USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 Single : A 15 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.35) USER MOD Single : A 26 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.051) USER MOD Single : A 29 SER OG : rot -162:sc= -0.712 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -107:sc= 0.553 USER MOD Single : A 38 SER OG : rot 180:sc= -0.612 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 55 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.67) USER MOD Single : A 57 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.58) USER MOD Single : A 60 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.5!) USER MOD Single : A 65 GLN : amide:sc= -0.935 K(o=-0.93,f=-0.42) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.71 X(o=-2.7,f=-2.5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.25! C(o=-2.3!,f=-4.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 94:sc= 0.49 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0402 K(o=-0.04,f=-2.8!) USER MOD Single : A 95 SER OG : rot 40:sc= 0.614 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.128 -7.336 10.164 1.00 0.00 N ATOM 174 CA VAL A 14 -15.386 -6.104 9.429 1.00 0.00 C ATOM 175 C VAL A 14 -16.375 -6.340 8.292 1.00 0.00 C ATOM 176 O VAL A 14 -16.320 -7.364 7.610 1.00 0.00 O ATOM 177 CB VAL A 14 -14.087 -5.512 8.850 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.395 -4.318 7.959 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.136 -5.121 9.971 1.00 0.00 C ATOM 0 HA VAL A 14 -15.814 -5.396 10.139 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.600 -6.273 8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.465 -3.913 7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.037 -4.634 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.904 -3.550 8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.223 -4.705 9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.612 -4.376 10.609 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.891 -6.002 10.564 1.00 0.00 H new ATOM 189 N HIS A 15 -17.278 -5.385 8.092 1.00 0.00 N ATOM 190 CA HIS A 15 -18.279 -5.488 7.036 1.00 0.00 C ATOM 191 C HIS A 15 -18.355 -4.194 6.232 1.00 0.00 C ATOM 192 O HIS A 15 -18.771 -3.156 6.746 1.00 0.00 O ATOM 193 CB HIS A 15 -19.648 -5.813 7.633 1.00 0.00 C ATOM 194 CG HIS A 15 -19.817 -7.257 7.994 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.286 -8.287 7.246 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.462 -7.840 9.031 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.598 -9.441 7.807 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.311 -9.198 8.892 1.00 0.00 N ATOM 0 H HIS A 15 -17.337 -4.531 8.647 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.983 -6.295 6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.800 -5.204 8.524 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.422 -5.533 6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.996 -7.332 9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.318 -10.418 7.441 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.688 -9.904 9.524 1.00 0.00 H new ATOM 206 N ILE A 16 -17.949 -4.264 4.968 1.00 0.00 N ATOM 207 CA ILE A 16 -17.972 -3.098 4.094 1.00 0.00 C ATOM 208 C ILE A 16 -19.390 -2.559 3.933 1.00 0.00 C ATOM 209 O ILE A 16 -20.168 -3.063 3.122 1.00 0.00 O ATOM 210 CB ILE A 16 -17.399 -3.427 2.702 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.964 -3.943 2.827 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.450 -2.199 1.805 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.000 -2.919 3.384 1.00 0.00 C ATOM 0 H ILE A 16 -17.601 -5.115 4.527 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.348 -2.338 4.565 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.008 -4.209 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.958 -4.823 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.615 -4.263 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.042 -2.447 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.484 -1.871 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.861 -1.398 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.002 -3.354 3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.977 -2.047 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.325 -2.617 4.379 1.00 0.00 H new ATOM 225 N ILE A 17 -19.718 -1.532 4.709 1.00 0.00 N ATOM 226 CA ILE A 17 -21.041 -0.923 4.650 1.00 0.00 C ATOM 227 C ILE A 17 -21.230 -0.143 3.354 1.00 0.00 C ATOM 228 O ILE A 17 -22.097 -0.469 2.544 1.00 0.00 O ATOM 229 CB ILE A 17 -21.280 0.021 5.844 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.883 -0.665 7.152 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.736 0.460 5.889 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.086 0.202 8.375 1.00 0.00 C ATOM 0 H ILE A 17 -19.086 -1.104 5.386 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.765 -1.737 4.690 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.658 0.907 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.465 -1.580 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.835 -0.959 7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.889 1.126 6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.987 0.984 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.377 -0.415 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.784 -0.349 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.483 1.105 8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.138 0.475 8.457 1.00 0.00 H new ATOM 244 N GLU A 18 -20.411 0.886 3.164 1.00 0.00 N ATOM 245 CA GLU A 18 -20.488 1.712 1.964 1.00 0.00 C ATOM 246 C GLU A 18 -19.130 1.796 1.273 1.00 0.00 C ATOM 247 O GLU A 18 -18.396 2.770 1.440 1.00 0.00 O ATOM 248 CB GLU A 18 -20.981 3.117 2.316 1.00 0.00 C ATOM 249 CG GLU A 18 -22.246 3.125 3.158 1.00 0.00 C ATOM 250 CD GLU A 18 -22.921 4.482 3.185 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.705 5.271 2.241 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.665 4.756 4.150 1.00 0.00 O ATOM 0 H GLU A 18 -19.687 1.168 3.825 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.197 1.247 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.193 3.645 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.164 3.670 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.943 2.384 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.001 2.825 4.177 1.00 0.00 H new ATOM 259 N ASP A 19 -18.803 0.768 0.498 1.00 0.00 N ATOM 260 CA ASP A 19 -17.534 0.725 -0.219 1.00 0.00 C ATOM 261 C ASP A 19 -17.331 1.993 -1.043 1.00 0.00 C ATOM 262 O ASP A 19 -18.289 2.701 -1.357 1.00 0.00 O ATOM 263 CB ASP A 19 -17.479 -0.504 -1.129 1.00 0.00 C ATOM 264 CG ASP A 19 -16.060 -0.881 -1.507 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.488 -0.217 -2.396 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.524 -1.841 -0.916 1.00 0.00 O ATOM 0 H ASP A 19 -19.399 -0.047 0.350 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.732 0.659 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.954 -1.346 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.053 -0.308 -2.034 1.00 0.00 H new ATOM 271 N LEU A 20 -16.080 2.274 -1.388 1.00 0.00 N ATOM 272 CA LEU A 20 -15.751 3.458 -2.175 1.00 0.00 C ATOM 273 C LEU A 20 -16.543 3.483 -3.478 1.00 0.00 C ATOM 274 O LEU A 20 -17.280 2.546 -3.785 1.00 0.00 O ATOM 275 CB LEU A 20 -14.252 3.494 -2.475 1.00 0.00 C ATOM 276 CG LEU A 20 -13.322 3.295 -1.278 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.128 2.436 -1.666 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.860 4.638 -0.732 1.00 0.00 C ATOM 0 H LEU A 20 -15.276 1.699 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.020 4.339 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.031 2.723 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.017 4.453 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.876 2.778 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.477 2.305 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.477 1.462 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.573 2.925 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.199 4.477 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.324 5.182 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.726 5.219 -0.414 1.00 0.00 H new ATOM 290 N GLU A 21 -16.384 4.560 -4.240 1.00 0.00 N ATOM 291 CA GLU A 21 -17.084 4.705 -5.511 1.00 0.00 C ATOM 292 C GLU A 21 -16.096 4.909 -6.656 1.00 0.00 C ATOM 293 O GLU A 21 -15.840 3.994 -7.439 1.00 0.00 O ATOM 294 CB GLU A 21 -18.060 5.883 -5.450 1.00 0.00 C ATOM 295 CG GLU A 21 -17.687 6.929 -4.413 1.00 0.00 C ATOM 296 CD GLU A 21 -18.234 8.303 -4.747 1.00 0.00 C ATOM 297 OE1 GLU A 21 -19.372 8.380 -5.257 1.00 0.00 O ATOM 298 OE2 GLU A 21 -17.525 9.301 -4.500 1.00 0.00 O ATOM 0 H GLU A 21 -15.777 5.344 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.643 3.788 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.107 6.356 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.059 5.506 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.064 6.619 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.601 6.984 -4.332 1.00 0.00 H new ATOM 305 N ASP A 22 -15.545 6.114 -6.748 1.00 0.00 N ATOM 306 CA ASP A 22 -14.585 6.439 -7.796 1.00 0.00 C ATOM 307 C ASP A 22 -14.113 7.884 -7.672 1.00 0.00 C ATOM 308 O ASP A 22 -14.750 8.701 -7.007 1.00 0.00 O ATOM 309 CB ASP A 22 -15.206 6.208 -9.175 1.00 0.00 C ATOM 310 CG ASP A 22 -16.615 6.759 -9.275 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.546 6.103 -8.763 1.00 0.00 O ATOM 312 OD2 ASP A 22 -16.786 7.846 -9.864 1.00 0.00 O ATOM 0 H ASP A 22 -15.747 6.883 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.722 5.783 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.581 6.677 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.221 5.139 -9.389 1.00 0.00 H new ATOM 317 N VAL A 23 -12.993 8.193 -8.317 1.00 0.00 N ATOM 318 CA VAL A 23 -12.435 9.540 -8.279 1.00 0.00 C ATOM 319 C VAL A 23 -11.679 9.858 -9.565 1.00 0.00 C ATOM 320 O VAL A 23 -11.030 8.989 -10.146 1.00 0.00 O ATOM 321 CB VAL A 23 -11.486 9.721 -7.080 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.877 11.115 -7.086 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.221 9.456 -5.775 1.00 0.00 C ATOM 0 H VAL A 23 -12.454 7.529 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.274 10.228 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.676 8.997 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.209 11.224 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.314 11.262 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.671 11.859 -7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.535 9.588 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.052 10.154 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.603 8.435 -5.773 1.00 0.00 H new ATOM 333 N ASP A 24 -11.769 11.109 -10.003 1.00 0.00 N ATOM 334 CA ASP A 24 -11.092 11.543 -11.219 1.00 0.00 C ATOM 335 C ASP A 24 -10.774 13.034 -11.161 1.00 0.00 C ATOM 336 