USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 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 88 THR OG1 : rot 180:sc= -0.42 USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.0325 USER MOD Set 2.1: A 82 THR OG1 : rot 92:sc= 0.756 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 1.07 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -2.07 F(o=-4.3!,f=-2.1) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 35 LYS NZ :NH3+ -147:sc= 0.261 (180deg=-0.39) USER MOD Set 4.2: A 37 SER OG : rot 180:sc= -0.0873 USER MOD Single : A 23 HIS : no HD1:sc= -0.672 X(o=-0.67,f=-0.46) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.104 USER MOD Single : A 32 THR OG1 : rot -87:sc= 1.02 USER MOD Single : A 33 SER OG : rot 180:sc= -0.109 USER MOD Single : A 39 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.88) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.53 F(o=-2.1!,f=-1.5) USER MOD Single : A 49 THR OG1 : rot -1:sc= -0.123 USER MOD Single : A 51 TYR OH : rot 152:sc= -2.65 USER MOD Single : A 54 SER OG : rot 180:sc= -0.198 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -19:sc= 0.211 USER MOD Single : A 62 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.19) USER MOD Single : A 63 THR OG1 : rot 42:sc= 0.675 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.02! C(o=-2!,f=-7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 79:sc= 0.677 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -156:sc= -0.0973 (180deg=-1.45) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.8 F(o=-2.8!,f=-0.8) USER MOD Single : A 101 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.082) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -152:sc= -1.15! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.095 -0.175 -13.268 1.00 0.00 N ATOM 203 CA ASP A 16 16.857 0.628 -12.327 1.00 0.00 C ATOM 204 C ASP A 16 16.154 0.618 -10.968 1.00 0.00 C ATOM 205 O ASP A 16 16.714 0.149 -9.978 1.00 0.00 O ATOM 206 CB ASP A 16 16.958 2.080 -12.797 1.00 0.00 C ATOM 207 CG ASP A 16 18.154 2.857 -12.245 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.305 2.862 -11.004 1.00 0.00 O ATOM 209 OD2 ASP A 16 18.892 3.429 -13.076 1.00 0.00 O ATOM 0 HA ASP A 16 17.858 0.203 -12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.008 2.091 -13.886 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.044 2.602 -12.515 1.00 0.00 H new ATOM 214 N VAL A 17 14.936 1.142 -10.964 1.00 0.00 N ATOM 215 CA VAL A 17 14.151 1.200 -9.743 1.00 0.00 C ATOM 216 C VAL A 17 14.279 -0.129 -8.995 1.00 0.00 C ATOM 217 O VAL A 17 14.744 -1.119 -9.558 1.00 0.00 O ATOM 218 CB VAL A 17 12.701 1.564 -10.070 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.533 3.078 -10.204 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.228 0.846 -11.336 1.00 0.00 C ATOM 0 H VAL A 17 14.474 1.530 -11.787 1.00 0.00 H new ATOM 0 HA VAL A 17 14.528 1.982 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 17 12.077 1.230 -9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.494 3.310 -10.437 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.811 3.559 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.175 3.446 -11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.195 1.122 -11.546 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.859 1.136 -12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.293 -0.232 -11.189 1.00 0.00 H new ATOM 230 N PRO A 18 13.848 -0.108 -7.706 1.00 0.00 N ATOM 231 CA PRO A 18 13.910 -1.298 -6.876 1.00 0.00 C ATOM 232 C PRO A 18 12.814 -2.294 -7.262 1.00 0.00 C ATOM 233 O PRO A 18 12.014 -2.026 -8.157 1.00 0.00 O ATOM 234 CB PRO A 18 13.775 -0.791 -5.449 1.00 0.00 C ATOM 235 CG PRO A 18 13.179 0.603 -5.557 1.00 0.00 C ATOM 236 CD PRO A 18 13.291 1.047 -7.007 1.00 0.00 C ATOM 0 HA PRO A 18 14.841 -1.850 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.132 -1.446 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.744 -0.764 -4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.137 0.598 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.709 1.296 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.318 1.324 -7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.937 1.919 -7.105 1.00 0.00 H new ATOM 244 N GLY A 19 12.814 -3.423 -6.568 1.00 0.00 N ATOM 245 CA GLY A 19 11.830 -4.460 -6.827 1.00 0.00 C ATOM 246 C GLY A 19 10.675 -4.382 -5.827 1.00 0.00 C ATOM 247 O GLY A 19 10.358 -3.307 -5.321 1.00 0.00 O ATOM 0 H GLY A 19 13.480 -3.642 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.445 -4.356 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.304 -5.440 -6.765 1.00 0.00 H new ATOM 251 N PRO A 20 10.061 -5.567 -5.564 1.00 0.00 N ATOM 252 CA PRO A 20 8.949 -5.644 -4.633 1.00 0.00 C ATOM 253 C PRO A 20 9.436 -5.536 -3.187 1.00 0.00 C ATOM 254 O PRO A 20 10.350 -6.251 -2.781 1.00 0.00 O ATOM 255 CB PRO A 20 8.273 -6.972 -4.935 1.00 0.00 C ATOM 256 CG PRO A 20 9.298 -7.796 -5.698 1.00 0.00 C ATOM 257 CD PRO A 20 10.409 -6.861 -6.145 1.00 0.00 C ATOM 0 HA PRO A 20 8.246 -4.819 -4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.973 -7.475 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.370 -6.825 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.698 -8.589 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.835 -8.278 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.381 -7.205 -5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.466 -6.805 -7.232 1.00 0.00 H new ATOM 265 N VAL A 21 8.802 -4.636 -2.448 1.00 0.00 N ATOM 266 CA VAL A 21 9.160 -4.426 -1.056 1.00 0.00 C ATOM 267 C VAL A 21 9.076 -5.756 -0.305 1.00 0.00 C ATOM 268 O VAL A 21 8.938 -6.813 -0.921 1.00 0.00 O ATOM 269 CB VAL A 21 8.272 -3.339 -0.446 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.715 -1.948 -0.904 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.799 -3.583 -0.781 1.00 0.00 C ATOM 0 H VAL A 21 8.043 -4.045 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 21 10.188 -4.072 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 21 8.382 -3.386 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.068 -1.194 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.745 -1.773 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.649 -1.884 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.190 -2.797 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.666 -3.577 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.491 -4.550 -0.383 1.00 0.00 H new ATOM 281 N GLY A 22 9.164 -5.662 1.013 1.00 0.00 N ATOM 282 CA GLY A 22 9.100 -6.846 1.854 1.00 0.00 C ATOM 283 C GLY A 22 7.787 -7.601 1.639 1.00 0.00 C ATOM 284 O GLY A 22 7.349 -7.782 0.504 1.00 0.00 O ATOM 0 H GLY A 22 9.279 -4.784 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.941 -7.502 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.191 -6.558 2.901 1.00 0.00 H new ATOM 288 N HIS A 23 7.195 -8.021 2.747 1.00 0.00 N ATOM 289 CA HIS A 23 5.940 -8.752 2.694 1.00 0.00 C ATOM 290 C HIS A 23 4.811 -7.875 3.237 1.00 0.00 C ATOM 291 O HIS A 23 4.858 -7.435 4.385 1.00 0.00 O ATOM 292 CB HIS A 23 6.059 -10.088 3.431 1.00 0.00 C ATOM 293 CG HIS A 23 5.686 -10.019 4.893 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.561 -10.638 5.410 1.00 0.00 N ATOM 295 CD2 HIS A 23 6.301 -9.399 5.940 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.511 -10.394 6.711 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.590 -9.625 7.038 1.00 0.00 N ATOM 0 H HIS A 23 7.561 -7.869 3.687 1.00 0.00 H new ATOM 0 HA HIS A 23 5.699 -8.993 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.421 -10.821 2.938 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.084 -10.449 3.345 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.212 -8.822 5.885 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.750 -10.743 7.393 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.813 -9.281 7.972 1.00 0.00 H new ATOM 305 N LEU A 24 3.822 -7.645 2.386 1.00 0.00 N ATOM 306 CA LEU A 24 2.682 -6.828 2.765 1.00 0.00 C ATOM 307 C LEU A 24 2.089 -7.362 4.071 1.00 0.00 C ATOM 308 O LEU A 24 1.980 -8.573 4.258 1.00 0.00 O ATOM 309 CB LEU A 24 1.673 -6.749 1.618 1.00 0.00 C ATOM 310 CG LEU A 24 1.656 -5.439 0.828 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.914 -4.344 1.598 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.074 -5.010 0.447 1.00 0.00 C ATOM 0 H LEU A 24 3.787 -8.011 1.434 1.00 0.00 H new ATOM 0 HA LEU A 24 2.995 -5.801 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.876 -7.565 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.676 -6.917 2.025 1.00 0.00 H new ATOM 0 HG LEU A 24 1.110 -5.607 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.917 -3.423 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.115 -4.658 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.411 -4.170 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.033 -4.076 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.666 -4.865 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.535 -5.783 -0.168 1.00 0.00 H new ATOM 324 N SER A 25 1.720 -6.433 4.940 1.00 0.00 N ATOM 325 CA SER A 25 1.140 -6.795 6.222 1.00 0.00 C ATOM 326 C SER A 25 0.043 -5.798 6.601 1.00 0.00 C ATOM 327 O SER A 25 0.157 -4.607 6.317 1.00 0.00 O ATOM 328 CB SER A 25 2.210 -6.847 7.315 1.00 0.00 C ATOM 329 OG SER A 25 1.705 -7.393 8.530 1.00 0.00 O ATOM 0 H SER A 25 1.811 -5.430 4.782 1.00 0.00 H new ATOM 0 HA SER A 25 0.703 -7.789 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.052 -7.447 6.970 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.589 -5.842 7.499 1.00 0.00 H new ATOM 0 HG SER A 25 2.418 -7.411 9.202 1.00 0.00 H new ATOM 335 N PHE A 26 -0.995 -6.323 7.235 1.00 0.00 N ATOM 336 CA PHE A 26 -2.112 -5.494 7.656 1.00 0.00 C ATOM 337 C PHE A 26 -2.487 -5.776 9.112 1.00 0.00 C ATOM 338 O PHE A 26 -2.396 -6.914 9.571 1.00 0.00 O ATOM 339 CB PHE A 26 -3.298 -5.853 6.758 1.00 0.00 C ATOM 340 CG PHE A 26 -3.057 -5.583 5.271 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.375 -4.473 4.883 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.524 -6.455 4.338 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.151 -4.223 3.503 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.300 -6.205 2.958 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.618 -5.094 2.570 1.00 0.00 C ATOM 0 H PHE A 26 -1.086 -7.312 7.467 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.844 -4.440 7.576 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.535 -6.909 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.171 -5.287 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.003 -3.781 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.065 -7.337 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.610 -3.341 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.671 -6.897 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.448 -4.904 1.521 1.00 0.00 H new ATOM 355 N SER A 27 -2.899 -4.721 9.799 1.00 0.00 N ATOM 356 CA SER A 27 -3.288 -4.841 11.193 1.00 0.00 C ATOM 357 C SER A 27 -4.227 -3.695 11.575 1.00 0.00 C ATOM 358 O SER A 27 -4.457 -2.785 10.781 1.00 0.00 O ATOM 359 CB SER A 27 -2.061 -4.849 12.108 1.00 0.00 C ATOM 360 OG SER A 27 -1.053 -3.949 11.658 1.00 0.00 O ATOM 0 H SER A 27 -2.972 -3.779 9.416 1.00 0.00 H new ATOM 0 HA SER A 27 -3.811 -5.789 11.322 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.362 -4.579 13.120 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.651 -5.858 12.156 1.00 0.00 H new ATOM 0 HG SER A 27 -0.288 -3.982 12.269 1.00 0.00 H new ATOM 366 N GLU A 28 -4.744 -3.777 12.792 1.00 0.00 N ATOM 367 CA GLU A 28 -5.653 -2.758 13.289 1.00 0.00 C ATOM 368 C GLU A 28 -6.608 -2.312 12.180 1.00 0.00 C ATOM 369 O GLU A 28 -6.768 -1.117 11.937 1.00 0.00 O ATOM 370 CB GLU A 28 -4.882 -1.567 13.861 1.00 0.00 C ATOM 371 CG GLU A 28 -4.331 -1.886 15.252 1.00 0.00 C ATOM 372 CD GLU A 28 -5.462 -2.234 16.222 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.185 -1.292 16.613 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.578 -3.435 16.551 1.00 0.00 O ATOM 0 H GLU A 28 -4.551 -4.533 13.449 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.243 -3.189 14.098 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.062 -1.306 13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.537 -0.698 13.916 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.632 -2.720 15.188 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.772 -1.030 15.631 1.00 0.00 H new ATOM 381 N ILE A 29 -7.218 -3.296 11.537 1.00 0.00 N ATOM 382 CA ILE A 29 -8.153 -3.020 10.459 1.00 0.00 C ATOM 383 C ILE A 29 -9.515 -2.656 11.053 1.00 0.00 C ATOM 384 O ILE A 29 -9.965 -3.279 12.013 1.00 0.00 O ATOM 385 CB ILE A 29 -8.203 -4.194 9.480 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.794 -4.647 9.093 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.051 -3.850 8.254 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.826 -5.537 7.849 1.00 0.00 C ATOM 0 H ILE A 29 -7.083 -4.286 11.742 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.820 -2.162 9.875 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.685 -5.034 9.980 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.167 -3.776 8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.343 -5.191 9.922 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.070 -4.702 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.068 -3.615 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.621 -2.988 7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.812 -5.845 7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.434 -6.419 8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.255 -4.982 7.015 1.00 0.00 H new ATOM 400 N LEU A 30 -10.134 -1.647 10.457 1.00 0.00 N ATOM 401 CA LEU A 30 -11.435 -1.192 10.914 1.00 0.00 C ATOM 402 C LEU A 30 -12.499 -1.586 9.887 1.00 0.00 C ATOM 403 O LEU A 30 -12.640 -2.762 9.555 1.00 0.00 O ATOM 404 CB LEU A 30 -11.402 0.307 11.220 1.00 0.00 C ATOM 405 CG LEU A 30 -10.555 0.727 12.423 1.00 0.00 C ATOM 406 CD1 LEU A 30 -10.981 -0.027 13.684 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.063 0.557 12.129 1.00 0.00 C ATOM 0 H LEU A 30 -9.758 -1.132 9.661 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.700 -1.680 11.852 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.030 0.830 10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.425 0.647 11.384 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.728 1.787 12.609 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.363 0.290 14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.027 0.189 13.901 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.857 -1.098 13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.483 0.862 13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.854 -0.488 11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.788 1.176 11.275 1.00 0.00 H new ATOM 419 N ASP A 31 -13.220 -0.581 9.413 1.00 0.00 N ATOM 420 CA ASP A 31 -14.266 -0.808 8.431 1.00 0.00 C ATOM 421 C ASP A 31 -13.876 -0.137 7.112 1.00 0.00 C ATOM 422 O ASP A 31 -14.199 -0.640 6.037 1.00 0.00 O ATOM 423 CB ASP A 31 -15.595 -0.206 8.892 1.00 0.00 C ATOM 424 CG ASP A 31 -15.501 1.214 9.454 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.194 1.328 10.660 1.00 0.00 O ATOM 426 OD2 ASP A 31 -15.739 2.153 8.664 1.00 0.00 O ATOM 0 H ASP A 31 -13.100 0.393 9.691 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.382 -1.885 8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.287 -0.202 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.025 -0.855 9.655 1.00 0.00 H new ATOM 431 N THR A 32 -13.188 0.988 7.239 1.00 0.00 N ATOM 432 CA THR A 32 -12.750 1.732 6.070 1.00 0.00 C ATOM 433 C THR A 32 -11.325 2.252 6.272 1.00 0.00 C ATOM 434 O THR A 32 -10.913 3.212 5.622 1.00 0.00 O ATOM 435 CB THR A 32 -13.770 2.842 5.807 1.00 0.00 C ATOM 436 OG1 THR A 32 -13.878 3.518 7.057 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.177 2.296 5.556 1.00 0.00 C ATOM 0 H THR A 32 -12.923 1.402 8.133 1.00 0.00 H new ATOM 0 HA THR A 32 -12.708 1.094 5.188 1.00 0.00 H new ATOM 0 HB THR A 32 -13.451 3.432 4.948 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.549 3.071 7.614 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.862 3.124 5.375 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.163 1.640 4.686 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.510 1.734 6.428 1.00 0.00 H new ATOM 445 N SER A 33 -10.612 1.595 