USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 LYS NZ :NH3+ -175:sc= 0.255 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 150:sc= -2.28! USER MOD Single : A 16 THR OG1 : rot -35:sc= 0.81 USER MOD Single : A 19 SER OG : rot 180:sc=-0.00832 USER MOD Single : A 20 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.019) USER MOD Single : A 28 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -2.96! C(o=-4.9!,f=-3!) USER MOD Single : A 40 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 53 TYR OH : rot -38:sc= -2.46! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 36:sc= -0.0495 USER MOD Single : A 59 THR OG1 : rot -27:sc= 0.0039 USER MOD Single : A 60 SER OG : rot 180:sc=-0.00633 USER MOD Single : A 66 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.2!) USER MOD Single : A 69 ASN : amide:sc= 0.137 K(o=0.14,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 178:sc= -0.534 USER MOD Single : A 71 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 74 SER OG : rot -87:sc= 0.55 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0166 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 110:sc= -1.26 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 90:sc= -0.0345 USER MOD Single : A 103 GLN : amide:sc= -0.654 X(o=-0.65,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -5.666 -24.777 -1.118 1.00 0.00 N ATOM 199 CA THR A 16 -4.824 -23.882 -1.893 1.00 0.00 C ATOM 200 C THR A 16 -5.341 -22.445 -1.795 1.00 0.00 C ATOM 201 O THR A 16 -6.523 -22.223 -1.540 1.00 0.00 O ATOM 202 CB THR A 16 -4.767 -24.410 -3.328 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.089 -24.881 -3.577 1.00 0.00 O ATOM 204 CG2 THR A 16 -3.895 -25.661 -3.457 1.00 0.00 C ATOM 0 HA THR A 16 -3.808 -23.856 -1.500 1.00 0.00 H new ATOM 0 HB THR A 16 -4.384 -23.631 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.458 -25.269 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.889 -25.995 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.877 -25.429 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.298 -26.452 -2.824 1.00 0.00 H new ATOM 212 N PRO A 17 -4.404 -21.482 -2.007 1.00 0.00 N ATOM 213 CA PRO A 17 -4.753 -20.073 -1.945 1.00 0.00 C ATOM 214 C PRO A 17 -5.527 -19.644 -3.193 1.00 0.00 C ATOM 215 O PRO A 17 -5.342 -20.212 -4.268 1.00 0.00 O ATOM 216 CB PRO A 17 -3.427 -19.346 -1.789 1.00 0.00 C ATOM 217 CG PRO A 17 -2.357 -20.330 -2.236 1.00 0.00 C ATOM 218 CD PRO A 17 -2.994 -21.708 -2.311 1.00 0.00 C ATOM 0 HA PRO A 17 -5.420 -19.841 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.404 -18.441 -2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.269 -19.040 -0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.955 -20.042 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.523 -20.332 -1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.868 -22.149 -3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.540 -22.394 -1.596 1.00 0.00 H new ATOM 226 N PRO A 18 -6.400 -18.618 -3.003 1.00 0.00 N ATOM 227 CA PRO A 18 -7.203 -18.107 -4.101 1.00 0.00 C ATOM 228 C PRO A 18 -6.356 -17.256 -5.050 1.00 0.00 C ATOM 229 O PRO A 18 -5.509 -16.483 -4.607 1.00 0.00 O ATOM 230 CB PRO A 18 -8.322 -17.321 -3.437 1.00 0.00 C ATOM 231 CG PRO A 18 -7.845 -17.032 -2.022 1.00 0.00 C ATOM 232 CD PRO A 18 -6.645 -17.922 -1.744 1.00 0.00 C ATOM 0 HA PRO A 18 -7.609 -18.899 -4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.524 -16.396 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.249 -17.894 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.573 -15.982 -1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.641 -17.228 -1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.778 -17.335 -1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.852 -18.625 -0.937 1.00 0.00 H new ATOM 240 N SER A 19 -6.615 -17.428 -6.338 1.00 0.00 N ATOM 241 CA SER A 19 -5.888 -16.686 -7.353 1.00 0.00 C ATOM 242 C SER A 19 -6.590 -15.355 -7.633 1.00 0.00 C ATOM 243 O SER A 19 -6.633 -14.900 -8.774 1.00 0.00 O ATOM 244 CB SER A 19 -5.758 -17.499 -8.642 1.00 0.00 C ATOM 245 OG SER A 19 -6.992 -17.578 -9.350 1.00 0.00 O ATOM 0 H SER A 19 -7.319 -18.071 -6.702 1.00 0.00 H new ATOM 0 HA SER A 19 -4.884 -16.488 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.001 -17.045 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.412 -18.505 -8.403 1.00 0.00 H new ATOM 0 HG SER A 19 -6.867 -18.104 -10.168 1.00 0.00 H new ATOM 251 N GLN A 20 -7.122 -14.769 -6.570 1.00 0.00 N ATOM 252 CA GLN A 20 -7.820 -13.500 -6.687 1.00 0.00 C ATOM 253 C GLN A 20 -7.053 -12.402 -5.947 1.00 0.00 C ATOM 254 O GLN A 20 -7.005 -12.394 -4.718 1.00 0.00 O ATOM 255 CB GLN A 20 -9.254 -13.613 -6.167 1.00 0.00 C ATOM 256 CG GLN A 20 -9.718 -12.294 -5.545 1.00 0.00 C ATOM 257 CD GLN A 20 -11.240 -12.265 -5.392 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.933 -13.237 -5.644 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.718 -11.100 -4.965 1.00 0.00 N ATOM 0 H GLN A 20 -7.084 -15.149 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.871 -13.232 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.920 -13.888 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.314 -14.410 -5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.248 -12.163 -4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.396 -11.460 -6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.081 -10.327 -4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.722 -10.979 -4.830 1.00 0.00 H new ATOM 268 N PRO A 21 -6.456 -11.478 -6.747 1.00 0.00 N ATOM 269 CA PRO A 21 -5.694 -10.379 -6.181 1.00 0.00 C ATOM 270 C PRO A 21 -6.622 -9.317 -5.588 1.00 0.00 C ATOM 271 O PRO A 21 -7.775 -9.194 -5.999 1.00 0.00 O ATOM 272 CB PRO A 21 -4.848 -9.854 -7.330 1.00 0.00 C ATOM 273 CG PRO A 21 -5.505 -10.370 -8.600 1.00 0.00 C ATOM 274 CD PRO A 21 -6.492 -11.456 -8.206 1.00 0.00 C ATOM 0 HA PRO A 21 -5.063 -10.689 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.813 -8.765 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.820 -10.207 -7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.016 -9.561 -9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.755 -10.766 -9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.494 -11.233 -8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.206 -12.421 -8.624 1.00 0.00 H new ATOM 282 N PRO A 22 -6.070 -8.555 -4.605 1.00 0.00 N ATOM 283 CA PRO A 22 -6.835 -7.508 -3.951 1.00 0.00 C ATOM 284 C PRO A 22 -6.983 -6.287 -4.861 1.00 0.00 C ATOM 285 O PRO A 22 -5.992 -5.762 -5.367 1.00 0.00 O ATOM 286 CB PRO A 22 -6.074 -7.205 -2.670 1.00 0.00 C ATOM 287 CG PRO A 22 -4.673 -7.758 -2.878 1.00 0.00 C ATOM 288 CD PRO A 22 -4.708 -8.672 -4.092 1.00 0.00 C ATOM 0 HA PRO A 22 -7.858 -7.812 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.046 -6.133 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.555 -7.672 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.961 -6.947 -3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.345 -8.308 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.976 -8.366 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.474 -9.701 -3.820 1.00 0.00 H new ATOM 296 N GLY A 23 -8.227 -5.871 -5.043 1.00 0.00 N ATOM 297 CA GLY A 23 -8.517 -4.721 -5.883 1.00 0.00 C ATOM 298 C GLY A 23 -8.592 -3.439 -5.052 1.00 0.00 C ATOM 299 O GLY A 23 -8.340 -3.460 -3.848 1.00 0.00 O ATOM 0 H GLY A 23 -9.047 -6.310 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.745 -4.619 -6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.462 -4.876 -6.404 1.00 0.00 H new ATOM 303 N ASN A 24 -8.938 -2.353 -5.728 1.00 0.00 N ATOM 304 CA ASN A 24 -9.049 -1.064 -5.066 1.00 0.00 C ATOM 305 C ASN A 24 -7.762 -0.783 -4.288 1.00 0.00 C ATOM 306 O ASN A 24 -7.788 -0.102 -3.264 1.00 0.00 O ATOM 307 CB ASN A 24 -10.213 -1.052 -4.074 1.00 0.00 C ATOM 308 CG ASN A 24 -10.933 0.298 -4.090 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.981 1.017 -3.105 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.489 0.601 -5.259 1.00 0.00 N ATOM 0 H ASN A 24 -9.145 -2.339 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.220 -0.306 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.916 -1.846 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.842 -1.259 -3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.993 1.481 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.411 -0.046 -6.044 1.00 0.00 H new ATOM 317 N VAL A 25 -6.667 -1.320 -4.805 1.00 0.00 N ATOM 318 CA VAL A 25 -5.372 -1.135 -4.171 1.00 0.00 C ATOM 319 C VAL A 25 -4.944 0.327 -4.313 1.00 0.00 C ATOM 320 O VAL A 25 -4.309 0.699 -5.299 1.00 0.00 O ATOM 321 CB VAL A 25 -4.356 -2.116 -4.761 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.981 -1.934 -4.116 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.841 -3.559 -4.620 1.00 0.00 C ATOM 0 H VAL A 25 -6.649 -1.883 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.433 -1.353 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.259 -1.898 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.278 -2.643 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.628 -0.918 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.056 -2.112 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.100 -4.235 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.981 -3.794 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.788 -3.678 -5.147 1.00 0.00 H new ATOM 333 N VAL A 26 -5.308 1.116 -3.313 1.00 0.00 N ATOM 334 CA VAL A 26 -4.970 2.529 -3.314 1.00 0.00 C ATOM 335 C VAL A 26 -3.901 2.794 -2.252 1.00 0.00 C ATOM 336 O VAL A 26 -3.591 1.917 -1.447 1.00 0.00 O ATOM 337 CB VAL A 26 -6.233 3.370 -3.114 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.298 3.015 -4.153 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.778 3.211 -1.693 1.00 0.00 C ATOM 0 H VAL A 26 -5.834 0.804 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.551 2.821 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.964 4.417 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.185 3.627 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.908 3.203 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.561 1.961 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.675 3.819 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.023 2.164 -1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.024 3.536 -0.976 1.00 0.00 H new ATOM 349 N TRP A 27 -3.367 4.006 -2.285 1.00 0.00 N ATOM 350 CA TRP A 27 -2.340 4.397 -1.335 1.00 0.00 C ATOM 351 C TRP A 27 -2.496 5.894 -1.058 1.00 0.00 C ATOM 352 O TRP A 27 -3.363 6.548 -1.635 1.00 0.00 O ATOM 353 CB TRP A 27 -0.947 4.027 -1.850 1.00 0.00 C ATOM 354 CG TRP A 27 -0.625 4.594 -3.234 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.893 4.052 -4.430 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.041 5.842 -3.518 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.450 4.857 -5.460 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.136 5.980 -4.888 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.547 6.822 -2.646 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.732 7.085 -5.508 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.140 7.920 -3.281 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.243 8.074 -4.659 1.00 0.00 C ATOM 0 H TRP A 27 -3.626 4.730 -2.955 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.457 3.855 -0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.201 4.384 -1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.860 2.941 -1.884 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.393 3.105 -4.570 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.537 4.663 -6.458 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.483 6.735 -1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.794 7.170 -6.