O ASP A 24 -11.661 13.875 -11.310 1.00 0.00 O ATOM 337 CB ASP A 24 -11.955 11.240 -12.445 1.00 0.00 C ATOM 338 CG ASP A 24 -13.355 11.809 -12.322 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.226 11.124 -11.746 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.579 12.940 -12.801 1.00 0.00 O ATOM 0 H ASP A 24 -12.304 11.840 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.155 10.993 -11.300 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.476 11.651 -13.334 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.016 10.161 -12.585 1.00 0.00 H new ATOM 345 N VAL A 25 -9.503 13.356 -10.943 1.00 0.00 N ATOM 346 CA VAL A 25 -9.068 14.745 -10.865 1.00 0.00 C ATOM 347 C VAL A 25 -7.643 14.905 -11.385 1.00 0.00 C ATOM 348 O VAL A 25 -6.896 13.932 -11.483 1.00 0.00 O ATOM 349 CB VAL A 25 -9.139 15.276 -9.421 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.533 15.077 -8.847 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.093 14.594 -8.552 1.00 0.00 C ATOM 0 H VAL A 25 -8.756 12.673 -10.817 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.747 15.325 -11.490 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.927 16.345 -9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.564 15.458 -7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.258 15.615 -9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.778 14.015 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.157 14.981 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.272 13.519 -8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.100 14.793 -8.954 1.00 0.00 H new ATOM 361 N GLN A 26 -7.275 16.138 -11.715 1.00 0.00 N ATOM 362 CA GLN A 26 -5.939 16.425 -12.224 1.00 0.00 C ATOM 363 C GLN A 26 -4.875 16.086 -11.185 1.00 0.00 C ATOM 364 O GLN A 26 -5.030 16.392 -10.003 1.00 0.00 O ATOM 365 CB GLN A 26 -5.828 17.897 -12.624 1.00 0.00 C ATOM 366 CG GLN A 26 -5.675 18.839 -11.440 1.00 0.00 C ATOM 367 CD GLN A 26 -6.373 20.167 -11.657 1.00 0.00 C ATOM 368 OE1 GLN A 26 -5.766 21.230 -11.523 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.657 20.113 -11.995 1.00 0.00 N ATOM 0 H GLN A 26 -7.882 16.954 -11.639 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.772 15.803 -13.104 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.973 18.021 -13.289 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.716 18.179 -13.190 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.079 18.362 -10.547 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.615 19.016 -11.256 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.120 19.210 -12.095 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.179 20.975 -12.154 1.00 0.00 H new ATOM 378 N GLU A 27 -3.796 15.453 -11.634 1.00 0.00 N ATOM 379 CA GLU A 27 -2.708 15.072 -10.741 1.00 0.00 C ATOM 380 C GLU A 27 -2.232 16.269 -9.922 1.00 0.00 C ATOM 381 O GLU A 27 -2.294 17.410 -10.377 1.00 0.00 O ATOM 382 CB GLU A 27 -1.541 14.492 -11.542 1.00 0.00 C ATOM 383 CG GLU A 27 -0.636 15.549 -12.153 1.00 0.00 C ATOM 384 CD GLU A 27 0.667 15.709 -11.396 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.579 14.882 -11.602 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.776 16.664 -10.598 1.00 0.00 O ATOM 0 H GLU A 27 -3.652 15.193 -12.610 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.083 14.311 -10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.948 13.851 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.936 13.860 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.420 15.283 -13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.161 16.504 -12.172 1.00 0.00 H new ATOM 393 N GLY A 28 -1.757 15.998 -8.710 1.00 0.00 N ATOM 394 CA GLY A 28 -1.278 17.061 -7.847 1.00 0.00 C ATOM 395 C GLY A 28 -2.356 17.584 -6.918 1.00 0.00 C ATOM 396 O GLY A 28 -2.059 18.205 -5.898 1.00 0.00 O ATOM 0 H GLY A 28 -1.696 15.061 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.439 16.694 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.902 17.880 -8.460 1.00 0.00 H new ATOM 400 N SER A 29 -3.613 17.334 -7.273 1.00 0.00 N ATOM 401 CA SER A 29 -4.739 17.789 -6.467 1.00 0.00 C ATOM 402 C SER A 29 -4.989 16.841 -5.298 1.00 0.00 C ATOM 403 O SER A 29 -4.220 15.908 -5.066 1.00 0.00 O ATOM 404 CB SER A 29 -5.999 17.898 -7.328 1.00 0.00 C ATOM 405 OG SER A 29 -5.844 18.882 -8.336 1.00 0.00 O ATOM 0 H SER A 29 -3.876 16.819 -8.113 1.00 0.00 H new ATOM 0 HA SER A 29 -4.494 18.773 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.214 16.933 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.853 18.149 -6.699 1.00 0.00 H new ATOM 0 HG SER A 29 -6.725 19.138 -8.682 1.00 0.00 H new ATOM 411 N SER A 30 -6.070 17.087 -4.565 1.00 0.00 N ATOM 412 CA SER A 30 -6.420 16.259 -3.417 1.00 0.00 C ATOM 413 C SER A 30 -7.647 15.403 -3.719 1.00 0.00 C ATOM 414 O SER A 30 -8.772 15.903 -3.755 1.00 0.00 O ATOM 415 CB SER A 30 -6.684 17.134 -2.190 1.00 0.00 C ATOM 416 OG SER A 30 -7.011 18.459 -2.571 1.00 0.00 O ATOM 0 H SER A 30 -6.719 17.853 -4.746 1.00 0.00 H new ATOM 0 HA SER A 30 -5.579 15.598 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.499 16.709 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.802 17.143 -1.549 1.00 0.00 H new ATOM 0 HG SER A 30 -7.177 18.998 -1.770 1.00 0.00 H new ATOM 422 N ALA A 31 -7.422 14.112 -3.934 1.00 0.00 N ATOM 423 CA ALA A 31 -8.508 13.186 -4.231 1.00 0.00 C ATOM 424 C ALA A 31 -9.088 12.592 -2.952 1.00 0.00 C ATOM 425 O ALA A 31 -8.382 11.941 -2.181 1.00 0.00 O ATOM 426 CB ALA A 31 -8.021 12.080 -5.155 1.00 0.00 C ATOM 0 H ALA A 31 -6.497 13.683 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.299 13.742 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.842 11.396 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.661 12.516 -6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.210 11.534 -4.673 1.00 0.00 H new ATOM 432 N THR A 32 -10.379 12.821 -2.731 1.00 0.00 N ATOM 433 CA THR A 32 -11.053 12.310 -1.544 1.00 0.00 C ATOM 434 C THR A 32 -11.617 10.916 -1.789 1.00 0.00 C ATOM 435 O THR A 32 -12.217 10.652 -2.832 1.00 0.00 O ATOM 436 CB THR A 32 -12.197 13.244 -1.102 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.718 14.589 -0.996 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.773 12.799 0.234 1.00 0.00 C ATOM 0 H THR A 32 -10.978 13.357 -3.359 1.00 0.00 H new ATOM 0 HA THR A 32 -10.306 12.262 -0.752 1.00 0.00 H new ATOM 0 HB THR A 32 -12.985 13.198 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.451 15.176 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.579 13.473 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.163 11.785 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.990 12.819 0.993 1.00 0.00 H new ATOM 446 N PHE A 33 -11.422 10.025 -0.822 1.00 0.00 N ATOM 447 CA PHE A 33 -11.911 8.656 -0.934 1.00 0.00 C ATOM 448 C PHE A 33 -12.646 8.236 0.336 1.00 0.00 C ATOM 449 O PHE A 33 -12.029 7.803 1.309 1.00 0.00 O ATOM 450 CB PHE A 33 -10.750 7.697 -1.205 1.00 0.00 C ATOM 451 CG PHE A 33 -10.353 7.631 -2.652 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.071 6.853 -3.546 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.262 8.346 -3.118 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.708 6.790 -4.878 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.895 8.288 -4.449 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.618 7.507 -5.330 1.00 0.00 C ATOM 0 H PHE A 33 -10.929 10.227 0.048 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.610 8.614 -1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.888 8.006 -0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.027 6.699 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.924 6.289 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.692 8.956 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.276 6.180 -5.565 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.044 8.853 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.331 7.457 -6.370 1.00 0.00 H new ATOM 466 N ARG A 34 -13.969 8.368 0.318 1.00 0.00 N ATOM 467 CA ARG A 34 -14.788 8.004 1.467 1.00 0.00 C ATOM 468 C ARG A 34 -15.219 6.543 1.387 1.00 0.00 C ATOM 469 O ARG A 34 -15.390 5.994 0.298 1.00 0.00 O ATOM 470 CB ARG A 34 -16.021 8.907 1.548 1.00 0.00 C ATOM 471 CG ARG A 34 -15.854 10.083 2.495 1.00 0.00 C ATOM 472 CD ARG A 34 -16.710 11.266 2.071 1.00 0.00 C ATOM 473 NE ARG A 34 -16.168 12.534 2.551 1.00 0.00 N ATOM 474 CZ ARG A 34 -16.849 13.675 2.544 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.092 13.705 2.085 1.00 0.00 N ATOM 476 NH2 ARG A 34 -16.287 14.788 2.998 1.00 0.00 N ATOM 0 H ARG A 34 -14.496 8.724 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.187 8.139 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.251 9.284 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.876 8.312 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.127 9.779 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.806 10.382 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.781 11.291 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.722 11.136 2.454 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.214 12.545 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.528 12.851 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.613 14.582 2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.331 14.768 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.811 15.663 2.992 1.00 0.00 H new ATOM 490 N CYS A 35 -15.393 5.918 2.547 1.00 0.00 N ATOM 491 CA CYS A 35 -15.802 4.520 2.608 1.00 0.00 C ATOM 492 C CYS A 35 -16.283 4.155 4.009 1.00 0.00 C ATOM 493 O CYS A 35 -15.565 4.344 4.991 1.00 0.00 O ATOM 494 CB CYS A 35 -14.643 3.609 2.200 1.00 0.00 C ATOM 495 SG CYS A 35 -13.124 3.881 3.142 1.00 0.00 S ATOM 0 H CYS A 35 -15.257 6.358 3.457 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.628 4.378 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.951 2.570 2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.433 3.758 1.141 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.248 4.480 2.390 1.00 0.00 H new ATOM 501 N ARG A 36 -17.502 3.632 4.093 1.00 0.00 N ATOM 502 CA ARG A 36 -18.080 3.244 5.374 1.00 0.00 C ATOM 503 C ARG A 36 -17.814 1.770 5.666 1.00 0.00 C ATOM 504 O ARG A 36 -18.276 0.890 4.939 1.00 0.00 O ATOM 505 CB ARG A 36 -19.586 3.512 5.380 1.00 0.00 C ATOM 506 CG ARG A 36 -20.154 3.762 6.768 1.00 0.00 C ATOM 507 CD ARG A 36 -21.675 3.780 6.752 1.00 0.00 C ATOM 508 NE ARG A 36 -22.237 3.685 8.097 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.509 3.390 8.342 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.346 3.163 7.339 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.946 3.322 9.593 1.00 0.00 N ATOM 0 H ARG A 36 -18.108 3.467 3.289 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.608 3.842 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.795 4.376 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.100 2.660 4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.805 2.987 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.782 4.713 