7.175 1.00 0.00 N ATOM 446 CA SER A 33 -9.242 1.979 7.470 1.00 0.00 C ATOM 447 C SER A 33 -8.474 0.783 8.036 1.00 0.00 C ATOM 448 O SER A 33 -9.027 -0.012 8.794 1.00 0.00 O ATOM 449 CB SER A 33 -9.198 3.151 8.452 1.00 0.00 C ATOM 450 OG SER A 33 -10.084 2.959 9.552 1.00 0.00 O ATOM 0 H SER A 33 -10.957 0.799 7.712 1.00 0.00 H new ATOM 0 HA SER A 33 -8.769 2.300 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.181 3.275 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.461 4.071 7.930 1.00 0.00 H new ATOM 0 HG SER A 33 -10.026 3.728 10.157 1.00 0.00 H new ATOM 456 N LEU A 34 -7.211 0.693 7.646 1.00 0.00 N ATOM 457 CA LEU A 34 -6.361 -0.392 8.105 1.00 0.00 C ATOM 458 C LEU A 34 -4.905 0.075 8.115 1.00 0.00 C ATOM 459 O LEU A 34 -4.547 1.018 7.411 1.00 0.00 O ATOM 460 CB LEU A 34 -6.598 -1.650 7.266 1.00 0.00 C ATOM 461 CG LEU A 34 -6.596 -1.454 5.749 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.173 -1.513 5.190 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.523 -2.460 5.065 1.00 0.00 C ATOM 0 H LEU A 34 -6.756 1.354 7.017 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.614 -0.667 9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.830 -2.381 7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.557 -2.081 7.556 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.985 -0.459 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.200 -1.371 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.571 -0.726 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.733 -2.484 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.503 -2.299 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.187 -3.473 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.540 -2.326 5.433 1.00 0.00 H new ATOM 475 N LYS A 35 -4.103 -0.606 8.921 1.00 0.00 N ATOM 476 CA LYS A 35 -2.693 -0.273 9.031 1.00 0.00 C ATOM 477 C LYS A 35 -1.890 -1.143 8.063 1.00 0.00 C ATOM 478 O LYS A 35 -1.998 -2.368 8.088 1.00 0.00 O ATOM 479 CB LYS A 35 -2.230 -0.382 10.485 1.00 0.00 C ATOM 480 CG LYS A 35 -0.778 0.078 10.633 1.00 0.00 C ATOM 481 CD LYS A 35 0.152 -1.113 10.874 1.00 0.00 C ATOM 482 CE LYS A 35 1.559 -0.826 10.347 1.00 0.00 C ATOM 483 NZ LYS A 35 2.577 -1.467 11.209 1.00 0.00 N ATOM 0 H LYS A 35 -4.403 -1.387 9.504 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.523 0.764 8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.874 0.224 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.325 -1.413 10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.468 0.610 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.698 0.780 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.197 -1.333 11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.251 -1.999 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.654 -1.196 9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.728 0.250 10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.434 -0.879 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.202 -1.567 12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.811 -2.407 10.830 1.00 0.00 H new ATOM 497 N VAL A 36 -1.102 -0.476 7.232 1.00 0.00 N ATOM 498 CA VAL A 36 -0.281 -1.174 6.257 1.00 0.00 C ATOM 499 C VAL A 36 1.177 -1.157 6.720 1.00 0.00 C ATOM 500 O VAL A 36 1.649 -0.158 7.260 1.00 0.00 O ATOM 501 CB VAL A 36 -0.476 -0.556 4.871 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.443 -1.217 3.842 1.00 0.00 C ATOM 503 CG2 VAL A 36 -1.940 -0.641 4.433 1.00 0.00 C ATOM 0 H VAL A 36 -1.015 0.540 7.214 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.585 -2.218 6.178 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.206 0.498 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.284 -0.759 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.482 -1.081 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.218 -2.282 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.051 -0.195 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.249 -1.686 4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.565 -0.103 5.146 1.00 0.00 H new ATOM 513 N SER A 37 1.850 -2.275 6.491 1.00 0.00 N ATOM 514 CA SER A 37 3.245 -2.402 6.877 1.00 0.00 C ATOM 515 C SER A 37 3.994 -3.263 5.858 1.00 0.00 C ATOM 516 O SER A 37 3.454 -4.248 5.357 1.00 0.00 O ATOM 517 CB SER A 37 3.376 -3.002 8.278 1.00 0.00 C ATOM 518 OG SER A 37 2.197 -3.698 8.673 1.00 0.00 O ATOM 0 H SER A 37 1.455 -3.102 6.043 1.00 0.00 H new ATOM 0 HA SER A 37 3.687 -1.406 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.225 -3.685 8.302 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.585 -2.208 8.994 1.00 0.00 H new ATOM 0 HG SER A 37 2.321 -4.068 9.572 1.00 0.00 H new ATOM 524 N TRP A 38 5.226 -2.860 5.583 1.00 0.00 N ATOM 525 CA TRP A 38 6.055 -3.583 4.633 1.00 0.00 C ATOM 526 C TRP A 38 7.504 -3.508 5.117 1.00 0.00 C ATOM 527 O TRP A 38 7.775 -2.983 6.196 1.00 0.00 O ATOM 528 CB TRP A 38 5.868 -3.037 3.216 1.00 0.00 C ATOM 529 CG TRP A 38 6.128 -1.534 3.090 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.291 -0.916 2.842 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.151 -0.479 3.215 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.135 0.455 2.799 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.793 0.729 3.033 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.770 -0.544 3.474 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.134 1.963 3.090 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.127 0.698 3.528 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.759 1.923 3.346 1.00 0.00 C ATOM 0 H TRP A 38 5.670 -2.042 6.001 1.00 0.00 H new ATOM 0 HA TRP A 38 5.759 -4.631 4.582 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.538 -3.569 2.541 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.850 -3.248 2.887 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.231 -1.426 2.694 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.870 1.141 2.627 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.247 -1.478 3.