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.546 8.702 -2.657 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.715 8.953 -5.073 1.00 0.00 H new ATOM 373 N ASN A 28 -1.643 6.392 -0.175 1.00 0.00 N ATOM 374 CA ASN A 28 -1.676 7.799 0.185 1.00 0.00 C ATOM 375 C ASN A 28 -0.365 8.174 0.879 1.00 0.00 C ATOM 376 O ASN A 28 0.352 7.305 1.372 1.00 0.00 O ATOM 377 CB ASN A 28 -2.824 8.093 1.153 1.00 0.00 C ATOM 378 CG ASN A 28 -4.145 8.265 0.401 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.290 9.109 -0.468 1.00 0.00 O ATOM 380 ND2 ASN A 28 -5.098 7.419 0.782 1.00 0.00 N ATOM 0 H ASN A 28 -0.925 5.846 0.302 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.817 8.378 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.915 7.280 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.604 8.998 1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.017 7.453 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.910 6.736 1.516 1.00 0.00 H new ATOM 387 N ALA A 29 -0.091 9.471 0.894 1.00 0.00 N ATOM 388 CA ALA A 29 1.122 9.972 1.519 1.00 0.00 C ATOM 389 C ALA A 29 0.796 11.239 2.311 1.00 0.00 C ATOM 390 O ALA A 29 0.287 12.210 1.753 1.00 0.00 O ATOM 391 CB ALA A 29 2.187 10.212 0.447 1.00 0.00 C ATOM 0 H ALA A 29 -0.688 10.189 0.484 1.00 0.00 H new ATOM 0 HA ALA A 29 1.524 9.240 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.097 10.588 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.404 9.275 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.820 10.944 -0.273 1.00 0.00 H new ATOM 397 N THR A 30 1.103 11.189 3.599 1.00 0.00 N ATOM 398 CA THR A 30 0.849 12.322 4.473 1.00 0.00 C ATOM 399 C THR A 30 1.861 12.348 5.620 1.00 0.00 C ATOM 400 O THR A 30 2.533 11.351 5.882 1.00 0.00 O ATOM 401 CB THR A 30 -0.604 12.237 4.947 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.740 13.334 5.846 1.00 0.00 O ATOM 403 CG2 THR A 30 -0.865 11.007 5.818 1.00 0.00 C ATOM 0 H THR A 30 1.525 10.382 4.058 1.00 0.00 H new ATOM 0 HA THR A 30 0.979 13.266 3.944 1.00 0.00 H new ATOM 0 HB THR A 30 -1.267 12.216 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.654 13.356 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.910 10.995 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.645 10.104 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.226 11.044 6.700 1.00 0.00 H new ATOM 411 N ASP A 31 1.939 13.498 6.272 1.00 0.00 N ATOM 412 CA ASP A 31 2.858 13.667 7.385 1.00 0.00 C ATOM 413 C ASP A 31 4.225 13.096 7.003 1.00 0.00 C ATOM 414 O ASP A 31 5.046 13.789 6.404 1.00 0.00 O ATOM 415 CB ASP A 31 2.364 12.921 8.626 1.00 0.00 C ATOM 416 CG ASP A 31 1.274 13.641 9.422 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.466 14.848 9.684 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.273 12.968 9.750 1.00 0.00 O ATOM 0 H ASP A 31 1.381 14.323 6.051 1.00 0.00 H new ATOM 0 HA ASP A 31 2.925 14.732 7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.985 11.946 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.214 12.739 9.284 1.00 0.00 H new ATOM 423 N THR A 32 4.427 11.838 7.365 1.00 0.00 N ATOM 424 CA THR A 32 5.680 11.165 7.067 1.00 0.00 C ATOM 425 C THR A 32 5.479 9.649 7.042 1.00 0.00 C ATOM 426 O THR A 32 6.293 8.902 7.583 1.00 0.00 O ATOM 427 CB THR A 32 6.718 11.623 8.094 1.00 0.00 C ATOM 428 OG1 THR A 32 6.092 11.383 9.351 1.00 0.00 O ATOM 429 CG2 THR A 32 6.937 13.137 8.070 1.00 0.00 C ATOM 0 H THR A 32 3.744 11.267 7.862 1.00 0.00 H new ATOM 0 HA THR A 32 6.044 11.429 6.074 1.00 0.00 H new ATOM 0 HB THR A 32 7.664 11.116 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.697 11.650 10.074 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.682 13.409 8.817 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.286 13.438 7.083 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.998 13.644 8.293 1.00 0.00 H new ATOM 437 N LYS A 33 4.390 9.239 6.408 1.00 0.00 N ATOM 438 CA LYS A 33 4.071 7.825 6.305 1.00 0.00 C ATOM 439 C LYS A 33 3.250 7.583 5.037 1.00 0.00 C ATOM 440 O LYS A 33 2.773 8.529 4.412 1.00 0.00 O ATOM 441 CB LYS A 33 3.388 7.335 7.584 1.00 0.00 C ATOM 442 CG LYS A 33 2.011 7.982 7.752 1.00 0.00 C ATOM 443 CD LYS A 33 1.302 7.446 8.997 1.00 0.00 C ATOM 444 CE LYS A 33 1.143 8.543 10.052 1.00 0.00 C ATOM 445 NZ LYS A 33 1.197 7.964 11.413 1.00 0.00 N ATOM 0 H LYS A 33 3.717 9.862 5.960 1.00 0.00 H new ATOM 0 HA LYS A 33 4.982 7.234 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.283 6.251 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.012 7.569 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.120 9.064 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.402 7.785 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.322 7.056 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.870 6.615 9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.932 9.286 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.194 9.060 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.088 8.722 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.429 7.272 11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.113 7.491 11.553 1.00 0.00 H new ATOM 459 N VAL A 34 3.110 6.310 4.695 1.00 0.00 N ATOM 460 CA VAL A 34 2.355 5.932 3.513 1.00 0.00 C ATOM 461 C VAL A 34 1.222 4.986 3.918 1.00 0.00 C ATOM 462 O VAL A 34 1.472 3.855 4.332 1.00 0.00 O ATOM 463 CB VAL A 34 3.291 5.329 2.465 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.503 4.554 1.406 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.160 6.410 1.819 1.00 0.00 C ATOM 0 H VAL A 34 3.507 5.528 5.216 1.00 0.00 H new ATOM 0 HA VAL A 34 1.898 6.809 3.055 1.00 0.00 H new ATOM 0 HB VAL A 34 3.952 4.626 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.193 4.136 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.948 3.747 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.806 5.227 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.816 5.954 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.522 7.148 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.762 6.899 2.585 1.00 0.00 H new ATOM 475 N LEU A 35 0.002 5.484 3.785 1.00 0.00 N ATOM 476 CA LEU A 35 -1.170 4.697 4.131 1.00 0.00 C ATOM 477 C LEU A 35 -1.625 3.902 2.907 1.00 0.00 C ATOM 478 O LEU A 35 -1.829 4.469 1.834 1.00 0.00 O ATOM 479 CB LEU A 35 -2.260 5.592 4.724 1.00 0.00 C ATOM 480 CG LEU A 35 -1.800 6.603 5.776 1.00 0.00 C ATOM 481 CD1 LEU A 35 -0.972 5.921 6.867 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.045 7.765 5.126 1.00 0.00 C ATOM 0 H LEU A 35 -0.201 6.423 3.442 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.927 3.973 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.738 6.137 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.023 4.954 5.171 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.684 7.022 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.658 6.662 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.575 5.157 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.092 5.458 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.729 8.469 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.169 7.382 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.699 8.272 4.416 1.00 0.00 H new ATOM 494 N LEU A 36 -1.771 2.600 3.107 1.00 0.00 N ATOM 495 CA LEU A 36 -2.199 1.721 2.032 1.00 0.00 C ATOM 496 C LEU A 36 -3.637 1.267 2.292 1.00 0.00 C ATOM 497 O LEU A 36 -4.066 1.180 3.441 1.00 0.00 O ATOM 498 CB LEU A 36 -1.211 0.565 1.859 1.00 0.00 C ATOM 499 CG LEU A 36 0.236 0.960 1.557 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.072 -0.266 1.183 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.295 2.044 0.479 1.00 0.00 C ATOM 0 H LEU A 36 -1.600 2.133 3.998 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.199 2.254 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.221 -0.035 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.568 -0.075 1.052 1.00 0.00 H new ATOM 0 HG LEU A 36 0.671 1.383 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.096 0.042 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.069 -0.975 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.647 -0.740 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.335 2.306 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.164 1.672 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.244 2.927 0.821 1.00 0.00 H new ATOM 513 N ASN A 37 -4.342 0.990 1.204 1.00 0.00 N ATOM 514 CA ASN A 37 -5.722 0.547 1.300 1.00 0.00 C ATOM 515 C ASN A 37 -6.083 -0.257 0.050 1.00 0.00 C ATOM 516 O ASN A 37 -5.914 0.221 -1.071 1.00 0.00 O ATOM 517 CB ASN A 37 -6.678 1.738 1.388 1.00 0.00 C ATOM 518 CG ASN A 37 -6.024 2.913 2.119 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.023 3.477 1.450 1.00 0.00 O flip ATOM 520 ND2 ASN A 37 -6.404 3.282 3.218 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.983 1.064 0.252 