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.022 4.698 6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.041 2.951 6.147 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.619 3.854 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.014 3.215 6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.322 2.937 7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.305 3.496 10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.923 3.095 9.780 1.00 0.00 H new ATOM 525 N ILE A 37 -17.066 1.509 6.733 1.00 0.00 N ATOM 526 CA ILE A 37 -16.740 0.143 7.121 1.00 0.00 C ATOM 527 C ILE A 37 -16.989 -0.081 8.608 1.00 0.00 C ATOM 528 O ILE A 37 -16.563 0.714 9.446 1.00 0.00 O ATOM 529 CB ILE A 37 -15.272 -0.198 6.800 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.330 0.687 7.619 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.003 -0.032 5.312 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.769 0.000 8.844 1.00 0.00 C ATOM 0 H ILE A 37 -16.675 2.226 7.344 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.392 -0.513 6.544 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.089 -1.238 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.505 1.011 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.865 1.585 7.929 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.962 -0.276 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.654 -0.700 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.200 0.999 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.110 0.686 9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.587 -0.300 9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.205 -0.882 8.540 1.00 0.00 H new ATOM 544 N SER A 38 -17.680 -1.170 8.930 1.00 0.00 N ATOM 545 CA SER A 38 -17.987 -1.498 10.317 1.00 0.00 C ATOM 546 C SER A 38 -16.900 -2.382 10.920 1.00 0.00 C ATOM 547 O SER A 38 -16.217 -3.133 10.223 1.00 0.00 O ATOM 548 CB SER A 38 -19.342 -2.203 10.408 1.00 0.00 C ATOM 549 OG SER A 38 -19.353 -3.154 11.459 1.00 0.00 O ATOM 0 H SER A 38 -18.038 -1.840 8.249 1.00 0.00 H new ATOM 0 HA SER A 38 -18.030 -0.568 10.884 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.128 -1.466 10.572 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.562 -2.699 9.462 1.00 0.00 H new ATOM 0 HG SER A 38 -20.230 -3.589 11.497 1.00 0.00 H new ATOM 555 N PRO A 39 -16.734 -2.292 12.248 1.00 0.00 N ATOM 556 CA PRO A 39 -17.540 -1.401 13.088 1.00 0.00 C ATOM 557 C PRO A 39 -17.218 0.070 12.848 1.00 0.00 C ATOM 558 O PRO A 39 -16.266 0.400 12.141 1.00 0.00 O ATOM 559 CB PRO A 39 -17.153 -1.809 14.511 1.00 0.00 C ATOM 560 CG PRO A 39 -15.787 -2.389 14.381 1.00 0.00 C ATOM 561 CD PRO A 39 -15.745 -3.052 13.032 1.00 0.00 C ATOM 0 HA PRO A 39 -18.605 -1.496 12.878 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.156 -0.951 15.183 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.855 -2.537 14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.025 -1.614 14.459 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.591 -3.109 15.176 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.751 -2.996 12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.008 -4.108 13.095 1.00 0.00 H new ATOM 569 N ALA A 40 -18.016 0.950 13.443 1.00 0.00 N ATOM 570 CA ALA A 40 -17.814 2.386 13.297 1.00 0.00 C ATOM 571 C ALA A 40 -16.637 2.864 14.141 1.00 0.00 C ATOM 572 O ALA A 40 -16.259 4.034 14.090 1.00 0.00 O ATOM 573 CB ALA A 40 -19.079 3.139 13.679 1.00 0.00 C ATOM 0 H ALA A 40 -18.809 0.693 14.031 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.584 2.590 12.251 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.913 4.210 13.565 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.898 2.828 13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.334 2.920 14.716 1.00 0.00 H new ATOM 579 N ASN A 41 -16.062 1.951 14.917 1.00 0.00 N ATOM 580 CA ASN A 41 -14.928 2.280 15.773 1.00 0.00 C ATOM 581 C ASN A 41 -13.724 1.402 15.443 1.00 0.00 C ATOM 582 O ASN A 41 -12.946 1.041 16.326 1.00 0.00 O ATOM 583 CB ASN A 41 -15.308 2.110 17.245 1.00 0.00 C ATOM 584 CG ASN A 41 -16.393 3.078 17.678 1.00 0.00 C ATOM 585 OD1 ASN A 41 -16.522 4.170 17.125 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.179 2.680 18.671 1.00 0.00 N ATOM 0 H ASN A 41 -16.363 0.978 14.971 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.658 3.320 15.592 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.648 1.088 17.414 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.424 2.258 17.865 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.927 3.288 19.005 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.035 1.766 19.100 1.00 0.00 H new ATOM 593 N TYR A 42 -13.578 1.065 14.167 1.00 0.00 N ATOM 594 CA TYR A 42 -12.470 0.229 13.720 1.00 0.00 C ATOM 595 C TYR A 42 -11.257 1.080 13.357 1.00 0.00 C ATOM 596 O TYR A 42 -11.373 2.071 12.637 1.00 0.00 O ATOM 597 CB TYR A 42 -12.894 -0.614 12.515 1.00 0.00 C ATOM 598 CG TYR A 42 -11.856 -1.629 12.092 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.747 -1.249 11.347 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.985 -2.969 12.437 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.797 -2.173 10.957 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.040 -3.900 12.053 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.947 -3.497 11.313 1.00 0.00 C ATOM 604 OH TYR A 42 -9.004 -4.422 10.927 1.00 0.00 O ATOM 0 H TYR A 42 -14.213 1.358 13.424 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.194 -0.433 14.540 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.822 -1.133 12.754 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.106 0.048 11.675 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.625 -0.213 11.068 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.839 -3.288 13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.942 -1.860 10.377 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.156 -4.937 12.330 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.259 -5.308 11.260 1.00 0.00 H new ATOM 614 N GLU A 43 -10.093 0.684 13.863 1.00 0.00 N ATOM 615 CA GLU A 43 -8.857 1.411 13.593 1.00 0.00 C ATOM 616 C GLU A 43 -7.676 0.757 14.304 1.00 0.00 C ATOM 617 O GLU A 43 -7.836 0.004 15.265 1.00 0.00 O ATOM 618 CB GLU A 43 -8.990 2.869 14.036 1.00 0.00 C ATOM 619 CG GLU A 43 -9.859 3.054 15.268 1.00 0.00 C ATOM 620 CD GLU A 43 -9.609 4.378 15.965 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.434 4.673 16.272 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.586 5.117 16.204 1.00 0.00 O ATOM 0 H GLU A 43 -9.980 -0.135 14.461 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.674 1.381 12.519 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.997 3.270 14.239 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.408 3.452 13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.909 2.992 14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.671 2.239 15.967 1.00 0.00 H new ATOM 629 N PRO A 44 -6.459 1.051 13.821 1.00 0.00 N ATOM 630 CA PRO A 44 -6.256 1.945 12.677 1.00 0.00 C ATOM 631 C PRO A 44 -6.735 1.329 11.367 1.00 0.00 C ATOM 632 O PRO A 44 -7.169 0.177 11.333 1.00 0.00 O ATOM 633 CB PRO A 44 -4.739 2.147 12.650 1.00 0.00 C ATOM 634 CG PRO A 44 -4.183 0.932 13.310 1.00 0.00 C ATOM 635 CD PRO A 44 -5.188 0.531 14.354 1.00 0.00 C ATOM 0 HA PRO A 44 -6.822 2.871 12.778 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.371 2.246 11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.451 3.054 13.182 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.030 0.131 12.587 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.214 1.142 13.762 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.220 -0.550 14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.952 0.964 15.326 1.00 0.00 H new ATOM 643 N VAL A 45 -6.654 2.104 10.290 1.00 0.00 N ATOM 644 CA VAL A 45 -7.078 1.633 8.977 1.00 0.00 C ATOM 645 C VAL A 45 -5.915 1.637 7.990 1.00 0.00 C ATOM 646 O VAL A 45 -5.021 2.479 8.071 1.00 0.00 O ATOM 647 CB VAL A 45 -8.219 2.500 8.412 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.520 2.214 9.145 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.861 3.976 8.500 1.00 0.00 C ATOM 0 H VAL A 45 -6.299 3.060 10.301 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.437 0.612 9.107 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.358 2.246 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.314 2.836 8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.782 1.163 9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.397 2.438 10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.679 4.573 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.693 4.248 9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.955 4.166 7.925 1.00 0.00 H new ATOM 659 N HIS A 46 -5.935 0.689 7.058 1.00 0.00 N ATOM 660 CA HIS A 46 -4.882 0.583 6.054 1.00 0.00 C ATOM 661 C HIS A 46 -5.391 1.025 4.685 1.00 0.00 C ATOM 662 O HIS A 46 -6.545 0.779 4.332 1.00 0.00 O ATOM 663 CB HIS A 46 -4.363 -0.853 5.978 1.00 0.00 C ATOM 664 CG HIS A 46 -3.929 -1.403 7.302 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.224 -0.665 8.229 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.107 -2.627 7.853 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.985 -1.412 9.292 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.510 -2.606 9.090 1.00 0.00 N ATOM 0 H HIS A 46 -6.668 -0.016 6.977 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.065 1.241 6.349 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.145 -1.492 5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.523 -0.891 5.285 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.622 -3.463 7.404 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.450 -1.099 10.177 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.478 -3.386 9.746 1.00 0.00 H new ATOM 676 N TRP A 47 -4.524 1.679 3.920 1.00 0.00 N ATOM 677 CA TRP A 47 -4.887 2.156 2.590 1.00 0.00 C ATOM 678 C TRP A 47 -3.780 1.858 1.584 1.00 0.00 C ATOM 679 O TRP A 47 -2.611 2.161 1.825 1.00 0.00 O ATOM 680 CB TRP A 47 -5.170 3.658 2.624 1.00 0.00 C ATOM 681 CG TRP A 47 -6.410 4.012 3.389 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.600 3.906 4.737 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.632 4.526 2.848 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.867 4.323 5.067 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.520 4.709 3.927 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.063 4.852 1.559 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.810 5.202 3.753 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.344 5.340 1.388 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.205 5.512 2.480 1.00 0.00 C ATOM 0 H TRP A 47 -3.566 1.891 4.197 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.789 1.630 2.277 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.318 4.171 3.070 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.265 4.026 1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.863 3.547 5.440 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.258 4.342 6.009 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.406 4.725 0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.476 5.335 4.