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.659 2.896 2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.065 0.705 3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.191 2.840 3.402 1.00 0.00 H new ATOM 548 N GLN A 39 8.397 -4.039 4.296 1.00 0.00 N ATOM 549 CA GLN A 39 9.812 -4.039 4.627 1.00 0.00 C ATOM 550 C GLN A 39 10.637 -3.559 3.431 1.00 0.00 C ATOM 551 O GLN A 39 10.086 -3.258 2.373 1.00 0.00 O ATOM 552 CB GLN A 39 10.268 -5.425 5.086 1.00 0.00 C ATOM 553 CG GLN A 39 10.516 -5.449 6.596 1.00 0.00 C ATOM 554 CD GLN A 39 11.833 -6.154 6.924 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.820 -6.044 6.215 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.794 -6.882 8.037 1.00 0.00 N ATOM 0 H GLN A 39 8.168 -4.473 3.402 1.00 0.00 H new ATOM 0 HA GLN A 39 9.971 -3.348 5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.511 -6.165 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.181 -5.704 4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.540 -4.429 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.692 -5.959 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.935 -6.931 8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.623 -7.391 8.343 1.00 0.00 H new ATOM 565 N GLU A 40 11.944 -3.501 3.639 1.00 0.00 N ATOM 566 CA GLU A 40 12.850 -3.063 2.591 1.00 0.00 C ATOM 567 C GLU A 40 13.120 -4.206 1.610 1.00 0.00 C ATOM 568 O GLU A 40 13.351 -5.341 2.023 1.00 0.00 O ATOM 569 CB GLU A 40 14.156 -2.529 3.183 1.00 0.00 C ATOM 570 CG GLU A 40 14.248 -1.010 3.026 1.00 0.00 C ATOM 571 CD GLU A 40 15.343 -0.431 3.925 1.00 0.00 C ATOM 572 OE1 GLU A 40 16.165 -1.238 4.409 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.332 0.806 4.107 1.00 0.00 O ATOM 0 H GLU A 40 12.397 -3.750 4.518 1.00 0.00 H new ATOM 0 HA GLU A 40 12.376 -2.247 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.216 -2.793 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.004 -3.002 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.457 -0.760 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.289 -0.556 3.276 1.00 0.00 H new ATOM 580 N PRO A 41 13.081 -3.857 0.296 1.00 0.00 N ATOM 581 CA PRO A 41 13.319 -4.840 -0.746 1.00 0.00 C ATOM 582 C PRO A 41 14.806 -5.185 -0.846 1.00 0.00 C ATOM 583 O PRO A 41 15.661 -4.355 -0.541 1.00 0.00 O ATOM 584 CB PRO A 41 12.769 -4.209 -2.015 1.00 0.00 C ATOM 585 CG PRO A 41 12.667 -2.720 -1.729 1.00 0.00 C ATOM 586 CD PRO A 41 12.811 -2.522 -0.229 1.00 0.00 C ATOM 0 HA PRO A 41 12.828 -5.792 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.427 -4.400 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.794 -4.626 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.446 -2.175 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.710 -2.330 -2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.623 -1.833 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.903 -2.102 0.204 1.00 0.00 H new ATOM 594 N GLY A 42 15.069 -6.411 -1.275 1.00 0.00 N ATOM 595 CA GLY A 42 16.439 -6.875 -1.419 1.00 0.00 C ATOM 596 C GLY A 42 17.046 -6.391 -2.737 1.00 0.00 C ATOM 597 O GLY A 42 18.231 -6.601 -2.993 1.00 0.00 O ATOM 0 H GLY A 42 14.357 -7.097 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.039 -6.513 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.464 -7.964 -1.381 1.00 0.00 H new ATOM 601 N GLU A 43 16.207 -5.753 -3.539 1.00 0.00 N ATOM 602 CA GLU A 43 16.646 -5.238 -4.825 1.00 0.00 C ATOM 603 C GLU A 43 16.540 -3.712 -4.849 1.00 0.00 C ATOM 604 O GLU A 43 16.061 -3.134 -5.824 1.00 0.00 O ATOM 605 CB GLU A 43 15.844 -5.861 -5.969 1.00 0.00 C ATOM 606 CG GLU A 43 14.516 -6.428 -5.462 1.00 0.00 C ATOM 607 CD GLU A 43 13.825 -7.259 -6.545 1.00 0.00 C ATOM 608 OE1 GLU A 43 13.802 -6.781 -7.699 1.00 0.00 O ATOM 609 OE2 GLU A 43 13.336 -8.355 -6.194 1.00 0.00 O ATOM 0 H GLU A 43 15.225 -5.581 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 43 17.691 -5.513 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.654 -5.110 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.427 -6.654 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.693 -7.046 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.863 -5.612 -5.152 1.00 0.00 H new ATOM 616 N LYS A 44 16.995 -3.101 -3.765 1.00 0.00 N ATOM 617 CA LYS A 44 16.958 -1.653 -3.650 1.00 0.00 C ATOM 618 C LYS A 44 17.410 -1.029 -4.971 1.00 0.00 C ATOM 619 O LYS A 44 16.889 0.006 -5.384 1.00 0.00 O ATOM 620 CB LYS A 44 17.773 -1.191 -2.440 1.00 0.00 C ATOM 621 CG LYS A 44 17.109 -1.628 -1.132 1.00 0.00 C ATOM 622 CD LYS A 44 17.699 -0.872 0.060 1.00 0.00 C ATOM 623 CE LYS A 44 17.272 -1.515 1.382 1.00 0.00 C ATOM 624 NZ LYS A 44 18.455 -2.001 2.127 1.00 0.00 N ATOM 0 H LYS A 44 17.391 -3.583 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 44 15.939 -1.311 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.780 -1.604 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.872 -0.106 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.035 -1.448 