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.819 -0.061 2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.973 2.047 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.588 1.441 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.180 2.804 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.946 4.069 3.678 1.00 0.00 H new ATOM 527 N TRP A 38 -6.573 -1.466 0.284 1.00 0.00 N ATOM 528 CA TRP A 38 -6.960 -2.341 -0.810 1.00 0.00 C ATOM 529 C TRP A 38 -8.175 -3.154 -0.358 1.00 0.00 C ATOM 530 O TRP A 38 -8.355 -3.398 0.834 1.00 0.00 O ATOM 531 CB TRP A 38 -5.786 -3.217 -1.252 1.00 0.00 C ATOM 532 CG TRP A 38 -5.237 -4.125 -0.149 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.629 -5.366 0.169 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.173 -3.810 0.774 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.899 -5.872 1.225 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.986 -4.896 1.605 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.395 -2.646 0.902 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.024 -4.926 2.622 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.439 -2.692 1.924 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.238 -3.777 2.769 1.00 0.00 C ATOM 0 H TRP A 38 -6.711 -1.860 1.215 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.237 -1.760 -1.689 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.103 -3.834 -2.092 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.983 -2.575 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.417 -5.903 -0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.009 -6.793 1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.524 -1.785 0.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.895 -5.789 3.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.814 -1.823 2.066 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.479 -3.734 3.536 1.00 0.00 H new ATOM 551 N GLU A 39 -8.978 -3.550 -1.335 1.00 0.00 N ATOM 552 CA GLU A 39 -10.171 -4.329 -1.053 1.00 0.00 C ATOM 553 C GLU A 39 -9.792 -5.672 -0.426 1.00 0.00 C ATOM 554 O GLU A 39 -8.610 -5.973 -0.261 1.00 0.00 O ATOM 555 CB GLU A 39 -11.006 -4.532 -2.319 1.00 0.00 C ATOM 556 CG GLU A 39 -12.366 -3.842 -2.196 1.00 0.00 C ATOM 557 CD GLU A 39 -13.473 -4.860 -1.916 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.750 -5.664 -2.833 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.018 -4.812 -0.792 1.00 0.00 O ATOM 0 H GLU A 39 -8.825 -3.346 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.782 -3.776 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.469 -4.135 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.150 -5.598 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.333 -3.105 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.588 -3.301 -3.116 1.00 0.00 H new ATOM 566 N GLN A 40 -10.816 -6.445 -0.094 1.00 0.00 N ATOM 567 CA GLN A 40 -10.605 -7.749 0.511 1.00 0.00 C ATOM 568 C GLN A 40 -10.687 -8.846 -0.551 1.00 0.00 C ATOM 569 O GLN A 40 -11.178 -8.612 -1.654 1.00 0.00 O ATOM 570 CB GLN A 40 -11.609 -7.999 1.638 1.00 0.00 C ATOM 571 CG GLN A 40 -13.033 -7.668 1.187 1.00 0.00 C ATOM 572 CD GLN A 40 -14.063 -8.209 2.181 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.775 -9.052 3.015 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.275 -7.679 2.047 1.00 0.00 N ATOM 0 H GLN A 40 -11.795 -6.193 -0.233 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.607 -7.768 0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.556 -9.041 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.348 -7.391 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.146 -6.588 1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.215 -8.096 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.448 -6.977 1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.032 -7.974 2.664 1.00 0.00 H new ATOM 583 N VAL A 41 -10.199 -10.021 -0.181 1.00 0.00 N ATOM 584 CA VAL A 41 -10.212 -11.156 -1.089 1.00 0.00 C ATOM 585 C VAL A 41 -10.958 -12.320 -0.433 1.00 0.00 C ATOM 586 O VAL A 41 -10.540 -12.821 0.610 1.00 0.00 O ATOM 587 CB VAL A 41 -8.781 -11.516 -1.496 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.695 -12.969 -1.969 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.259 -10.558 -2.568 1.00 0.00 C ATOM 0 H VAL A 41 -9.792 -10.212 0.735 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.744 -10.905 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.146 -11.412 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.668 -13.199 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.007 -13.633 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.349 -13.111 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.241 -10.836 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.898 -10.615 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.266 -9.539 -2.180 1.00 0.00 H new ATOM 599 N LYS A 42 -12.049 -12.716 -1.071 1.00 0.00 N ATOM 600 CA LYS A 42 -12.857 -13.812 -0.563 1.00 0.00 C ATOM 601 C LYS A 42 -12.765 -14.997 -1.526 1.00 0.00 C ATOM 602 O LYS A 42 -13.208 -14.909 -2.670 1.00 0.00 O ATOM 603 CB LYS A 42 -14.290 -13.343 -0.300 1.00 0.00 C ATOM 604 CG LYS A 42 -14.429 -12.772 1.112 1.00 0.00 C ATOM 605 CD LYS A 42 -15.890 -12.453 1.433 1.00 0.00 C ATOM 606 CE LYS A 42 -16.317 -13.102 2.751 1.00 0.00 C ATOM 607 NZ LYS A 42 -16.929 -14.426 2.502 1.00 0.00 N ATOM 0 H LYS A 42 -12.393 -12.298 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.475 -14.153 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.568 -12.585 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.979 -14.178 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.042 -13.488 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.827 -11.868 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.025 -11.373 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.529 -12.808 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.453 -13.212 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.028 -12.457 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.213 -14.853 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.766 -14.313 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.239 -15.044 2.029 1.00 0.00 H new ATOM 621 N ALA A 43 -12.186 -16.080 -1.027 1.00 0.00 N ATOM 622 CA ALA A 43 -12.030 -17.282 -1.829 1.00 0.00 C ATOM 623 C ALA A 43 -13.393 -17.952 -2.006 1.00 0.00 C ATOM 624 O ALA A 43 -14.408 -17.437 -1.539 1.00 0.00 O ATOM 625 CB ALA A 43 -11.007 -18.207 -1.167 1.00 0.00 C ATOM 0 H ALA A 43 -11.819 -16.150 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.653 -17.035 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.889 -19.109 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.048 -17.694 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.353 -18.478 -0.170 1.00 0.00 H new ATOM 677 N GLU A 47 -11.584 -23.220 -2.127 1.00 0.00 N ATOM 678 CA GLU A 47 -10.308 -22.556 -1.925 1.00 0.00 C ATOM 679 C GLU A 47 -10.144 -22.155 -0.457 1.00 0.00 C ATOM 680 O GLU A 47 -11.060 -22.335 0.344 1.00 0.00 O ATOM 681 CB GLU A 47 -10.170 -21.341 -2.844 1.00 0.00 C ATOM 682 CG GLU A 47 -9.802 -21.768 -4.266 1.00 0.00 C ATOM 683 CD GLU A 47 -8.544 -21.042 -4.749 1.00 0.00 C ATOM 684 OE1 GLU A 47 -7.516 -21.161 -4.047 1.00 0.00 O ATOM 685 OE2 GLU A 47 -8.639 -20.385 -5.808 1.00 0.00 O ATOM 0 HA GLU A 47 -9.513 -23.256 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.107 -20.784 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.406 -20.670 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.638 -22.845 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.631 -21.553 -4.940 1.00 0.00 H new ATOM 692 N SER A 48 -8.972 -21.620 -0.151 1.00 0.00 N ATOM 693 CA SER A 48 -8.676 -21.193 1.206 1.00 0.00 C ATOM 694 C SER A 48 -8.941 -19.693 1.352 1.00 0.00 C ATOM 695 O SER A 48 -8.370 -18.884 0.621 1.00 0.00 O ATOM 696 CB SER A 48 -7.229 -21.515 1.583 1.00 0.00 C ATOM 697 OG SER A 48 -7.108 -22.799 2.189 1.00 0.00 O ATOM 0 H SER A 48 -8.216 -21.472 -0.819 1.00 0.00 H new ATOM 0 HA SER A 48 -9.330 -21.740 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.604 -21.475 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.855 -20.754 2.268 1.00 0.00 H new ATOM 0 HG SER A 48 -6.169 -22.968 2.413 1.00 0.00 H new ATOM 703 N GLU A 49 -9.808 -19.366 2.299 1.00 0.00 N ATOM 704 CA GLU A 49 -10.156 -17.978 2.550 1.00 0.00 C ATOM 705 C GLU A 49 -8.916 -17.189 2.974 1.00 0.00 C ATOM 706 O GLU A 49 -7.903 -17.774 3.355 1.00 0.00 O ATOM 707 CB GLU A 49 -11.261 -17.871 3.602 1.00 0.00 C ATOM 708 CG GLU A 49 -10.692 -18.037 5.013 1.00 0.00 C ATOM 709 CD GLU A 49 -11.705 -18.717 5.936 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.708 -18.048 6.268 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.454 -19.889 6.290 1.00 0.00 O ATOM 0 H GLU A 49 -10.280 -20.039 2.902 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.539 -17.546 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.757 -16.904 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.018 -18.634 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.777 -18.628 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.423 -17.061 5.418 1.00 0.00 H new ATOM 718 N VAL A 50 -9.036 -15.871 2.893 1.00 0.00 N ATOM 719 CA VAL A 50 -7.937 -14.996 3.264 1.00 0.00 C ATOM 720 C VAL A 50 -8.031 -14.670 4.756 1.00 0.00 C ATOM 721 O VAL A 50 -9.092 -14.285 5.245 1.00 0.00 O ATOM 722 CB VAL A 50 -7.941 -13.748 2.378 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.902 -12.732 2.858 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.711 -14.116 0.911 1.00 0.00 C ATOM 0 H VAL A 50 -9.877 -15.389 2.576 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.981 -15.493 3.100 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.924 -13.284 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.925 -11.855 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.130 -12.435 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.910 -13.182 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.719 -13.211 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.747 -14.614 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.503 -14.785 0.575 1.00 0.00 H new ATOM 734 N THR A 51 -6.907 -14.837 5.437 1.00 0.00 N ATOM 735 CA THR A 51 -6.850 -14.565 6.863 1.00 0.00 C