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.688 5.593 0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.200 5.897 2.314 1.00 0.00 H new ATOM 700 N PHE A 48 -4.156 1.262 0.457 1.00 0.00 N ATOM 701 CA PHE A 48 -3.194 0.922 -0.585 1.00 0.00 C ATOM 702 C PHE A 48 -3.640 1.471 -1.937 1.00 0.00 C ATOM 703 O PHE A 48 -4.799 1.848 -2.115 1.00 0.00 O ATOM 704 CB PHE A 48 -3.018 -0.595 -0.671 1.00 0.00 C ATOM 705 CG PHE A 48 -2.521 -1.214 0.605 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.393 -1.478 1.648 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.181 -1.532 0.760 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.938 -2.046 2.823 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.720 -2.101 1.932 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.601 -2.359 2.965 1.00 0.00 C ATOM 0 H PHE A 48 -5.119 1.005 0.242 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.238 1.377 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.972 -1.049 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.319 -0.827 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.440 -1.237 1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.489 -1.333 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.628 -2.245 3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.327 -2.344 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.244 -2.805 3.882 1.00 0.00 H new ATOM 720 N LEU A 49 -2.713 1.513 -2.887 1.00 0.00 N ATOM 721 CA LEU A 49 -3.009 2.016 -4.224 1.00 0.00 C ATOM 722 C LEU A 49 -2.279 1.201 -5.286 1.00 0.00 C ATOM 723 O LEU A 49 -1.072 1.349 -5.476 1.00 0.00 O ATOM 724 CB LEU A 49 -2.614 3.490 -4.335 1.00 0.00 C ATOM 725 CG LEU A 49 -2.873 4.154 -5.688 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.676 3.974 -6.609 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.131 3.587 -6.328 1.00 0.00 C ATOM 0 H LEU A 49 -1.749 1.205 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.082 1.920 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.153 4.049 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.552 3.579 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.022 5.221 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.879 4.453 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.796 4.429 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.495 2.911 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.300 4.071 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.011 2.514 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.985 3.769 -5.676 1.00 0.00 H new ATOM 739 N ASP A 50 -3.020 0.342 -5.978 1.00 0.00 N ATOM 740 CA ASP A 50 -2.445 -0.495 -7.024 1.00 0.00 C ATOM 741 C ASP A 50 -1.489 -1.526 -6.432 1.00 0.00 C ATOM 742 O ASP A 50 -1.841 -2.695 -6.271 1.00 0.00 O ATOM 743 CB ASP A 50 -1.710 0.369 -8.051 1.00 0.00 C ATOM 744 CG ASP A 50 -2.429 0.420 -9.385 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.678 0.427 -9.385 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.744 0.452 -10.428 1.00 0.00 O ATOM 0 H ASP A 50 -4.021 0.207 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.259 -1.024 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.603 1.381 -7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.704 -0.024 -8.199 1.00 0.00 H new ATOM 751 N LYS A 51 -0.278 -1.085 -6.109 1.00 0.00 N ATOM 752 CA LYS A 51 0.730 -1.968 -5.533 1.00 0.00 C ATOM 753 C LYS A 51 1.681 -1.192 -4.629 1.00 0.00 C ATOM 754 O LYS A 51 2.891 -1.423 -4.638 1.00 0.00 O ATOM 755 CB LYS A 51 1.519 -2.666 -6.643 1.00 0.00 C ATOM 756 CG LYS A 51 0.658 -3.516 -7.561 1.00 0.00 C ATOM 757 CD LYS A 51 1.474 -4.120 -8.691 1.00 0.00 C ATOM 758 CE LYS A 51 0.651 -5.104 -9.509 1.00 0.00 C ATOM 759 NZ LYS A 51 1.357 -5.517 -10.753 1.00 0.00 N ATOM 0 H LYS A 51 0.030 -0.121 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 51 0.218 -2.719 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.036 -1.913 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.285 -3.296 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.187 -4.313 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.144 -2.906 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.843 -3.326 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.347 -4.627 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.433 -5.985 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.306 -4.650 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.764 -6.187 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.543 -4.680 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.258 -5.973 -10.506 1.00 0.00 H new ATOM 773 N THR A 52 1.127 -0.271 -3.846 1.00 0.00 N ATOM 774 CA THR A 52 1.927 0.539 -2.936 1.00 0.00 C ATOM 775 C THR A 52 1.104 0.989 -1.734 1.00 0.00 C ATOM 776 O THR A 52 -0.020 1.474 -1.867 1.00 0.00 O ATOM 777 CB THR A 52 2.500 1.781 -3.644 1.00 0.00 C ATOM 778 OG1 THR A 52 3.181 1.390 -4.842 1.00 0.00 O ATOM 779 CG2 THR A 52 3.458 2.531 -2.731 1.00 0.00 C ATOM 0 H THR A 52 0.128 -0.068 -3.824 1.00 0.00 H new ATOM 0 HA THR A 52 2.751 -0.088 -2.596 1.00 0.00 H new ATOM 0 HB THR A 52 1.672 2.443 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.541 2.185 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.850 3.404 -3.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.929 2.852 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.283 1.875 -2.451 1.00 0.00 H new ATOM 787 N PRO A 53 1.674 0.825 -0.531 1.00 0.00 N ATOM 788 CA PRO A 53 1.011 1.210 0.719 1.00 0.00 C ATOM 789 C PRO A 53 0.893 2.722 0.871 1.00 0.00 C ATOM 790 O PRO A 53 1.651 3.479 0.261 1.00 0.00 O ATOM 791 CB PRO A 53 1.928 0.633 1.800 1.00 0.00 C ATOM 792 CG PRO A 53 3.268 0.550 1.154 1.00 0.00 C ATOM 793 CD PRO A 53 3.011 0.253 -0.298 1.00 0.00 C ATOM 0 HA PRO A 53 -0.013 0.839 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.952 1.273 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.585 -0.348 2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.816 1.485 1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.874 -0.233 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.762 0.712 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.031 -0.818 -0.499 1.00 0.00 H new ATOM 801 N LEU A 54 -0.060 3.158 1.688 1.00 0.00 N ATOM 802 CA LEU A 54 -0.276 4.582 1.921 1.00 0.00 C ATOM 803 C LEU A 54 -0.398 4.877 3.413 1.00 0.00 C ATOM 804 O LEU A 54 -1.069 4.150 4.147 1.00 0.00 O ATOM 805 CB LEU A 54 -1.535 5.052 1.191 1.00 0.00 C ATOM 806 CG LEU A 54 -1.530 4.889 -0.329 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.942 4.655 -0.845 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.913 6.111 -0.994 1.00 0.00 C ATOM 0 H LEU A 54 -0.695 2.546 2.200 1.00 0.00 H new ATOM 0 HA LEU A 54 0.586 5.124 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.389 4.506 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.693 6.105 1.423 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.924 4.018 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.919 4.541 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.349 3.750 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.571 5.506 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.918 5.978 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.492 6.997 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.113 6.234 -0.648 1.00 0.00 H new ATOM 820 N HIS A 55 0.252 5.949 3.854 1.00 0.00 N ATOM 821 CA HIS A 55 0.214 6.342 5.258 1.00 0.00 C ATOM 822 C HIS A 55 0.127 7.859 5.395 1.00 0.00 C ATOM 823 O HIS A 55 0.724 8.598 4.613 1.00 0.00 O ATOM 824 CB HIS A 55 1.452 5.823 5.989 1.00 0.00 C ATOM 825 CG HIS A 55 1.772 4.392 5.683 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.065 3.333 6.214 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.728 3.847 4.895 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.574 2.199 5.766 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.584 2.483 4.964 1.00 0.00 N ATOM 0 H HIS A 55 0.811 6.561 3.260 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.676 5.902 5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.308 6.443 5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.302 5.932 7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.467 4.385 4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.224 1.208 6.014 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.163 1.800 4.475 1.00 0.00 H new ATOM 837 N ALA A 56 -0.622 8.316 6.394 1.00 0.00 N ATOM 838 CA ALA A 56 -0.786 9.744 6.634 1.00 0.00 C ATOM 839 C ALA A 56 0.566 10.446 6.719 1.00 0.00 C ATOM 840 O ALA A 56 1.502 9.937 7.334 1.00 0.00 O ATOM 841 CB ALA A 56 -1.584 9.977 7.908 1.00 0.00 C ATOM 0 H ALA A 56 -1.124 7.718 7.050 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.334 10.168 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.699 11.048 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.568 9.518 7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.058 9.533 8.753 1.00 0.00 H new ATOM 847 N ASN A 57 0.660 11.616 6.096 1.00 0.00 N ATOM 848 CA ASN A 57 1.899 12.386 6.100 1.00 0.00 C ATOM 849 C ASN A 57 1.636 13.840 5.717 1.00 0.00 C ATOM 850 O ASN A 57 0.488 14.274 5.641 1.00 0.00 O ATOM 851 CB ASN A 57 2.912 11.768 5.136 1.00 0.00 C ATOM 852 CG ASN A 57 4.278 11.589 5.769 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.390 11.194 6.929 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.326 11.880 5.007 1.00 0.00 N ATOM 0 H ASN A 57 -0.106 12.052 5.582 1.00 0.00 H new ATOM 0 HA ASN A 57 2.309 12.363 7.110 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.543 10.800 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.004 12.402 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.271 11.779 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.186 12.204 4.050 1.00 0.00 H new ATOM 861 N GLU A 58 2.710 14.586 5.477 1.00 0.00 N ATOM 862 CA GLU A 58 2.596 15.990 5.102 1.00 0.00 C ATOM 863 C GLU A 58 1.637 16.163 3.927 1.00 0.00 C ATOM 864 O GLU A 58 0.985 17.199 3.790 1.00 0.00 O ATOM 865 CB GLU A 58 3.970 16.559 4.741 1.00 0.00 C ATOM 866 CG GLU A 58 3.912 17.947 4.128 1.00 0.00 C ATOM 867 CD GLU A 58 4.919 18.899 4.743 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.727 19.293 5.913 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.900 19.250 4.055 1.00 0.00 O ATOM 0 H GLU A 58 3.668 14.241 5.536 1.00 0.00 H new ATOM 0 HA GLU A 58 2.198 16.536 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.587 16.593 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.462 15.883 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.094 17.874 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.909 18.354 4.254 1.00 0.00 H new ATOM 876 N LEU A 59 1.558 15.142 3.081 1.00 0.00 N ATOM 877 CA LEU A 59 0.680 15.179 1.916 1.00 0.00 C ATOM 878 C LEU A 59 -0.532 14.275 2.118 1.00 0.00 C ATOM 