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.245 -2.700 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.787 -0.866 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.372 0.167 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.727 -0.790 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.592 -2.344 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.148 -2.434 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.959 -2.708 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.090 -1.203 2.329 1.00 0.00 H new ATOM 638 N ASN A 45 18.376 -1.684 -5.599 1.00 0.00 N ATOM 639 CA ASN A 45 18.904 -1.206 -6.865 1.00 0.00 C ATOM 640 C ASN A 45 19.004 0.320 -6.828 1.00 0.00 C ATOM 641 O ASN A 45 18.667 0.991 -7.802 1.00 0.00 O ATOM 642 CB ASN A 45 17.986 -1.592 -8.026 1.00 0.00 C ATOM 643 CG ASN A 45 18.098 -3.085 -8.341 1.00 0.00 C ATOM 644 OD1 ASN A 45 17.006 -3.784 -8.043 1.00 0.00 O flip ATOM 645 ND2 ASN A 45 19.108 -3.571 -8.823 1.00 0.00 N flip ATOM 0 H ASN A 45 18.807 -2.542 -5.254 1.00 0.00 H new ATOM 0 HA ASN A 45 19.884 -1.660 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 45 16.954 -1.346 -7.776 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.247 -1.010 -8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 45 19.912 -2.978 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.149 -4.571 -9.021 1.00 0.00 H new ATOM 652 N GLY A 46 19.467 0.823 -5.693 1.00 0.00 N ATOM 653 CA GLY A 46 19.615 2.258 -5.516 1.00 0.00 C ATOM 654 C GLY A 46 19.193 2.683 -4.109 1.00 0.00 C ATOM 655 O GLY A 46 18.707 1.865 -3.329 1.00 0.00 O ATOM 0 H GLY A 46 19.745 0.263 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.652 2.544 -5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.010 2.783 -6.255 1.00 0.00 H new ATOM 659 N ILE A 47 19.394 3.962 -3.826 1.00 0.00 N ATOM 660 CA ILE A 47 19.040 4.506 -2.526 1.00 0.00 C ATOM 661 C ILE A 47 17.547 4.839 -2.507 1.00 0.00 C ATOM 662 O ILE A 47 17.088 5.696 -3.261 1.00 0.00 O ATOM 663 CB ILE A 47 19.940 5.694 -2.179 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.381 5.238 -1.941 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.381 6.475 -0.988 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.433 4.092 -0.929 1.00 0.00 C ATOM 0 H ILE A 47 19.798 4.637 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 47 19.212 3.767 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 47 19.954 6.373 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.825 4.916 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.976 6.076 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.039 7.314 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.387 6.849 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.318 5.819 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.468 3.787 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 47 21.011 4.425 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.857 3.247 -1.306 1.00 0.00 H new ATOM 678 N LEU A 48 16.829 4.145 -1.636 1.00 0.00 N ATOM 679 CA LEU A 48 15.397 4.356 -1.509 1.00 0.00 C ATOM 680 C LEU A 48 15.138 5.789 -1.039 1.00 0.00 C ATOM 681 O LEU A 48 15.656 6.211 -0.006 1.00 0.00 O ATOM 682 CB LEU A 48 14.776 3.290 -0.604 1.00 0.00 C ATOM 683 CG LEU A 48 15.112 1.838 -0.950 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.522 0.878 0.085 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.664 1.496 -2.371 1.00 0.00 C ATOM 0 H LEU A 48 17.212 3.436 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 48 14.908 4.243 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.094 3.481 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.693 3.407 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 48 16.195 1.720 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.775 -0.147 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.932 1.107 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.438 0.990 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.915 0.458 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.586 1.635 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.171 2.150 -3.080 1.00 0.00 H new ATOM 697 N THR A 49 14.336 6.498 -1.820 1.00 0.00 N ATOM 698 CA THR A 49 14.001 7.875 -1.497 1.00 0.00 C ATOM 699 C THR A 49 12.654 7.941 -0.775 1.00 0.00 C ATOM 700 O THR A 49 12.312 8.963 -0.183 1.00 0.00 O ATOM 701 CB THR A 49 14.037 8.687 -2.793 1.00 0.00 C ATOM 702 OG1 THR A 49 13.107 8.023 -3.644 1.00 0.00 O ATOM 703 CG2 THR A 49 15.372 8.558 -3.528 1.00 0.00 C ATOM 0 H THR A 49 13.908 6.145 -2.676 1.00 0.00 H new ATOM 0 HA THR A 49 14.725 8.307 -0.806 1.00 0.00 H new ATOM 0 HB THR A 49 13.846 9.737 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.732 7.247 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.344 9.154 -4.440 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.177 8.916 -2.886 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.548 7.513 -3.782 1.00 0.00 H new ATOM 711 N GLY A 50 11.925 6.837 -0.848 1.00 0.00 N ATOM 712 CA GLY A 50 10.622 6.756 -0.209 1.00 0.00 C ATOM 713 C GLY A 50 9.845 5.533 -0.700 1.00 0.00 C ATOM 714 O GLY A 50 10.418 4.635 -1.316 1.00 0.00 O ATOM 0 H GLY A 50 12.212 5.991 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.746 6.702 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.053 7.661 -0.420 1.00 0.00 H new ATOM 718 N TYR A 51 8.553 5.537 -0.410 1.00 0.00 N ATOM 719 CA TYR A 51 7.691 4.440 -0.814 1.00 0.00 C ATOM 720 C TYR A 51 6.320 4.954 -1.258 1.00 0.00 C