ATOM 736 C THR A 51 -5.940 -13.367 7.142 1.00 0.00 C ATOM 737 O THR A 51 -5.868 -12.887 8.272 1.00 0.00 O ATOM 738 CB THR A 51 -6.402 -15.846 7.570 1.00 0.00 C ATOM 739 OG1 THR A 51 -5.212 -16.224 6.884 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.359 -17.014 7.328 1.00 0.00 C ATOM 0 H THR A 51 -6.029 -15.157 5.028 1.00 0.00 H new ATOM 0 HA THR A 51 -7.829 -14.286 7.252 1.00 0.00 H new ATOM 0 HB THR A 51 -6.321 -15.659 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.853 -17.046 7.280 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.994 -17.898 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.350 -16.755 7.700 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.415 -17.223 6.260 1.00 0.00 H new ATOM 748 N GLY A 52 -5.267 -12.919 6.092 1.00 0.00 N ATOM 749 CA GLY A 52 -4.365 -11.786 6.209 1.00 0.00 C ATOM 750 C GLY A 52 -3.815 -11.379 4.841 1.00 0.00 C ATOM 751 O GLY A 52 -4.330 -11.806 3.809 1.00 0.00 O ATOM 0 H GLY A 52 -5.328 -13.320 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.890 -10.944 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.541 -12.040 6.875 1.00 0.00 H new ATOM 755 N TYR A 53 -2.775 -10.559 4.877 1.00 0.00 N ATOM 756 CA TYR A 53 -2.149 -10.089 3.652 1.00 0.00 C ATOM 757 C TYR A 53 -0.684 -9.719 3.892 1.00 0.00 C ATOM 758 O TYR A 53 -0.257 -9.572 5.036 1.00 0.00 O ATOM 759 CB TYR A 53 -2.919 -8.833 3.240 1.00 0.00 C ATOM 760 CG TYR A 53 -4.292 -9.118 2.627 1.00 0.00 C ATOM 761 CD1 TYR A 53 -4.416 -9.301 1.265 1.00 0.00 C ATOM 762 CD2 TYR A 53 -5.407 -9.192 3.437 1.00 0.00 C ATOM 763 CE1 TYR A 53 -5.708 -9.570 0.689 1.00 0.00 C ATOM 764 CE2 TYR A 53 -6.699 -9.461 2.861 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.786 -9.636 1.515 1.00 0.00 C ATOM 766 OH TYR A 53 -8.006 -9.889 0.971 1.00 0.00 O ATOM 0 H TYR A 53 -2.350 -10.208 5.735 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.174 -10.864 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.048 -8.195 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.321 -8.272 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.544 -9.242 0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.310 -9.048 4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.818 -9.716 -0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.579 -9.522 3.484 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.084 -9.424 0.112 1.00 0.00 H new ATOM 776 N LYS A 54 0.045 -9.579 2.795 1.00 0.00 N ATOM 777 CA LYS A 54 1.453 -9.228 2.872 1.00 0.00 C ATOM 778 C LYS A 54 1.722 -8.018 1.976 1.00 0.00 C ATOM 779 O LYS A 54 1.486 -8.069 0.770 1.00 0.00 O ATOM 780 CB LYS A 54 2.325 -10.442 2.545 1.00 0.00 C ATOM 781 CG LYS A 54 2.339 -11.437 3.707 1.00 0.00 C ATOM 782 CD LYS A 54 3.406 -12.513 3.496 1.00 0.00 C ATOM 783 CE LYS A 54 3.706 -13.251 4.801 1.00 0.00 C ATOM 784 NZ LYS A 54 5.005 -13.955 4.712 1.00 0.00 N ATOM 0 H LYS A 54 -0.313 -9.702 1.848 1.00 0.00 H new ATOM 0 HA LYS A 54 1.719 -8.937 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.950 -10.932 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.342 -10.116 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.531 -10.908 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.359 -11.905 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.067 -13.223 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.319 -12.055 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.725 -12.543 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.911 -13.967 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.193 -14.451 5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.974 -14.644 3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.762 -13.265 4.533 1.00 0.00 H new ATOM 798 N VAL A 55 2.213 -6.957 2.600 1.00 0.00 N ATOM 799 CA VAL A 55 2.517 -5.736 1.874 1.00 0.00 C ATOM 800 C VAL A 55 3.985 -5.756 1.443 1.00 0.00 C ATOM 801 O VAL A 55 4.876 -5.497 2.250 1.00 0.00 O ATOM 802 CB VAL A 55 2.161 -4.517 2.729 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.344 -3.220 1.937 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.737 -4.629 3.277 1.00 0.00 C ATOM 0 H VAL A 55 2.408 -6.918 3.600 1.00 0.00 H new ATOM 0 HA VAL A 55 1.914 -5.669 0.969 1.00 0.00 H new ATOM 0 HB VAL A 55 2.845 -4.491 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.085 -2.369 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.383 -3.132 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.695 -3.234 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.509 -3.751 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.032 -4.692 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.654 -5.524 3.893 1.00 0.00 H new ATOM 814 N PHE A 56 4.190 -6.065 0.172 1.00 0.00 N ATOM 815 CA PHE A 56 5.535 -6.123 -0.377 1.00 0.00 C ATOM 816 C PHE A 56 5.966 -4.757 -0.914 1.00 0.00 C ATOM 817 O PHE A 56 5.582 -4.370 -2.016 1.00 0.00 O ATOM 818 CB PHE A 56 5.505 -7.126 -1.531 1.00 0.00 C ATOM 819 CG PHE A 56 5.500 -8.589 -1.085 1.00 0.00 C ATOM 820 CD1 PHE A 56 6.672 -9.217 -0.799 1.00 0.00 C ATOM 821 CD2 PHE A 56 4.323 -9.262 -0.974 1.00 0.00 C ATOM 822 CE1 PHE A 56 6.667 -10.575 -0.384 1.00 0.00 C ATOM 823 CE2 PHE A 56 4.318 -10.620 -0.559 1.00 0.00 C ATOM 824 CZ PHE A 56 5.490 -11.248 -0.273 1.00 0.00 C ATOM 0 H PHE A 56 3.448 -6.278 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 56 6.241 -6.418 0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.619 -6.939 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.371 -6.955 -2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.606 -8.683 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.392 -8.763 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.598 -11.074 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.384 -11.154 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.486 -12.281 0.042 1.00 0.00 H new ATOM 834 N TYR A 57 6.760 -4.064 -0.110 1.00 0.00 N ATOM 835 CA TYR A 57 7.248 -2.749 -0.492 1.00 0.00 C ATOM 836 C TYR A 57 8.744 -2.790 -0.808 1.00 0.00 C ATOM 837 O TYR A 57 9.519 -3.408 -0.079 1.00 0.00 O ATOM 838 CB TYR A 57 7.020 -1.847 0.722 1.00 0.00 C ATOM 839 CG TYR A 57 7.491 -2.452 2.046 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.634 -3.239 2.789 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.773 -2.212 2.497 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.078 -3.809 4.034 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.217 -2.782 3.742 1.00 0.00 C ATOM 844 CZ TYR A 57 8.347 -3.553 4.450 1.00 0.00 C ATOM 845 OH TYR A 57 8.767 -4.091 5.626 1.00 0.00 O ATOM 0 H TYR A 57 7.077 -4.388 0.804 1.00 0.00 H new ATOM 0 HA TYR A 57 6.731 -2.391 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.539 -0.902 0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.957 -1.618 0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.631 -3.427 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.443 -1.596 1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.418 -4.426 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.218 -2.602 4.106 1.00 0.00 H new ATOM 0 HH TYR A 57 8.372 -4.981 5.738 1.00 0.00 H new ATOM 855 N ARG A 58 9.105 -2.125 -1.895 1.00 0.00 N ATOM 856 CA ARG A 58 10.495 -2.077 -2.316 1.00 0.00 C ATOM 857 C ARG A 58 10.734 -0.867 -3.221 1.00 0.00 C ATOM 858 O ARG A 58 9.969 -0.623 -4.153 1.00 0.00 O ATOM 859 CB ARG A 58 10.887 -3.352 -3.066 1.00 0.00 C ATOM 860 CG ARG A 58 9.763 -3.806 -3.999 1.00 0.00 C ATOM 861 CD ARG A 58 10.322 -4.576 -5.197 1.00 0.00 C ATOM 862 NE ARG A 58 10.734 -3.630 -6.259 1.00 0.00 N ATOM 863 CZ ARG A 58 11.237 -4.004 -7.443 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.394 -5.304 -7.725 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.584 -3.076 -8.346 1.00 0.00 N ATOM 0 H ARG A 58 8.459 -1.615 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 58 11.110 -1.992 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.794 -3.174 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.114 -4.143 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.063 -4.437 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.203 -2.939 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.174 -5.180 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.568 -5.263 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 58 10.628 -2.632 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.130 -6.010 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.777 -5.588 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.465 -2.086 -8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.967 -3.360 -9.248 1.00 0.00 H new ATOM 879 N THR A 59 11.800 -0.141 -2.915 1.00 0.00 N ATOM 880 CA THR A 59 12.149 1.038 -3.689 1.00 0.00 C ATOM 881 C THR A 59 12.399 0.662 -5.150 1.00 0.00 C ATOM 882 O THR A 59 12.529 -0.517 -5.478 1.00 0.00 O ATOM 883 CB THR A 59 13.353 1.704 -3.018 1.00 0.00 C ATOM 884 OG1 THR A 59 12.932 1.907 -1.672 1.00 0.00 O ATOM 885 CG2 THR A 59 13.609 3.118 -3.546 1.00 0.00 C ATOM 0 H THR A 59 12.433 -0.347 -2.142 1.00 0.00 H new ATOM 0 HA THR A 59 11.330 1.756 -3.707 1.00 0.00 H new ATOM 0 HB THR A 59 14.241 1.091 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.956 1.990 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.473 3.545 -3.038 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.802 3.077 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.734 3.740 -3.359 1.00 0.00 H new ATOM 893 N SER A 60 12.460 1.685 -5.990 1.00 0.00 N ATOM 894 CA SER A 60 12.692 1.476 -7.409 1.00 0.00 C ATOM 895 C SER A 60 14.033 0.772 -7.621 1.00 0.00 C ATOM 896 O SER A 60 15.081 1.416 -7.641 1.00 0.00 O ATOM 897 CB SER A 60 12.662 2.801 -8.173 1.00 0.00 C ATOM 898 OG SER A 60 13.416 2.739 -9.380 1.00 0.00 O ATOM 0 H SER A 60 12.353 2.661 -5.715 1.00 0.00 H new ATOM 0 HA SER A 60 11.892 0.846 -7.797 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.629 3.063 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.058 3.594 -7.539 1.00 0.00 H new ATOM 0 HG SER A 60 13.370 3.604 -9.839 1.00 0.00 H new ATOM 960 N VAL A 65 12.480 -7.737 -2.017 1.00 0.00 N ATOM 961 CA VAL A 65 11.471 -6.853 -1.458 1.00 0.00 C ATOM 962 C VAL A 65 11.198 -7.251 -0.006 1.00 0.00 C ATOM 963 O VAL A 65 11.551 -8.351 0.416 1.00 0.00 O ATOM 964 CB VAL A 65 10.214 -6.875 -2.330 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.758 -8.311 -2.599 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.091 -6.053 -1.695 1.00 0.00 C ATOM 0 HA VAL A 65 11.828 -5.823 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 65 10.463 -6.418 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.863 -8.298 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.550 -8.854 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.536 -8.805 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.210 -6.086 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.845 -6.467 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.417 -5.019 -1.579 1.00 0.00 H new ATOM 976 N GLN A 66 10.572 -6.335 0.718 1.00 0.00 N ATOM 977 CA GLN A 66 10.247 -6.577 2.113 1.00 0.00 C ATOM 978 C GLN A 66 8.810 -7.086 2.244 1.00 0.00 C ATOM 979 O GLN A 66 8.092 -7.188 1.251 1.00 0.00 O ATOM 980 CB GLN A 66 10.461 -5.316 2.952 1.00 0.00 C ATOM 981 CG GLN A 66 11.926 -5.177 3.370 1.00 0.00 C ATOM 982 CD GLN A 66 12.596 -4.011 2.639 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.225 -2.858 2.785 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.600 -4.376 1.847 1.00 0.00 N ATOM 0 H GLN A 66 10.281 -5.424 0.364 1.00 0.00 H new ATOM 0 HA GLN A 66 10.919 -7.346 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.158 -4.439 2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.828 -5.353 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.987 -5.019 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.460 -6.102 3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.858 -5.360 1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.112 -3.672 1.315 1.00 0.00 H new ATOM 993 N VAL A 67 8.434 -7.392 3.477 1.00 0.00 N ATOM 994 CA VAL A 67 7.096 -7.888 3.750 1.00 0.00 C ATOM 995 C VAL A 67 6.594 -7.290 5.065 1.00 0.00 C ATOM 996 O VAL A 67 7.375 -7.070 5.990 1.00 0.00 O ATOM 997 CB VAL A 67 7.095 -9.418 3.750 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.765 -9.965 4.272 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.405 -9.967 2.356 1.00 0.00 C ATOM 0 H VAL A 67 9.033 -7.306 4.298 1.00 0.00 H new ATOM 0 HA VAL A 67 6.406 -7.576 2.966 1.00 0.00 H new ATOM 0 HB VAL A 67 7.883 -9.754 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.791 -11.055 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.603 -9.615 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.953 -9.615 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.398 -11.057 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.651 -9.617 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.388 -9.619 2.038 1.00 0.00 H new ATOM 1009 N LEU A 68 5.293 -7.042 5.107 1.00 0.00 N ATOM 1010 CA LEU A 68 4.677 -6.473 6.294 1.00 0.00 C ATOM 1011 C LEU A 68 3.408 -7.259 6.631 1.00 0.00 C ATOM 1012 O LEU A 68 2.486 -7.334 5.821 1.00 0.00 O ATOM 1013 CB LEU A 68 4.440 -4.973 6.108 1.00 0.00 C ATOM 1014 CG LEU A 68 3.189 -4.404 6.779 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.470 -3.028 7.387 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.011 -4.368 5.802 1.00 0.00 C ATOM 0 H LEU A 68 4.648 -7.225 4.338 1.00 0.00 H new ATOM 0 HA LEU A 68 5.345 -6.563 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.309 -4.438 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.382 -4.764 5.040 1.00 0.00 H new ATOM 0 HG LEU A 68 2.909 -5.067 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.564 -2.646 7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.258 -3.115 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.788 -2.342 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.134 -3.959 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.266 -3.740 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.793 -5.379 5.457 1.00 0.00 H new ATOM 1028 N ASN A 69 3.402 -7.825 7.830 1.00 0.00 N ATOM 1029 CA ASN A 69 2.262 -8.602 8.284 1.00 0.00 C ATOM 1030 C ASN A 69 1.119 -7.654 8.655 1.00 0.00 C ATOM 1031 O ASN A 69 1.295 -6.755 9.476 1.00 0.00 O ATOM 1032 CB ASN A 69 2.615 -9.424 9.525 1.00 0.00 C ATOM 1033 CG ASN A 69 3.981 -10.096 9.367 1.00 0.00 C ATOM 1034 OD1 ASN A 69 5.024 -9.485 9.531 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.916 -11.383 9.041 1.00 0.00 N ATOM 0 H ASN A 69 4.168 -7.760 8.500 1.00 0.00 H new ATOM 0 HA ASN A 69 1.969 -9.274 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.623 -8.778 10.403 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.850 -10.182 9.693 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.773 -11.921 8.913 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.009 -11.833 8.919 1.00 0.00 H new ATOM 1042 N THR A 70 -0.027 -7.888 8.032 1.00 0.00 N ATOM 1043 CA THR A 70 -1.198 -7.066 8.286 1.00 0.00 C ATOM 1044 C THR A 70 -2.463 -7.926 8.283 1.00 0.00 C ATOM 1045 O THR A 70 -2.672 -8.726 7.373 1.00 0.00 O ATOM 1046 CB THR A 70 -1.223 -5.944 7.245 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.432 -5.242 7.522 1.00 0.00 O ATOM 1048 CG2 THR A 70 -1.415 -6.471 5.822 1.00 0.00 C ATOM 0 H THR A 70 -0.169 -8.635 7.352 1.00 0.00 H new ATOM 0 HA THR A 70 -1.155 -6.610 9.275 1.00 0.00 H new ATOM 0 HB THR A 70 -0.294 -5.376 7.299 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.515 -4.480 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.426 -5.635 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.596 -7.145 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.361 -7.009 5.758 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.274 -7.731 9.313 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.513 -8.479 9.441 1.00 0.00 C ATOM 1058 C ASN A 71 -5.665 -7.652 8.865 1.00 0.00 C ATOM 1059 O ASN A 71 -6.786 -8.143 8.743 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.830 -8.773 10.909 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.198 -10.093 11.353 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -3.453 -10.730 10.626 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -4.535 -10.467 12.583 1.00 0.00 N ATOM 0 H ASN A 71 -3.097 -7.066 10.066 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.396 -9.419 8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.460 -7.960 11.534 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.910 -8.817 11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.165 -11.334 12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.164 -9.887 13.138 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.348 -6.411 8.526 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.342 -5.512 7.966 1.00 0.00 C ATOM 1072 C LYS A 72 -6.152 -5.429 6.450 1.00 0.00 C ATOM 1073 O LYS A 72 -5.186 -5.969 5.911 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.291 -4.153 8.667 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.845 -3.720 8.918 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.739 -2.197 9.021 1.00 0.00 C ATOM 1077 CE LYS A 72 -4.127 -1.779 10.359 1.00 0.00 C ATOM 1078 NZ LYS A 72 -5.154 -1.795 11.426 1.00 0.00 N ATOM 0 H LYS A 72 -4.417 -6.007 8.628 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.346 -5.898 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.798 -3.406 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.828 -4.208 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.479 -4.177 9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.209 -4.079 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.128 -1.815 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.728 -1.752 8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.312 -2.454 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.698 -0.781 10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.722 -1.509 12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.918 -1.133 11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.544 -2.755 11.518 1.00 0.00 H new ATOM 1092 N THR A 73 -7.088 -4.749 5.804 1.00 0.00 N ATOM 1093 CA THR A 73 -7.036 -4.589 4.361 1.00 0.00 C ATOM 1094 C THR A 73 -6.240 -3.335 3.992 1.00 0.00 C ATOM 1095 O THR A 73 -6.283 -2.882 2.849 1.00 0.00 O ATOM 1096 CB THR A 73 -8.472 -4.573 3.835 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.225 -3.993 4.896 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.057 -5.979 3.688 1.00 0.00 C ATOM 0 H THR A 73 -7.887 -4.302 6.254 1.00 0.00 H new ATOM 0 HA THR A 73 -6.511 -5.420 3.890 1.00 0.00 H new ATOM 0 HB THR A 73 -8.499 -4.066 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.169 -3.943 4.638 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.078 -5.911 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.450 -6.554 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.061 -6.475 4.659 1.00 0.00 H new ATOM 1106 N SER A 74 -5.532 -2.810 4.981 1.00 0.00 N ATOM 1107 CA SER A 74 -4.727 -1.618 4.775 1.00 0.00 C ATOM 1108 C SER A 74 -3.334 -1.817 5.376 1.00 0.00 C ATOM 1109 O SER A 74 -3.018 -2.894 5.878 1.00 0.00 O ATOM 1110 CB SER A 74 -5.399 -0.388 5.388 1.00 0.00 C ATOM 1111 OG SER A 74 -6.242 0.281 4.454 1.00 0.00 O ATOM 0 H SER A 74 -5.499 -3.188 5.928 1.00 0.00 H new ATOM 0 HA SER A 74 -4.632 -1.450 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.987 -0.690 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.635 0.302 5.746 1.00 0.00 H new ATOM 0 HG SER A 74 -5.714 0.928 3.941 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.538 -0.760 5.305 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.186 -0.805 5.835 1.00 0.00 C ATOM 1119 C ALA A 75 -0.637 0.619 5.942 1.00 0.00 C ATOM 1120 O ALA A 75 -1.222 1.556 5.400 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.318 -1.699 4.947 1.00 0.00 C ATOM 0 H ALA A 75 -2.804 0.132 4.889 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.181 -1.237 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.696 -1.732 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.734 -2.706 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.297 -1.296 3.934 1.00 0.00 H new ATOM 1127 N GLU A 76 0.480 0.738 6.644 1.00 0.00 N ATOM 1128 CA GLU A 76 1.114 2.032 6.829 1.00 0.00 C ATOM 1129 C GLU A 76 2.635 1.897 6.729 1.00 0.00 C ATOM 1130 O GLU A 76 3.256 1.216 7.544 1.00 0.00 O ATOM 1131 CB GLU A 76 0.706 2.658 8.164 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.803 2.904 8.215 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.463 2.045 9.296 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.388 0.805 9.159 