335 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.426 15.137 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.292 15.333 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.550 17.496 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.961 16.918 6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.319 17.921 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.728 16.363 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.357 16.580 4.691 1.00 0.00 H new ATOM 1750 N THR A 115 -3.117 15.035 5.961 1.00 0.00 N ATOM 1751 CA THR A 115 -1.834 15.595 6.366 1.00 0.00 C ATOM 1752 C THR A 115 -2.021 16.717 7.381 1.00 0.00 C ATOM 1753 O THR A 115 -3.145 17.047 7.756 1.00 0.00 O ATOM 1754 CB THR A 115 -1.051 16.138 5.156 1.00 0.00 C ATOM 1755 OG1 THR A 115 -1.885 17.007 4.382 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.547 14.999 4.282 1.00 0.00 C ATOM 0 H THR A 115 -3.510 15.450 5.116 1.00 0.00 H new ATOM 0 HA THR A 115 -1.265 14.785 6.823 1.00 0.00 H new ATOM 0 HB THR A 115 -0.192 16.697 5.528 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.434 17.229 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.003 15.407 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.112 14.356 4.866 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.394 14.417 3.919 1.00 0.00 H new ATOM 1764 N ASN A 116 -0.911 17.300 7.822 1.00 0.00 N ATOM 1765 CA ASN A 116 -0.952 18.386 8.794 1.00 0.00 C ATOM 1766 C ASN A 116 -0.500 19.700 8.163 1.00 0.00 C ATOM 1767 O ASN A 116 -0.018 19.722 7.030 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.068 18.055 9.998 1.00 0.00 C ATOM 1769 CG ASN A 116 1.384 17.850 9.610 1.00 0.00 C ATOM 1770 OD1 ASN A 116 1.936 18.603 8.808 1.00 0.00 O ATOM 1771 ND2 ASN A 116 2.009 16.826 10.179 1.00 0.00 N ATOM 0 H ASN A 116 0.028 17.038 7.522 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.983 18.500 9.129 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -0.136 18.862 10.728 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.442 17.154 10.483 1.00 0.00 H new ATOM 0 HD21 ASN A 116 2.986 16.638 9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.512 16.228 10.839 1.00 0.00 H new