879 O LEU A 59 -1.670 14.690 1.905 1.00 0.00 O ATOM 880 CB LEU A 59 1.445 14.753 0.662 1.00 0.00 C ATOM 881 CG LEU A 59 2.756 15.493 0.391 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.404 14.980 -0.885 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.512 16.993 0.302 1.00 0.00 C ATOM 0 H LEU A 59 2.091 14.278 3.180 1.00 0.00 H new ATOM 0 HA LEU A 59 0.329 16.203 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.662 13.687 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.792 14.885 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 59 3.437 15.304 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.335 15.518 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.614 13.915 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.728 15.139 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.455 17.504 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.814 17.201 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.092 17.350 1.242 1.00 0.00 H new ATOM 895 N ASN A 60 -0.278 13.038 2.533 1.00 0.00 N ATOM 896 CA ASN A 60 -1.349 12.076 2.766 1.00 0.00 C ATOM 897 C ASN A 60 -2.223 12.507 3.940 1.00 0.00 C ATOM 898 O ASN A 60 -1.718 12.947 4.972 1.00 0.00 O ATOM 899 CB ASN A 60 -0.765 10.687 3.034 1.00 0.00 C ATOM 900 CG ASN A 60 0.165 10.228 1.928 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.239 10.796 1.728 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.244 9.193 1.203 1.00 0.00 N ATOM 0 H ASN A 60 0.659 12.679 2.715 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.969 12.037 1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.222 10.700 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.578 9.969 3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.340 8.839 0.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.142 8.753 1.404 1.00 0.00 H new ATOM 909 N GLU A 61 -3.535 12.378 3.773 1.00 0.00 N ATOM 910 CA GLU A 61 -4.479 12.755 4.818 1.00 0.00 C ATOM 911 C GLU A 61 -5.514 11.656 5.039 1.00 0.00 C ATOM 912 O GLU A 61 -6.176 11.215 4.099 1.00 0.00 O ATOM 913 CB GLU A 61 -5.179 14.066 4.455 1.00 0.00 C ATOM 914 CG GLU A 61 -5.156 15.097 5.571 1.00 0.00 C ATOM 915 CD GLU A 61 -6.438 15.904 5.646 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.414 15.409 6.249 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.466 17.028 5.104 1.00 0.00 O ATOM 0 H GLU A 61 -3.968 12.015 2.924 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.920 12.895 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.703 14.490 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.215 13.854 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.992 14.593 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.314 15.773 5.419 1.00 0.00 H new ATOM 924 N ILE A 62 -5.648 11.219 6.286 1.00 0.00 N ATOM 925 CA ILE A 62 -6.602 10.172 6.631 1.00 0.00 C ATOM 926 C ILE A 62 -7.423 10.559 7.856 1.00 0.00 C ATOM 927 O ILE A 62 -6.942 10.484 8.987 1.00 0.00 O ATOM 928 CB ILE A 62 -5.894 8.832 6.903 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.117 8.380 5.664 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.906 7.773 7.315 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.717 7.898 5.972 1.00 0.00 C ATOM 0 H ILE A 62 -5.108 11.574 7.075 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.265 10.055 5.774 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.188 8.970 7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.668 7.579 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.060 9.209 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.391 6.831 7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.420 8.094 8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.634 7.634 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.225 7.594 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.149 8.704 6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.766 7.049 6.653 1.00 0.00 H new ATOM 943 N ASP A 63 -8.665 10.970 7.624 1.00 0.00 N ATOM 944 CA ASP A 63 -9.555 11.365 8.709 1.00 0.00 C ATOM 945 C ASP A 63 -10.386 10.180 9.190 1.00 0.00 C ATOM 946 O ASP A 63 -10.256 9.069 8.676 1.00 0.00 O ATOM 947 CB ASP A 63 -10.476 12.499 8.255 1.00 0.00 C ATOM 948 CG ASP A 63 -10.229 13.786 9.016 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.165 14.406 8.806 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.100 14.174 9.823 1.00 0.00 O ATOM 0 H ASP A 63 -9.078 11.038 6.694 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.942 11.716 9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.330 12.677 7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.514 12.195 8.388 1.00 0.00 H new ATOM 955 N ALA A 64 -11.238 10.424 10.180 1.00 0.00 N ATOM 956 CA ALA A 64 -12.091 9.377 10.730 1.00 0.00 C ATOM 957 C ALA A 64 -13.453 9.933 11.132 1.00 0.00 C ATOM 958 O ALA A 64 -13.788 9.980 12.315 1.00 0.00 O ATOM 959 CB ALA A 64 -11.414 8.717 11.922 1.00 0.00 C ATOM 0 H ALA A 64 -11.356 11.338 10.618 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.249 8.627 9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.062 7.937 12.323 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.469 8.276 11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.226 9.464 12.693 1.00 0.00 H new ATOM 965 N GLN A 65 -14.232 10.352 10.141 1.00 0.00 N ATOM 966 CA GLN A 65 -15.557 10.906 10.393 1.00 0.00 C ATOM 967 C GLN A 65 -16.383 9.966 11.264 1.00 0.00 C ATOM 968 O GLN A 65 -16.096 8.774 11.379 1.00 0.00 O ATOM 969 CB GLN A 65 -16.283 11.168 9.073 1.00 0.00 C ATOM 970 CG GLN A 65 -16.053 12.565 8.519 1.00 0.00 C ATOM 971 CD GLN A 65 -16.654 12.752 7.139 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.765 12.295 6.867 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.922 13.426 6.261 1.00 0.00 N ATOM 0 H GLN A 65 -13.969 10.319 9.156 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.434 11.850 10.925 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.955 10.435 8.336 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.352 11.016 9.220 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.484 13.298 9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.982 12.762 8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.007 13.787 6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.275 13.583 5.317 1.00 0.00 H new ATOM 982 N PRO A 66 -17.435 10.511 11.893 1.00 0.00 N ATOM 983 CA PRO A 66 -18.324 9.738 12.764 1.00 0.00 C ATOM 984 C PRO A 66 -19.181 8.746 11.985 1.00 0.00 C ATOM 985 O PRO A 66 -19.513 8.977 10.823 1.00 0.00 O ATOM 986 CB PRO A 66 -19.204 10.810 13.413 1.00 0.00 C ATOM 987 CG PRO A 66 -19.194 11.944 12.448 1.00 0.00 C ATOM 988 CD PRO A 66 -17.836 11.925 11.801 1.00 0.00 C ATOM 0 HA PRO A 66 -17.768 9.132 13.479 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.216 10.442 13.581 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.809 11.112 14.383 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.982 11.830 11.704 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.371 12.891 12.957 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.879 12.264 10.766 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.134 12.577 12.321 1.00 0.00 H new ATOM 996 N GLY A 67 -19.536 7.641 12.633 1.00 0.00 N ATOM 997 CA GLY A 67 -20.351 6.630 11.985 1.00 0.00 C ATOM 998 C GLY A 67 -19.526 5.655 11.170 1.00 0.00 C ATOM 999 O GLY A 67 -20.061 4.917 10.343 1.00 0.00 O ATOM 0 H GLY A 67 -19.274 7.428 13.595 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.913 6.082 12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.079 7.116 11.336 1.00 0.00 H new ATOM 1003 N GLY A 68 -18.216 5.651 11.402 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.336 4.756 10.673 1.00 0.00 C ATOM 1005 C GLY A 68 -17.079 5.224 9.255 1.00 0.00 C ATOM 1006 O GLY A 68 -17.112 4.429 8.315 1.00 0.00 O ATOM 0 H GLY A 68 -17.749 6.251 12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.387 4.673 11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.776 3.759 10.649 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.823 6.518 9.098 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.562 7.091 7.783 1.00 0.00 C ATOM 1012 C TYR A 69 -15.095 7.484 7.640 1.00 0.00 C ATOM 1013 O TYR A 69 -14.669 8.530 8.132 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.454 8.313 7.550 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.782 7.980 6.908 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.779 7.330 7.626 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.039 8.314 5.585 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.993 7.023 7.043 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.251 8.013 4.995 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.225 7.367 5.728 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.433 7.064 5.143 1.00 0.00 O ATOM 0 H TYR A 69 -16.791 7.190 9.865 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.791 6.333 7.033 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.635 8.807 8.504 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.923 9.025 6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.602 7.061 8.657 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.278 8.818 5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.757 6.516 7.614 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.435 8.282 3.965 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.434 7.375 4.214 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.326 6.638 6.963 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.906 6.896 6.753 1.00 0.00 C ATOM 1033 C HIS A 70 -12.679 7.668 5.457 1.00 0.00 C ATOM 1034 O HIS A 70 -12.994 7.182 4.370 1.00 0.00 O ATOM 1035 CB HIS A 70 -12.126 5.581 6.720 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.103 4.865 8.036 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.383 5.313 9.123 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.719 3.728 8.436 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.555 4.481 10.135 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.362 3.511 9.744 1.00 0.00 N ATOM 0 H HIS A 70 -14.662 5.768 6.550 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.546 7.503 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.565 4.926 5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.101 5.783 6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.370 3.107 7.838 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.111 4.578 11.115 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.670 2.728 10.320 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.131 8.873 5.579 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.862 9.712 4.417 1.00 0.00 C ATOM 1050 C VAL A 71 -10.366 9.808 4.144 1.00 0.00 C ATOM 1051 O VAL A 71 -9.566 9.990 5.063 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.432 11.130 4.606 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.261 11.948 3.334 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.895 11.067 5.016 1.00 0.00 C ATOM 0 H VAL A 71 -11.865 9.290 6.471 