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.028 2.649 10.233 1.00 0.00 O ATOM 0 H GLU A 76 0.963 -0.041 7.092 1.00 0.00 H new ATOM 0 HA GLU A 76 0.774 2.697 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.999 2.001 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.237 3.599 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.997 3.958 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.245 2.677 7.245 1.00 0.00 H new ATOM 1142 N LEU A 77 3.192 2.557 5.724 1.00 0.00 N ATOM 1143 CA LEU A 77 4.628 2.519 5.508 1.00 0.00 C ATOM 1144 C LEU A 77 5.229 3.881 5.862 1.00 0.00 C ATOM 1145 O LEU A 77 4.514 4.786 6.290 1.00 0.00 O ATOM 1146 CB LEU A 77 4.943 2.060 4.083 1.00 0.00 C ATOM 1147 CG LEU A 77 4.425 0.674 3.694 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.017 -0.407 4.601 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.895 0.642 3.688 1.00 0.00 C ATOM 0 H LEU A 77 2.674 3.121 5.050 1.00 0.00 H new ATOM 0 HA LEU A 77 5.093 1.784 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.528 2.789 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.025 2.072 3.949 1.00 0.00 H new ATOM 0 HG LEU A 77 4.756 0.459 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.633 -1.382 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.103 -0.402 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.737 -0.207 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.553 -0.354 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.522 0.888 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.519 1.370 2.969 1.00 0.00 H new ATOM 1161 N VAL A 78 6.536 3.983 5.671 1.00 0.00 N ATOM 1162 CA VAL A 78 7.241 5.219 5.966 1.00 0.00 C ATOM 1163 C VAL A 78 7.502 5.975 4.662 1.00 0.00 C ATOM 1164 O VAL A 78 7.579 5.369 3.594 1.00 0.00 O ATOM 1165 CB VAL A 78 8.521 4.917 6.749 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.205 4.182 8.053 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.510 4.121 5.896 1.00 0.00 C ATOM 0 H VAL A 78 7.125 3.230 5.316 1.00 0.00 H new ATOM 0 HA VAL A 78 6.633 5.864 6.600 1.00 0.00 H new ATOM 0 HB VAL A 78 8.990 5.867 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.132 3.979 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.555 4.801 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.703 3.241 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.411 3.920 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.054 3.178 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.771 4.697 5.009 1.00 0.00 H new ATOM 1177 N LEU A 79 7.632 7.287 4.792 1.00 0.00 N ATOM 1178 CA LEU A 79 7.883 8.132 3.637 1.00 0.00 C ATOM 1179 C LEU A 79 9.005 7.519 2.796 1.00 0.00 C ATOM 1180 O LEU A 79 9.940 6.931 3.336 1.00 0.00 O ATOM 1181 CB LEU A 79 8.160 9.571 4.076 1.00 0.00 C ATOM 1182 CG LEU A 79 9.199 9.746 5.185 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.614 9.515 4.653 1.00 0.00 C ATOM 1184 CD2 LEU A 79 9.056 11.112 5.860 1.00 0.00 C ATOM 0 H LEU A 79 7.568 7.786 5.680 1.00 0.00 H new ATOM 0 HA LEU A 79 6.998 8.181 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.488 10.139 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.222 10.015 4.411 1.00 0.00 H new ATOM 0 HG LEU A 79 9.015 8.989 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.333 9.646 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.693 8.502 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.826 10.232 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.806 11.211 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.198 11.900 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.061 11.200 6.297 1.00 0.00 H new ATOM 1196 N PRO A 80 8.871 7.683 1.452 1.00 0.00 N ATOM 1197 CA PRO A 80 9.862 7.153 0.532 1.00 0.00 C ATOM 1198 C PRO A 80 11.133 8.005 0.544 1.00 0.00 C ATOM 1199 O PRO A 80 11.062 9.233 0.566 1.00 0.00 O ATOM 1200 CB PRO A 80 9.172 7.136 -0.822 1.00 0.00 C ATOM 1201 CG PRO A 80 7.990 8.084 -0.700 1.00 0.00 C ATOM 1202 CD PRO A 80 7.777 8.375 0.777 1.00 0.00 C ATOM 0 HA PRO A 80 10.198 6.153 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.852 7.459 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.841 6.130 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.183 9.007 -1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.096 7.637 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.802 9.446 0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.808 8.010 1.117 1.00 0.00 H new ATOM 1210 N ILE A 81 12.267 7.319 0.530 1.00 0.00 N ATOM 1211 CA ILE A 81 13.552 7.997 0.539 1.00 0.00 C ATOM 1212 C ILE A 81 14.224 7.827 -0.825 1.00 0.00 C ATOM 1213 O ILE A 81 15.011 6.903 -1.022 1.00 0.00 O ATOM 1214 CB ILE A 81 14.407 7.510 1.710 1.00 0.00 C ATOM 1215 CG1 ILE A 81 13.596 7.486 3.008 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.681 8.346 1.845 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.262 8.906 3.471 1.00 0.00 C ATOM 0 H ILE A 81 12.322 6.301 0.512 1.00 0.00 H new ATOM 0 HA ILE A 81 13.416 9.067 0.697 1.00 0.00 H new ATOM 0 HB ILE A 81 14.716 6.485 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.675 6.923 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 81 14.160 6.970 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.270 7.978 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.267 8.267 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.415 9.389 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.686 8.861 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.185 9.458 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 81 12.677 9.411 2.702 1.00 0.00 H new ATOM 1229 N LYS A 82 13.887 8.733 -1.732 1.00 0.00 N ATOM 1230 CA LYS A 82 14.448 8.695 -3.072 1.00 0.00 C ATOM 1231 C LYS A 82 13.978 7.423 -3.780 1.00 0.00 C ATOM 1232 O LYS A 82 13.620 6.442 -3.130 1.00 0.00 O ATOM 1233 CB LYS A 82 15.970 8.843 -3.020 1.00 0.00 C ATOM 1234 CG LYS A 82 16.383 10.309 -3.164 1.00 0.00 C ATOM 1235 CD LYS A 82 16.958 10.849 -1.853 1.00 0.00 C ATOM 1236 CE LYS A 82 18.430 10.460 -1.699 1.00 0.00 C ATOM 1237 NZ LYS A 82 19.244 11.643 -1.342 1.00 0.00 N ATOM 0 H LYS A 82 13.233 9.497 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 82 14.089 9.540 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.346 8.447 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.424 8.254 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.124 10.405 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.520 10.906 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.860 11.934 -1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.385 10.458 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.532 9.695 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.797 10.026 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.240 11.361 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.161 12.360 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.904 12.040 -0.443 1.00 0.00 H new ATOM 1251 N GLU A 83 13.995 7.481 -5.104 1.00 0.00 N ATOM 1252 CA GLU A 83 13.575 6.346 -5.908 1.00 0.00 C ATOM 1253 C GLU A 83 12.113 6.001 -5.617 1.00 0.00 C ATOM 1254 O GLU A 83 11.673 6.063 -4.470 1.00 0.00 O ATOM 1255 CB GLU A 83 14.481 5.137 -5.666 1.00 0.00 C ATOM 1256 CG GLU A 83 15.723 5.195 -6.558 1.00 0.00 C ATOM 1257 CD GLU A 83 16.992 4.916 -5.750 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.262 3.718 -5.513 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.663 5.906 -5.388 1.00 0.00 O ATOM 0 H GLU A 83 14.293 8.296 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 83 13.662 6.619 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.782 5.108 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.929 4.219 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.632 4.465 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.794 6.177 -7.025 1.00 0.00 H new ATOM 1266 N ASP A 84 11.400 5.647 -6.676 1.00 0.00 N ATOM 1267 CA ASP A 84 9.996 5.293 -6.549 1.00 0.00 C ATOM 1268 C ASP A 84 9.859 4.103 -5.598 1.00 0.00 C ATOM 1269 O ASP A 84 10.849 3.456 -5.260 1.00 0.00 O ATOM 1270 CB ASP A 84 9.406 4.887 -7.901 1.00 0.00 C ATOM 1271 CG ASP A 84 8.764 6.027 -8.695 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.725 6.534 -8.220 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.327 6.365 -9.758 1.00 0.00 O ATOM 0 H ASP A 84 11.768 5.598 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 84 9.462 6.164 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.196 4.443 -8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.657 4.113 -7.736 1.00 0.00 H new ATOM 1278 N TYR A 85 8.623 3.850 -5.192 1.00 0.00 N ATOM 1279 CA TYR A 85 8.344 2.749 -4.286 1.00 0.00 C ATOM 1280 C TYR A 85 7.416 1.723 -4.939 1.00 0.00 C ATOM 1281 O TYR A 85 6.304 2.056 -5.346 1.00 0.00 O ATOM 1282 CB TYR A 85 7.632 3.366 -3.079 1.00 0.00 C ATOM 1283 CG TYR A 85 7.957 2.683 -1.749 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.250 2.288 -1.474 1.00 0.00 C ATOM 1285 CD2 TYR A 85 6.957 2.463 -0.825 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.556 1.645 -0.222 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.262 1.820 0.427 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.547 1.443 0.667 1.00 0.00 C ATOM 1289 OH TYR A 85 8.835 0.836 1.849 1.00 0.00 O ATOM 0 H TYR A 85 7.804 4.389 -5.474 1.00 0.00 H new ATOM 0 HA TYR A 85 9.265 2.236 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.902 4.420 -3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.555 3.323 -3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.033 2.461 -2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.945 2.773 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.564 1.330 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.488 1.641 1.159 1.00 0.00 H new ATOM 0 HH TYR A 85 8.018 0.759 2.385 1.00 0.00 H new ATOM 1299 N ILE A 86 7.908 0.495 -5.020 1.00 0.00 N ATOM 1300 CA ILE A 86 7.137 -0.582 -5.617 1.00 0.00 C ATOM 1301 C ILE A 86 6.475 -1.404 -4.510 1.00 0.00 C ATOM 1302 O ILE A 86 7.125 -2.231 -3.872 1.00 0.00 O ATOM 1303 CB ILE A 86 8.014 -1.411 -6.558 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.349 -0.627 -7.828 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.361 -2.758 -6.871 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.963 0.733 -7.487 1.00 0.00 C ATOM 0 H ILE A 86 8.831 0.222 