ATOM 721 O TYR A 51 5.806 5.923 -0.702 1.00 0.00 O ATOM 722 CB TYR A 51 7.516 3.562 0.426 1.00 0.00 C ATOM 723 CG TYR A 51 8.757 2.744 0.790 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.036 1.575 0.111 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.597 3.174 1.796 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.203 0.805 0.453 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.765 2.405 2.138 1.00 0.00 C ATOM 728 CZ TYR A 51 11.010 1.258 1.450 1.00 0.00 C ATOM 729 OH TYR A 51 12.113 0.530 1.773 1.00 0.00 O ATOM 0 H TYR A 51 8.082 6.284 0.101 1.00 0.00 H new ATOM 0 HA TYR A 51 8.129 3.897 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.250 4.195 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.680 2.882 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.379 1.238 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.378 4.088 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.433 -0.112 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.431 2.732 2.923 1.00 0.00 H new ATOM 0 HH TYR A 51 12.803 1.125 2.135 1.00 0.00 H new ATOM 739 N ARG A 52 5.766 4.281 -2.257 1.00 0.00 N ATOM 740 CA ARG A 52 4.465 4.658 -2.782 1.00 0.00 C ATOM 741 C ARG A 52 3.416 3.611 -2.401 1.00 0.00 C ATOM 742 O ARG A 52 3.578 2.428 -2.697 1.00 0.00 O ATOM 743 CB ARG A 52 4.505 4.799 -4.305 1.00 0.00 C ATOM 744 CG ARG A 52 3.122 5.144 -4.860 1.00 0.00 C ATOM 745 CD ARG A 52 3.237 5.923 -6.172 1.00 0.00 C ATOM 746 NE ARG A 52 3.258 4.985 -7.317 1.00 0.00 N ATOM 747 CZ ARG A 52 3.529 5.346 -8.579 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.804 6.626 -8.866 1.00 0.00 N ATOM 749 NH2 ARG A 52 3.526 4.427 -9.554 1.00 0.00 N ATOM 0 H ARG A 52 6.195 3.477 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 52 4.198 5.621 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.217 5.576 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.858 3.869 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.554 4.229 -5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.570 5.735 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.398 6.612 -6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.145 6.526 -6.168 1.00 0.00 H new ATOM 0 HE ARG A 52 3.053 4.003 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.807 7.326 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.010 6.900 -9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.317 3.453 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.732 4.702 -10.514 1.00 0.00 H new ATOM 763 N ILE A 53 2.364 4.085 -1.749 1.00 0.00 N ATOM 764 CA ILE A 53 1.288 3.205 -1.325 1.00 0.00 C ATOM 765 C ILE A 53 0.010 3.565 -2.084 1.00 0.00 C ATOM 766 O ILE A 53 -0.229 4.734 -2.385 1.00 0.00 O ATOM 767 CB ILE A 53 1.132 3.245 0.197 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.189 2.142 0.681 1.00 0.00 C ATOM 769 CG2 ILE A 53 0.681 4.631 0.665 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.060 2.255 2.186 1.00 0.00 C ATOM 0 H ILE A 53 2.234 5.067 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 53 1.523 2.170 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 53 2.107 3.054 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.758 2.208 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.617 1.166 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.578 4.633 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.422 5.374 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.278 4.875 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.733 1.459 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.886 2.164 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.511 3.222 2.409 1.00 0.00 H new ATOM 782 N SER A 54 -0.778 2.540 -2.373 1.00 0.00 N ATOM 783 CA SER A 54 -2.026 2.734 -3.091 1.00 0.00 C ATOM 784 C SER A 54 -3.020 1.632 -2.721 1.00 0.00 C ATOM 785 O SER A 54 -2.806 0.464 -3.042 1.00 0.00 O ATOM 786 CB SER A 54 -1.793 2.753 -4.603 1.00 0.00 C ATOM 787 OG SER A 54 -0.469 3.161 -4.935 1.00 0.00 O ATOM 0 H SER A 54 -0.576 1.572 -2.123 1.00 0.00 H new ATOM 0 HA SER A 54 -2.441 3.700 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.979 1.759 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.509 3.429 -5.071 1.00 0.00 H new ATOM 0 HG SER A 54 -0.360 3.158 -5.909 1.00 0.00 H new ATOM 793 N TRP A 55 -4.086 2.042 -2.050 1.00 0.00 N ATOM 794 CA TRP A 55 -5.114 1.103 -1.632 1.00 0.00 C ATOM 795 C TRP A 55 -6.299 1.244 -2.590 1.00 0.00 C ATOM 796 O TRP A 55 -6.908 2.309 -2.677 1.00 0.00 O ATOM 797 CB TRP A 55 -5.498 1.327 -0.168 1.00 0.00 C ATOM 798 CG TRP A 55 -6.087 2.710 0.116 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.326 3.149 -0.145 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.407 3.824 0.732 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.493 4.459 0.255 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.289 4.883 0.805 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.089 3.934 1.211 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.950 6.127 1.352 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.766 5.183 1.753 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.643 6.259 1.835 1.00 0.00 C ATOM 0 H TRP A 55 -4.261 3.011 -1.785 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.745 0.078 -1.682 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.222 0.567 0.127 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.615 1.185 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.097 2.552 -0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.344 5.014 0.164 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.382 3.119 1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.659 6.940 1.