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.353 9.242 3.565 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.876 11.622 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.670 12.947 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.201 12.023 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.789 11.461 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.281 12.078 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.468 10.556 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.986 10.521 5.955 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.993 9.686 2.875 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.591 9.761 2.479 1.00 0.00 C ATOM 1066 C LEU A 72 -8.373 10.864 1.449 1.00 0.00 C ATOM 1067 O LEU A 72 -8.892 10.799 0.333 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.129 8.418 1.910 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.703 8.377 1.359 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.716 8.025 2.461 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.603 7.381 0.212 1.00 0.00 C ATOM 0 H LEU A 72 -10.642 9.535 2.103 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.002 9.996 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.216 7.665 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.814 8.129 1.113 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.452 9.367 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.706 8.000 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.769 8.775 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.964 7.047 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.581 7.365 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.873 6.387 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.283 7.677 -0.587 1.00 0.00 H new ATOM 1083 N THR A 73 -7.601 11.878 1.828 1.00 0.00 N ATOM 1084 CA THR A 73 -7.314 12.995 0.938 1.00 0.00 C ATOM 1085 C THR A 73 -5.849 13.002 0.519 1.00 0.00 C ATOM 1086 O THR A 73 -5.004 13.598 1.189 1.00 0.00 O ATOM 1087 CB THR A 73 -7.653 14.344 1.601 1.00 0.00 C ATOM 1088 OG1 THR A 73 -9.038 14.376 1.966 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.344 15.501 0.664 1.00 0.00 C ATOM 0 H THR A 73 -7.163 11.948 2.747 1.00 0.00 H new ATOM 0 HA THR A 73 -7.941 12.865 0.056 1.00 0.00 H new ATOM 0 HB THR A 73 -7.039 14.448 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.245 15.236 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.592 16.442 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.284 15.491 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.935 15.400 -0.246 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.552 12.337 -0.592 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.187 12.267 -1.101 1.00 0.00 C ATOM 1099 C LEU A 74 -3.795 13.571 -1.788 1.00 0.00 C ATOM 1100 O LEU A 74 -4.117 13.791 -2.956 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.045 11.100 -2.079 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.911 9.712 -1.451 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.341 8.637 -2.438 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.482 9.472 -0.988 1.00 0.00 C ATOM 0 H LEU A 74 -6.239 11.838 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.518 12.107 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.913 11.097 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.171 11.280 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.566 9.662 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.239 7.656 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.381 8.798 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.711 8.686 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.405 8.480 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.807 9.541 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.209 10.223 -0.247 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.095 14.433 -1.056 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.658 15.715 -1.595 1.00 0.00 C ATOM 1118 C ARG A 75 -1.376 15.554 -2.406 1.00 0.00 C ATOM 1119 O ARG A 75 -0.533 14.714 -2.092 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.436 16.719 -0.463 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.585 16.781 0.530 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.631 18.122 1.245 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.211 19.169 0.409 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.507 20.386 0.853 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -4.277 20.707 2.119 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.033 21.284 0.031 1.00 0.00 N ATOM 0 H ARG A 75 -2.819 14.266 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.440 16.090 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.521 16.458 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.284 17.709 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.527 16.613 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.478 15.980 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.214 18.025 2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.622 18.411 1.539 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.399 18.954 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.872 20.019 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.505 21.642 2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.211 21.041 -0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.260 22.218 0.373 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.236 16.365 -3.450 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.057 16.311 -4.307 1.00 0.00 C ATOM 1142 C GLN A 76 0.084 14.937 -4.953 1.00 0.00 C ATOM 1143 O GLN A 76 1.057 14.222 -4.710 1.00 0.00 O ATOM 1144 CB GLN A 76 1.200 16.640 -3.500 1.00 0.00 C ATOM 1145 CG GLN A 76 1.139 17.988 -2.801 1.00 0.00 C ATOM 1146 CD GLN A 76 2.508 18.504 -2.406 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.487 17.758 -2.400 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.585 19.788 -2.076 1.00 0.00 N ATOM 0 H GLN A 76 -1.924 17.067 -3.723 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.178 17.052 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.357 15.860 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.063 16.624 -4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.658 18.712 -3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.516 17.903 -1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.748 20.370 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.481 20.192 -1.804 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.893 14.573 -5.777 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.878 13.283 -6.459 1.00 0.00 C ATOM 1159 C LEU A 77 -0.087 13.365 -7.761 1.00 0.00 C ATOM 1160 O LEU A 77 0.433 14.422 -8.117 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.307 12.819 -6.745 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.080 12.253 -5.553 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.575 12.452 -5.743 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.756 10.779 -5.359 1.00 0.00 C ATOM 0 H LEU A 77 -1.705 15.153 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.392 12.559 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.868 13.662 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.271 12.058 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.774 12.793 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.108 12.043 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.792 13.517 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.898 11.939 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.315 10.393 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.033 10.225 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.688 10.662 -5.176 1.00 0.00 H new ATOM 1176 N ALA A 78 -0.004 12.243 -8.468 1.00 0.00 N ATOM 1177 CA ALA A 78 0.719 12.188 -9.732 1.00 0.00 C ATOM 1178 C ALA A 78 0.009 11.281 -10.731 1.00 0.00 C ATOM 1179 O ALA A 78 -0.791 10.426 -10.350 1.00 0.00 O ATOM 1180 CB ALA A 78 2.146 11.712 -9.504 1.00 0.00 C ATOM 0 H ALA A 78 -0.429 11.359 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 78 0.747 13.194 -10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.674 11.676 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.657 12.402 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.131 10.717 -9.059 1.00 0.00 H new ATOM 1186 N LEU A 79 0.307 11.473 -12.012 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.304 10.672 -13.067 1.00 0.00 C ATOM 1188 C LEU A 79 -0.002 9.190 -12.870 1.00 0.00 C ATOM 1189 O LEU A 79 -0.708 8.326 -13.390 1.00 0.00 O ATOM 1190 CB LEU A 79 0.201 11.128 -14.437 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.088 12.583 -14.808 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.773 13.015 -15.985 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.564 12.769 -15.129 1.00 0.00 C ATOM 0 H LEU A 79 0.967 12.176 -12.345 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.384 10.814 -13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.279 10.971 -14.475 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.242 10.485 -15.198 1.00 0.00 H new ATOM 0 HG LEU A 79 0.160 13.212 -13.953 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.554 14.053 -16.235 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.826 12.920 -15.720 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.557 12.381 -16.845 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.751 13.810 -15.391 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.837 12.129 -15.968 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.162 12.501 -14.258 1.00 0.00 H new ATOM 1205 N LYS A 80 1.051 8.902 -12.112 1.00 0.00 N ATOM 1206 CA LYS A 80 1.445 7.524 -11.841 1.00 0.00 C ATOM 1207 C LYS A 80 0.564 6.909 -10.759 1.00 0.00 C ATOM 1208 O LYS A 80 0.422 5.688 -10.681 1.00 0.00 O ATOM 1209 CB LYS A 80 2.913 7.468 -11.412 1.00 0.00 C ATOM 1210 CG LYS A 80 3.215 8.285 -10.168 1.00 0.00 C ATOM 1211 CD LYS A 80 4.610 8.886 -10.221 1.00 0.00 C ATOM 1212 CE LYS A 80 5.070 9.349 -8.847 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.333 10.134 -8.920 1.00 0.00 N ATOM 0 H LYS A 80 1.647 9.605 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 80 1.318 6.948 -12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.190 6.430 -11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.536 7.826 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.478 9.082 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.124 7.652 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.311 8.148 -10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.618 9.729 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.290 9.958 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.218 8.482 -8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.613 10.431 -7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.084 9.545 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.185 10.975 -9.514 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.025 