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 86 6.336 -0.179 -6.237 1.00 0.00 H new ATOM 0 HB ILE A 86 8.956 -1.620 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.044 -1.201 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.445 -0.484 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.005 -3.327 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.217 -3.316 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.396 -2.592 -7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.192 1.270 -8.408 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.256 1.313 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.879 0.585 -6.916 1.00 0.00 H new ATOM 1318 N ILE A 87 5.189 -1.149 -4.315 1.00 0.00 N ATOM 1319 CA ILE A 87 4.432 -1.855 -3.296 1.00 0.00 C ATOM 1320 C ILE A 87 3.614 -2.968 -3.954 1.00 0.00 C ATOM 1321 O ILE A 87 3.144 -2.815 -5.080 1.00 0.00 O ATOM 1322 CB ILE A 87 3.589 -0.874 -2.478 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.332 0.448 -2.273 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.153 -1.499 -1.151 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.915 1.113 -0.959 1.00 0.00 C ATOM 0 H ILE A 87 4.653 -0.463 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 87 5.105 -2.332 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 87 2.683 -0.650 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.407 0.268 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.124 1.119 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.556 -0.781 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.558 -2.391 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.034 -1.771 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.458 2.051 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.844 1.313 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.146 0.449 -0.126 1.00 0.00 H new ATOM 1337 N GLU A 88 3.469 -4.064 -3.223 1.00 0.00 N ATOM 1338 CA GLU A 88 2.716 -5.202 -3.721 1.00 0.00 C ATOM 1339 C GLU A 88 1.874 -5.814 -2.600 1.00 0.00 C ATOM 1340 O GLU A 88 2.407 -6.211 -1.565 1.00 0.00 O ATOM 1341 CB GLU A 88 3.647 -6.246 -4.340 1.00 0.00 C ATOM 1342 CG GLU A 88 3.692 -6.107 -5.863 1.00 0.00 C ATOM 1343 CD GLU A 88 3.416 -7.448 -6.545 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.100 -8.426 -6.171 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.528 -7.466 -7.425 1.00 0.00 O ATOM 0 H GLU A 88 3.861 -4.188 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 88 2.043 -4.853 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.651 -6.131 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.306 -7.246 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.955 -5.372 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.669 -5.734 -6.169 1.00 0.00 H new ATOM 1352 N VAL A 89 0.573 -5.871 -2.844 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.347 -6.428 -1.868 1.00 0.00 C ATOM 1354 C VAL A 89 -0.568 -7.912 -2.169 1.00 0.00 C ATOM 1355 O VAL A 89 -0.784 -8.289 -3.320 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.647 -5.621 -1.854 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.602 -6.137 -0.776 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.364 -4.129 -1.667 1.00 0.00 C ATOM 0 H VAL A 89 0.135 -5.541 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 89 0.074 -6.359 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.132 -5.752 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.518 -5.546 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.842 -7.182 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.128 -6.051 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.305 -3.578 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.846 -3.973 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.740 -3.772 -2.486 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.507 -8.713 -1.116 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.697 -10.147 -1.254 1.00 0.00 C ATOM 1370 C LYS A 90 -1.596 -10.649 -0.122 1.00 0.00 C ATOM 1371 O LYS A 90 -1.559 -10.116 0.987 1.00 0.00 O ATOM 1372 CB LYS A 90 0.653 -10.862 -1.330 1.00 0.00 C ATOM 1373 CG LYS A 90 1.034 -11.162 -2.781 1.00 0.00 C ATOM 1374 CD LYS A 90 1.871 -12.439 -2.876 1.00 0.00 C ATOM 1375 CE LYS A 90 3.335 -12.113 -3.182 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.866 -13.032 -4.213 1.00 0.00 N ATOM 0 H LYS A 90 -0.329 -8.396 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.205 -10.375 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.423 -10.243 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.609 -11.791 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.132 -11.269 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.595 -10.324 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.806 -12.991 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.468 -13.085 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.420 -11.082 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.930 -12.195 -2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.882 -12.853 -4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.725 -14.016 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.365 -12.874 -5.110 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.381 -11.667 -0.440 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.287 -12.247 0.537 1.00 0.00 C ATOM 1392 C ALA A 91 -2.708 -13.569 1.043 1.00 0.00 C ATOM 1393 O ALA A 91 -2.292 -14.412 0.249 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.672 -12.419 -0.091 1.00 0.00 C ATOM 0 H ALA A 91 -2.409 -12.105 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.398 -11.586 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.352 -12.854 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.052 -11.447 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.600 -13.078 -0.956 1.00 0.00 H new ATOM 1400 N THR A 92 -2.698 -13.709 2.360 1.00 0.00 N ATOM 1401 CA THR A 92 -2.176 -14.915 2.981 1.00 0.00 C ATOM 1402 C THR A 92 -3.318 -15.869 3.336 1.00 0.00 C ATOM 1403 O THR A 92 -4.423 -15.430 3.651 1.00 0.00 O ATOM 1404 CB THR A 92 -1.335 -14.498 4.189 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.288 -14.330 5.235 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.717 -13.108 4.021 1.00 0.00 C ATOM 0 H THR A 92 -3.043 -13.007 3.015 1.00 0.00 H new ATOM 0 HA THR A 92 -1.534 -15.468 2.295 1.00 0.00 H new ATOM 0 HB THR A 92 -0.544 -15.230 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.827 -14.061 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.131 -12.861 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.070 -13.101 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.509 -12.370 3.893 1.00 0.00 H new ATOM 1414 N THR A 93 -3.012 -17.157 3.273 1.00 0.00 N ATOM 1415 CA THR A 93 -3.999 -18.177 3.584 1.00 0.00 C ATOM 1416 C THR A 93 -3.367 -19.293 4.418 1.00 0.00 C ATOM 1417 O THR A 93 -2.216 -19.184 4.837 1.00 0.00 O ATOM 1418 CB THR A 93 -4.602 -18.668 2.267 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.473 -18.855 1.417 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.425 -17.589 1.561 1.00 0.00 C ATOM 0 H THR A 93 -2.094 -17.517 3.011 1.00 0.00 H new ATOM 0 HA THR A 93 -4.806 -17.774 4.196 1.00 0.00 H new ATOM 0 HB THR A 93 -5.231 -19.537 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.334 -19.813 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.830 -17.990 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.244 -17.274 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.788 -16.733 1.339 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.148 -20.342 4.633 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.679 -21.477 5.408 1.00 0.00 C ATOM 1430 C ASP A 94 -2.649 -22.258 4.590 1.00 0.00 C ATOM 1431 O ASP A 94 -1.906 -23.073 5.135 1.00 0.00 O ATOM 1432 CB ASP A 94 -4.831 -22.426 5.748 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.112 -22.593 7.242 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.972 -21.581 7.963 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -5.461 -23.729 7.631 1.00 0.00 O ATOM 0 H ASP A 94 -5.102 -20.429 4.284 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.241 -21.097 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.736 -22.063 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.612 -23.406 5.323 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.638 -21.982 3.294 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.711 -22.649 2.395 1.00 0.00 C ATOM 1442 C GLY A 95 -0.433 -21.828 2.217 1.00 0.00 C ATOM 1443 O GLY A 95 0.654 -22.386 2.078 1.00 0.00 O ATOM 0 H GLY A 95 -3.256 -21.306 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.462 -23.634 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.186 -22.804 1.426 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.605 -20.514 2.228 1.00 0.00 N ATOM 1448 CA GLY A 96 0.521 -19.610 2.070 1.00 0.00 C ATOM 1449 C GLY A 96 0.060 -18.242 1.563 1.00 0.00 C ATOM 1450 O GLY A 96 -0.857 -17.645 2.126 1.00 0.00 O ATOM 0 H GLY A 96 -1.508 -20.054 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.035 -19.494 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.240 -20.038 1.371 1.00 0.00 H new ATOM 1454 N ASP A 97 0.716 -17.786 0.506 1.00 0.00 N ATOM 1455 CA ASP A 97 0.384 -16.499 -0.082 1.00 0.00 C ATOM 1456 C ASP A 97 -0.542 -16.715 -1.281 1.00 0.00 C ATOM 1457 O ASP A 97 -0.863 -17.852 -1.625 1.00 0.00 O ATOM 1458 CB ASP A 97 1.640 -15.780 -0.578 1.00 0.00 C ATOM 1459 CG ASP A 97 2.887 -15.988 0.284 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.615 -16.964 0.003 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.083 -15.165 1.204 1.00 0.00 O ATOM 0 H ASP A 97 1.475 -18.284 0.042 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.100 -15.893 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.857 -16.117 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.430 -14.712 -0.635 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.945 -15.607 -1.885 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.827 -15.661 -3.038 1.00 0.00 C ATOM 1468 C GLY A 98 -1.235 -14.886 -4.217 1.00 0.00 C ATOM 1469 O GLY A 98 -0.083 -15.101 -4.591 1.00 0.00 O ATOM 0 H GLY A 98 -0.677 -14.666 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.992 -16.699 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.800 -15.245 -2.776 1.00 0.00 H new ATOM 1473 N THR A 99 -2.051 -14.001 -4.771 1.00 0.00 N ATOM 1474 CA THR A 99 -1.623 -13.194 -5.901 1.00 0.00 C ATOM 1475 C THR A 99 -1.209 -11.797 -5.432 1.00 0.00 C ATOM 1476 O THR A 99 -1.774 -11.266 -4.477 1.00 0.00 O ATOM 1477 CB THR A 99 -2.757 -13.178 -6.928 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.186 -14.536 -6.992 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.261 -12.877 -8.344 1.00 0.00 C ATOM 0 H THR A 99 -3.006 -13.825 -4.458 1.00 0.00 H new ATOM 0 HA THR A 99 -0.739 -13.619 -6.378 1.00 0.00 H new ATOM 0 HB THR A 99 -3.499 -12.434 -6.638 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.922 -14.617 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.106 -12.878 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.780 -11.899 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.544 -13.640 -8.648 1.00 0.00 H new ATOM 1487 N SER A 100 -0.226 -11.242 -6.125 1.00 0.00 N ATOM 1488 CA SER A 100 0.271 -9.918 -5.792 1.00 0.00 C ATOM 1489 C SER A 100 -0.363 -8.874 -6.714 1.00 0.00 C ATOM 1490 O SER A 100 -0.119 -8.877 -7.920 1.00 0.00 O ATOM 1491 CB SER A 100 1.796 -9.860 -5.893 1.00 0.00 C ATOM 1492 OG SER A 100 2.405 -11.084 -5.489 1.00 0.00 O ATOM 0 H SER A 100 0.240 -11.686 -6.916 1.00 0.00 H new ATOM 0 HA SER A 100 -0.006 -9.698 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.083 -9.634 -6.920 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.170 -9.047 -5.271 1.00 0.00 H new ATOM 0 HG SER A 100 3.243 -11.210 -5.981 1.00 0.00 H new ATOM 1498 N SER A 101 -1.163 -8.007 -6.112 1.00 0.00 N ATOM 1499 CA SER A 101 -1.833 -6.960 -6.865 1.00 0.00 C ATOM 1500 C SER A 101 -0.814 -6.185 -7.704 1.00 0.00 C ATOM 1501 O SER A 101 0.392 -6.376 -7.554 1.00 0.00 O ATOM 1502 CB SER A 101 -2.587 -6.008 -5.933 1.00 0.00 C ATOM 1503 OG SER A 101 -1.703 -5.148 -5.220 1.00 0.00 O ATOM 0 H SER A 101 -1.363 -8.008 -5.112 1.00 0.00 H new ATOM 0 HA SER A 101 -2.560 -7.428 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.285 -5.407 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.179 -6.587 -5.225 1.00 0.00 H new ATOM 0 HG SER A 101 -1.555 -4.329 -5.738 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.337 -5.328 -8.568 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.489 -4.523 -9.431 1.00 0.00 C ATOM 1511 C GLU A 102 0.452 -3.656 -8.591 1.00 0.00 C ATOM 1512 O GLU A 102 0.003 -2.902 -7.730 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.328 -3.663 -10.378 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.474 -4.336 -11.744 1.00 0.00 C ATOM 1515 CD GLU A 102 -1.098 -3.373 -12.872 1.00 0.00 C ATOM 1516 OE1 GLU A 102 0.113 -3.089 -12.995 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -2.030 -2.942 -13.585 1.00 0.00 O ATOM 0 H GLU A 102 -2.338 -5.173 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 102 0.115 -5.194 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.314 -3.494 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.861 -2.686 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.837 -5.220 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.501 -4.676 -11.878 1.00 0.00 H new ATOM 1524 N GLN A 103 1.740 -3.794 -8.872 1.00 0.00 N ATOM 1525 CA GLN A 103 2.747 -3.032 -8.154 1.00 0.00 C ATOM 1526 C GLN A 103 2.352 -1.556 -8.090 1.00 0.00 C ATOM 1527 O GLN A 103 1.945 -0.975 -9.095 1.00 0.00 O ATOM 1528 CB GLN A 103 4.125 -3.204 -8.796 1.00 0.00 C ATOM 1529 CG GLN A 103 4.888 -4.365 -8.155 1.00 0.00 C ATOM 1530 CD GLN A 103 6.103 -4.756 -9.000 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.676 -3.953 -9.718 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.462 -6.030 -8.875 1.00 0.00 N ATOM 0 H GLN A 103 2.109 -4.422 -9.587 1.00 0.00 H new ATOM 0 HA GLN A 103 2.806 -3.415 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.012 -3.385 -9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.698 -2.283 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.213 -4.083 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.226 -5.224 -8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.938 -6.649 -8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.261 -6.388 -9.398 1.00 0.00 H new ATOM 1541 N ILE A 104 2.486 -0.991 -6.899 1.00 0.00 N ATOM 1542 CA ILE A 104 2.148 0.407 -6.692 1.00 0.00 C ATOM 1543 C ILE A 104 3.394 1.267 -6.911 1.00 0.00 C ATOM 1544 O ILE A 104 4.476 0.932 -6.430 1.00 0.00 O ATOM 1545 CB ILE A 104 1.499 0.603 -5.320 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.706 -0.638 -4.906 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.638 1.868 -5.297 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.500 -0.256 -4.044 1.00 0.00 C ATOM 0 H ILE A 104 2.824 -1.476 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 104 1.405 0.731 -7.421 1.00 0.00 H new ATOM 0 HB ILE A 104 2.291 0.739 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.368 -1.171 -5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.352 -1.319 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.188 1.984 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.260 2.736 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.149 1.786 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.046 -1.156 -3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.157 0.255 -3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.156 0.405 -4.609 1.00 0.00 H new ATOM 1560 N ARG A 105 3.201 2.358 -7.638 1.00 0.00 N ATOM 1561 CA ARG A 105 4.296 3.268 -7.927 1.00 0.00 C ATOM 1562 C ARG A 105 4.142 4.557 -7.117 1.00 0.00 C ATOM 1563 O ARG A 105 3.370 5.439 -7.489 1.00 0.00 O ATOM 1564 CB ARG A 105 4.348 3.612 -9.416 1.00 0.00 C ATOM 1565 CG ARG A 105 5.793 3.774 -9.892 1.00 0.00 C ATOM 1566 CD ARG A 105 5.909 3.506 -11.394 1.00 0.00 C ATOM 1567 NE ARG A 105 4.683 3.961 -12.086 1.00 0.00 N ATOM 1568 CZ ARG A 105 4.399 3.692 -13.367 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.252 2.968 -14.104 1.00 0.00 N ATOM 1570 NH2 ARG A 105 3.262 4.146 -13.912 1.00 0.00 N ATOM 0 H ARG A 105 2.302 2.632 -8.035 1.00 0.00 H new ATOM 0 HA ARG A 105 5.224 2.769 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.858 2.827 -9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.796 4.534 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.141 4.783 -9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.439 3.087 -9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.778 4.025 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.062 2.441 -11.571 1.00 0.00 H new ATOM 0 HE ARG A 105 4.012 4.515 -11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.117 2.622 -13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.036 2.763 -15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.612 4.697 -13.351 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.047 3.941 -14.888 1.00 0.00 H new ATOM 1584 N ILE A 106 4.890 4.626 -6.026 1.00 0.00 N ATOM 1585 CA ILE A 106 4.847 5.792 -5.160 1.00 0.00 C ATOM 1586 C ILE A 106 6.199 6.507 -5.206 1.00 0.00 C ATOM 1587 O ILE A 106 7.167 6.050 -4.601 1.00 0.00 O ATOM 1588 CB ILE A 106 4.408 5.397 -3.749 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.153 4.521 -3.790 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.216 6.633 -2.868 1.00 0.00 C ATOM 1591 CD1 ILE A 106 2.954 3.787 -2.463 1.00 0.00 C ATOM 0 H ILE A 106 5.530 3.893 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 106 4.099 6.501 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 106 5.202 4.801 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.281 5.139 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.236 3.798 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.904 6.324 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.156 7.181 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.451 7.276 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.056 3.172 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.817 3.152 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.847 4.514 -1.658 1.00 0.00 H new ATOM 1603 N PRO A 107 6.222 7.645 -5.949 1.00 0.00 N ATOM 1604 CA PRO A 107 7.440 8.428 -6.082 1.00 0.00 C ATOM 1605 C PRO A 107 7.728 9.215 -4.802 1.00 0.00 C ATOM 1606 O PRO A 107 6.840 9.404 -3.972 1.00 0.00 O ATOM 1607 CB PRO A 107 7.204 9.321 -7.289 1.00 0.00 C ATOM 1608 CG PRO A 107 5.699 9.342 -7.504 1.00 0.00 C ATOM 1609 CD PRO A 107 5.095 8.217 -6.680 1.00 0.00 C ATOM 0 HA PRO A 107 8.325 7.809 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.587 10.326 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.719 8.934 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.283 10.303 -7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.462 9.211 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.331 8.592 -5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.617 7.472 -7.317 1.00 0.00 H new ATOM 1617 N ARG A 108 8.972 9.654 -4.683 1.00 0.00 N ATOM 1618 CA ARG A 108 9.388 10.417 -3.518 1.00 0.00 C ATOM 1619 C ARG A 108 8.416 11.570 -3.264 1.00 0.00 C ATOM 1620 O ARG A 108 7.433 11.728 -3.986 1.00 0.00 O ATOM 1621 CB ARG A 108 10.799 10.979 -3.704 1.00 0.00 C ATOM 1622 CG ARG A 108 10.997 11.505 -5.127 1.00 0.00 C ATOM 1623 CD ARG A 108 12.155 10.785 -5.822 1.00 0.00 C ATOM 1624 NE ARG A 108 13.107 11.774 -6.373 1.00 0.00 N ATOM 1625 CZ ARG A 108 12.848 12.561 -7.427 1.00 0.00 C ATOM 1626 NH1 ARG A 108 11.664 12.479 -8.049 1.00 0.00 N ATOM 1627 NH2 ARG A 108 13.773 13.430 -7.858 1.00 0.00 N ATOM 0 H ARG A 108 9.706 9.496 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 108 9.388 9.743 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.971 11.783 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.534 10.202 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.081 11.366 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.195 12.576 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.665 10.132 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.772 10.151 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 108 14.018 11.863 -5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.960 11.818 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.467 13.078 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.674 13.493 -7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.576 14.029 -8.660 1.00 0.00 H new