7.760 -9.927 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.895 7.300 -8.851 1.00 0.00 C ATOM 1229 C ASP A 81 -2.173 6.684 -9.411 1.00 0.00 C ATOM 1230 O ASP A 81 -2.840 5.896 -8.740 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.240 8.459 -7.914 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.392 8.012 -6.473 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.361 7.727 -5.828 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.541 7.950 -5.990 1.00 0.00 O ATOM 0 H ASP A 81 0.084 8.773 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.361 6.535 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.459 9.217 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.167 8.927 -8.246 1.00 0.00 H new ATOM 1239 N SER A 82 -2.510 7.050 -10.644 1.00 0.00 N ATOM 1240 CA SER A 82 -3.711 6.538 -11.292 1.00 0.00 C ATOM 1241 C SER A 82 -3.761 5.015 -11.218 1.00 0.00 C ATOM 1242 O SER A 82 -3.001 4.324 -11.896 1.00 0.00 O ATOM 1243 CB SER A 82 -3.760 6.991 -12.753 1.00 0.00 C ATOM 1244 OG SER A 82 -3.256 8.307 -12.896 1.00 0.00 O ATOM 0 H SER A 82 -1.968 7.699 -11.214 1.00 0.00 H new ATOM 0 HA SER A 82 -4.577 6.938 -10.765 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.177 6.306 -13.369 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.787 6.950 -13.115 1.00 0.00 H new ATOM 0 HG SER A 82 -2.304 8.270 -13.127 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.662 4.498 -10.388 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.795 3.060 -10.240 1.00 0.00 C ATOM 1252 C GLY A 83 -6.109 2.663 -9.597 1.00 0.00 C ATOM 1253 O GLY A 83 -7.180 2.892 -10.160 1.00 0.00 O ATOM 0 H GLY A 83 -5.302 5.049 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.716 2.588 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.970 2.682 -9.637 1.00 0.00 H new ATOM 1257 N THR A 84 -6.029 2.064 -8.412 1.00 0.00 N ATOM 1258 CA THR A 84 -7.221 1.632 -7.693 1.00 0.00 C ATOM 1259 C THR A 84 -6.947 1.513 -6.198 1.00 0.00 C ATOM 1260 O THR A 84 -6.172 0.661 -5.765 1.00 0.00 O ATOM 1261 CB THR A 84 -7.733 0.277 -8.218 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.900 0.334 -9.639 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.055 -0.093 -7.562 1.00 0.00 C ATOM 0 H THR A 84 -5.151 1.867 -7.931 1.00 0.00 H new ATOM 0 HA THR A 84 -7.985 2.391 -7.861 1.00 0.00 H new ATOM 0 HB THR A 84 -6.996 -0.486 -7.969 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.224 -0.531 -9.965 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.397 -1.053 -7.948 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.918 -0.164 -6.483 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.798 0.673 -7.784 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.589 2.373 -5.414 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.416 2.363 -3.967 1.00 0.00 C ATOM 1273 C ILE A 85 -7.904 1.050 -3.364 1.00 0.00 C ATOM 1274 O ILE A 85 -9.081 0.706 -3.468 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.169 3.531 -3.302 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.678 4.867 -3.862 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.989 3.485 -1.792 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.227 5.157 -3.549 1.00 0.00 C ATOM 0 H ILE A 85 -8.234 3.085 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.349 2.473 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.232 3.434 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.816 4.871 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.296 5.670 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.527 4.316 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.382 2.544 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.929 3.562 -1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.948 6.120 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.087 5.186 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.599 4.375 -3.976 1.00 0.00 H new ATOM 1290 N TYR A 86 -6.991 0.320 -2.733 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.327 -0.956 -2.113 1.00 0.00 C ATOM 1292 C TYR A 86 -7.372 -0.829 -0.593 1.00 0.00 C ATOM 1293 O TYR A 86 -6.380 -1.078 0.092 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.311 -2.026 -2.516 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.574 -2.628 -3.878 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.609 -3.534 -4.071 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.787 -2.290 -4.972 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.852 -4.087 -5.313 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -6.024 -2.837 -6.219 1.00 0.00 C ATOM 1300 CZ TYR A 86 -7.057 -3.735 -6.384 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.297 -4.283 -7.623 1.00 0.00 O ATOM 0 H TYR A 86 -6.012 0.590 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.316 -1.252 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.313 -1.589 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.317 -2.820 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.235 -3.811 -3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.976 -1.588 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.660 -4.791 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.404 -2.563 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.649 -3.930 -8.268 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.531 -0.440 -0.073 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.708 -0.279 1.365 1.00 0.00 C ATOM 1313 C PHE A 87 -8.610 -1.624 2.079 1.00 0.00 C ATOM 1314 O PHE A 87 -8.947 -2.663 1.514 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.059 0.374 1.665 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.333 0.539 3.132 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.728 1.555 3.854 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.196 -0.323 3.791 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.978 1.710 5.204 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.450 -0.173 5.141 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.840 0.844 5.849 1.00 0.00 C ATOM 0 H PHE A 87 -9.362 -0.230 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.911 0.367 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.095 1.352 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.851 -0.229 1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.053 2.234 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.675 -1.121 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.500 2.507 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.125 -0.851 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.036 0.962 6.904 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.146 -1.593 3.325 1.00 0.00 N ATOM 1332 CA GLU A 88 -8.003 -2.810 4.116 1.00 0.00 C ATOM 1333 C GLU A 88 -8.543 -2.608 5.528 1.00 0.00 C ATOM 1334 O GLU A 88 -8.245 -1.608 6.181 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.534 -3.236 4.175 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.172 -4.316 3.169 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.692 -4.645 3.175 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.074 -4.582 4.257 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.153 -4.966 2.095 1.00 0.00 O ATOM 0 H GLU A 88 -7.863 -0.740 3.807 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.583 -3.597 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.904 -2.364 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.309 -3.596 5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.742 -5.219 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.464 -3.990 2.171 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.339 -3.565 5.994 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.920 -3.493 7.329 1.00 0.00 C ATOM 1348 C ALA A 89 -10.444 -4.854 7.773 1.00 0.00 C ATOM 1349 O ALA A 89 -11.566 -5.236 7.445 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.036 -2.459 7.364 1.00 0.00 C ATOM 0 H ALA A 89 -9.596 -4.399 5.467 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.137 -3.190 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.461 -2.416 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.635 -1.481 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.813 -2.738 6.653 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.622 -5.584 8.522 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.020 -6.895 8.999 1.00 0.00 C ATOM 1358 C GLY A 90 -9.945 -7.953 7.916 1.00 0.00 C ATOM 1359 O GLY A 90 -8.859 -8.299 7.451 1.00 0.00 O ATOM 0 H GLY A 90 -8.688 -5.290 8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.379 -7.185 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.039 -6.845 9.384 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.101 -8.469 7.514 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.162 -9.495 6.479 1.00 0.00 C ATOM 1365 C ASP A 91 -11.867 -8.968 5.233 1.00 0.00 C ATOM 1366 O ASP A 91 -12.377 -9.742 4.423 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.886 -10.736 7.003 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.589 -11.972 6.176 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.423 -12.420 6.176 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -12.522 -12.491 5.530 1.00 0.00 O ATOM 0 H ASP A 91 -12.009 -8.194 7.889 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.141 -9.766 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.592 -10.915 8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.960 -10.553 7.004 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.892 -7.647 5.087 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.536 -7.017 3.941 1.00 0.00 C ATOM 1377 C GLN A 92 -11.548 -6.149 3.170 1.00 0.00 C ATOM 1378 O GLN A 92 -10.512 -5.748 3.702 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.727 -6.173 4.398 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.839 -6.986 5.040 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.603 -7.825 4.035 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.300 -7.296 3.169 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.475 -9.143 4.145 1.00 0.00 N ATOM 0 H GLN A 92 -11.474 -6.993 5.748 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.892 -7.806 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.379 -5.424 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.131 -5.635 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.413 -7.638 5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.531 -6.312 5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.887 -9.539 4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.965 -9.759 3.496 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.873 -5.863 1.913 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.013 -5.043 1.069 1.00 0.00 C ATOM 1394 C ARG A 93 -11.829 -4.318 0.003 1.00 0.00 C ATOM 1395 O ARG A 93 -12.506 -4.947 -0.810 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.941 -5.909 0.404 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.678 -5.143 0.042 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.813 -5.925 -0.933 1.00 0.00 C ATOM 1399 NE ARG A 93 -6.542 -6.328 -0.337 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.402 -7.390 0.448 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.449 -8.154 0.728 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.213 -7.692 0.953 1.00 0.00 N ATOM 0 H ARG A 93 -12.726 -6.187 1.457 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.529 -4.298 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.680 -6.728 1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.356 -6.357 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.947 -4.183 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.108 -4.931 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.354 -6.811 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.622 -5.316 -1.817 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.716 -5.763 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.365 -7.927 0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.339 -8.969 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.405 -7.108 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.107 -8.508 1.556 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.759 -2.991 0.013 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.490 -2.180 -0.954 1.00 0.00 C ATOM 1418 C ALA A 94 -11.678 -1.982 -2.229 1.00 0.00 C ATOM 1419 O ALA A 94 -10.519 -2.387 -2.308 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.856 -0.835 -0.345 1.00 0.00 C ATOM 0 H ALA A 94 -11.204 -2.455 0.680 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.406 -2.709 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.401 -0.240 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.482 -0.992 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.947 -0.308 -0.054 1.00 0.00 H new ATOM 1426 N SER A 95 -12.296 -1.358 -3.227 1.00 0.00 N ATOM 1427 CA SER A 95 -11.632 -1.111 -4.502 1.00 0.00 C ATOM 1428 C SER A 95 -12.344 -0.009 -5.281 1.00 0.00 C ATOM 1429 O SER A 95 -13.450 -0.205 -5.783 1.00 0.00 O ATOM 1430 CB SER A 95 -11.587 -2.393 -5.335 1.00 0.00 C ATOM 1431 OG SER A 95 -12.892 -2.898 -5.564 1.00 0.00 O ATOM 0 H SER A 95 -13.255 -1.014 -3.177 1.00 0.00 H new ATOM 0 HA SER A 95 -10.613 -0.785 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.098 -2.194 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.988 -3.144 -4.820 1.00 0.00 H new ATOM 0 HG SER A 95 -13.504 -2.154 -5.743 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.700 1.150 -5.377 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.270 2.283 -6.095 1.00 0.00 C ATOM 1439 C ALA A 96 -11.374 2.703 -7.255 1.00 0.00 C ATOM 1440 O ALA A 96 -10.149 2.707 -7.136 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.493 3.451 -5.147 1.00 0.00 C ATOM 0 H ALA A 96 -10.783 1.329 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.232 1.975 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.919 4.290 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.179 3.151 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.541 3.751 -4.709 1.00 0.00 H new ATOM 1447 N ALA A 97 -11.993 3.057 -8.377 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.251 3.481 -9.558 1.00 0.00 C ATOM 1449 C ALA A 97 -10.582 4.832 -9.330 1.00 0.00 C ATOM 1450 O ALA A 97 -11.225 5.879 -9.425 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.173 3.543 -10.767 1.00 0.00 C ATOM 0 H ALA A 97 -13.006 3.058 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.469 2.746 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.605 3.861 -11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.600 2.557 -10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.975 4.256 -10.576 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.289 4.803 -9.030 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.532 6.027 -8.788 1.00 0.00 C ATOM 1459 C LEU A 98 -7.974 6.589 -10.091 1.00 0.00 C ATOM 1460 O LEU A 98 -6.887 6.209 -10.528 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.391 5.759 -7.805 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.305 6.832 -7.728 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.927 8.209 -7.554 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.339 6.533 -6.591 1.00 0.00 C ATOM 0 H LEU A 98 -8.742 3.946 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.209 6.764 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.818 5.631 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.921 4.813 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.746 6.824 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.139 8.960 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.577 8.424 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.511 8.231 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.573 7.307 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.883 6.513 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.868 5.565 -6.759 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.724 7.497 -10.707 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.303 8.113 -11.960 1.00 0.00 C ATOM 1478 C ARG A 99 -7.623 9.454 -11.706 1.00 0.00 C ATOM 1479 O ARG A 99 -8.050 10.226 -10.847 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.505 8.306 -12.887 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.129 7.001 -13.355 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.287 7.248 -14.310 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.027 6.023 -14.601 1.00 0.00 N ATOM 1484 CZ ARG A 99 -11.602 5.091 -15.445 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -10.446 5.242 -16.078 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -12.332 4.003 -15.658 1.00 0.00 N ATOM 0 H ARG A 99 -9.626 7.822 -10.359 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.586 7.447 -12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.262 8.895 -12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.193 8.882 -13.758 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.372 6.391 -13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.481 6.435 -12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.963 7.986 -13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.906 7.671 -15.240 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.920 5.876 -14.130 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.881 6.076 -15.917 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.122 4.524 -16.726 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.221 3.882 -15.173 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.004 3.288 -16.307 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.561 9.726 -12.458 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.822 10.975 -12.315 1.00 0.00 C ATOM 1502 C VAL A 100 -5.233 11.421 -13.649 1.00 0.00 C ATOM 1503 O VAL A 100 -4.256 10.847 -14.132 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.686 10.839 -11.284 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.882 12.128 -11.202 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.246 10.462 -9.921 1.00 0.00 C ATOM 0 H VAL A 100 -6.193 9.098 -13.173 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.532 11.725 -11.966 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.017 10.042 -11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.084 12.013 -10.469 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.449 12.350 -12.178 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.536 12.946 -10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.429 10.370 -9.205 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.938 11.235 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.773 9.511 -9.995 1.00 0.00 H new ATOM 1516 N THR A 101 -5.833 12.449 -14.240 1.00 0.00 N ATOM 1517 CA THR A 101 -5.369 12.972 -15.519 1.00 0.00 C ATOM 1518 C THR A 101 -4.362 14.099 -15.319 1.00 0.00 C ATOM 1519 O THR A 101 -4.144 14.556 -14.197 1.00 0.00 O ATOM 1520 CB THR A 101 -6.541 13.492 -16.372 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.033 14.724 -15.830 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.667 12.471 -16.424 1.00 0.00 C ATOM 0 H THR A 101 -6.641 12.936 -13.853 1.00 0.00 H new ATOM 0 HA THR A 101 -4.887 12.146 -16.042 1.00 0.00 H new ATOM 0 HB THR A 101 -6.177 13.661 -17.385 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.777 15.049 -16.379 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.484 12.861 -17.032 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.298 11.544 -16.863 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.028 12.276 -15.414 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.751 14.542 -16.413 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.767 15.616 -16.356 1.00 0.00 C ATOM 1532 C GLU A 102 -3.328 16.831 -15.622 1.00 0.00 C ATOM 1533 O GLU A 102 -4.531 16.918 -15.371 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.332 16.016 -17.768 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.137 15.232 -18.281 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.135 15.093 -19.791 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -2.233 15.018 -20.381 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.036 15.059 -20.383 1.00 0.00 O ATOM 0 H GLU A 102 -3.920 14.174 -17.349 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.900 15.249 -15.806 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.169 15.874 -18.451 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.090 17.079 -17.777 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.219 15.727 -17.964 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.136 14.240 -17.829 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.449 17.767 -15.280 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.855 18.977 -14.575 1.00 0.00 C ATOM 1547 C LYS A 103 -2.261 20.216 -15.237 1.00 0.00 C ATOM 1548 O LYS A 103 -1.248 20.152 -15.933 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.419 18.909 -13.110 1.00 0.00 C ATOM 1550 CG LYS A 103 -1.015 19.436 -12.869 1.00 0.00 C ATOM 1551 CD LYS A 103 0.040 18.450 -13.344 1.00 0.00 C ATOM 1552 CE LYS A 103 1.103 19.135 -14.188 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.366 18.347 -14.236 1.00 0.00 N ATOM 0 H LYS A 103 -1.450 17.711 -15.480 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.942 19.048 -14.621 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.122 19.480 -12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.473 17.874 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.887 20.385 -13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.877 19.634 -11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.509 17.974 -12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.435 17.660 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.726 19.279 -15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.308 20.125 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.065 18.847 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.740 18.231 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.176 17.411 -14.648 1.00 0.00 H new