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.765 5.321 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.317 7.192 2.269 1.00 0.00 H new ATOM 817 N GLU A 56 -6.591 0.153 -3.283 1.00 0.00 N ATOM 818 CA GLU A 56 -7.693 0.141 -4.230 1.00 0.00 C ATOM 819 C GLU A 56 -8.548 -1.112 -4.034 1.00 0.00 C ATOM 820 O GLU A 56 -8.023 -2.190 -3.757 1.00 0.00 O ATOM 821 CB GLU A 56 -7.180 0.234 -5.669 1.00 0.00 C ATOM 822 CG GLU A 56 -6.511 -1.073 -6.098 1.00 0.00 C ATOM 823 CD GLU A 56 -6.417 -1.166 -7.623 1.00 0.00 C ATOM 824 OE1 GLU A 56 -7.463 -0.943 -8.270 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.302 -1.457 -8.106 1.00 0.00 O ATOM 0 H GLU A 56 -6.084 -0.729 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.316 1.016 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.008 0.460 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.469 1.055 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.513 -1.134 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.079 -1.920 -5.713 1.00 0.00 H new ATOM 832 N GLU A 57 -9.852 -0.930 -4.185 1.00 0.00 N ATOM 833 CA GLU A 57 -10.785 -2.032 -4.027 1.00 0.00 C ATOM 834 C GLU A 57 -10.281 -3.266 -4.779 1.00 0.00 C ATOM 835 O GLU A 57 -9.292 -3.193 -5.507 1.00 0.00 O ATOM 836 CB GLU A 57 -12.186 -1.637 -4.499 1.00 0.00 C ATOM 837 CG GLU A 57 -13.126 -1.428 -3.311 1.00 0.00 C ATOM 838 CD GLU A 57 -14.590 -1.506 -3.750 1.00 0.00 C ATOM 839 OE1 GLU A 57 -15.022 -2.630 -4.086 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.243 -0.440 -3.740 1.00 0.00 O ATOM 0 H GLU A 57 -10.284 -0.035 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.850 -2.278 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.130 -0.722 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.586 -2.413 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.930 -2.184 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.931 -0.458 -2.854 1.00 0.00 H new ATOM 847 N TYR A 58 -10.984 -4.371 -4.577 1.00 0.00 N ATOM 848 CA TYR A 58 -10.620 -5.618 -5.226 1.00 0.00 C ATOM 849 C TYR A 58 -10.373 -5.406 -6.721 1.00 0.00 C ATOM 850 O TYR A 58 -9.255 -5.590 -7.201 1.00 0.00 O ATOM 851 CB TYR A 58 -11.819 -6.552 -5.047 1.00 0.00 C ATOM 852 CG TYR A 58 -11.759 -7.814 -5.911 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.817 -8.787 -5.646 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.647 -7.979 -6.954 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.761 -9.975 -6.458 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.591 -9.166 -7.767 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.651 -10.106 -7.478 1.00 0.00 C ATOM 858 OH TYR A 58 -11.598 -11.227 -8.246 1.00 0.00 O ATOM 0 H TYR A 58 -11.804 -4.428 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.706 -6.023 -4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.886 -6.844 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.731 -6.005 -5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.122 -8.658 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.384 -7.217 -7.161 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.029 -10.744 -6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.279 -9.307 -8.587 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.294 -11.185 -8.935 1.00 0.00 H new ATOM 868 N ASN A 59 -11.434 -5.023 -7.416 1.00 0.00 N ATOM 869 CA ASN A 59 -11.346 -4.784 -8.846 1.00 0.00 C ATOM 870 C ASN A 59 -11.944 -3.413 -9.168 1.00 0.00 C ATOM 871 O ASN A 59 -12.966 -3.321 -9.847 1.00 0.00 O ATOM 872 CB ASN A 59 -12.131 -5.838 -9.630 1.00 0.00 C ATOM 873 CG ASN A 59 -11.479 -6.110 -10.987 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.541 -5.311 -11.907 1.00 0.00 O ATOM 875 ND2 ASN A 59 -10.851 -7.280 -11.060 1.00 0.00 N ATOM 0 H ASN A 59 -12.360 -4.872 -7.015 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.295 -4.831 -9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.181 -6.762 -9.055 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.156 -5.498 -9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.383 -7.555 -11.924 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.837 -7.903 -10.252 1.00 0.00 H new ATOM 882 N ARG A 60 -11.283 -2.381 -8.664 1.00 0.00 N ATOM 883 CA ARG A 60 -11.736 -1.019 -8.889 1.00 0.00 C ATOM 884 C ARG A 60 -10.576 -0.038 -8.714 1.00 0.00 C ATOM 885 O ARG A 60 -10.169 0.252 -7.590 1.00 0.00 O ATOM 886 CB ARG A 60 -12.862 -0.647 -7.922 1.00 0.00 C ATOM 887 CG ARG A 60 -14.101 -1.511 -8.164 1.00 0.00 C ATOM 888 CD ARG A 60 -15.247 -1.098 -7.238 1.00 0.00 C ATOM 889 NE ARG A 60 -16.535 -1.171 -7.962 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.204 -2.309 -8.193 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.710 -3.476 -7.758 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.366 -2.279 -8.860 1.00 0.00 N ATOM 0 H ARG A 60 -10.437 -2.461 -8.100 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.115 -0.959 -9.909 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.521 -0.774 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.119 0.405 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.417 -1.417 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.855 -2.560 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.274 -1.751 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.083 -0.084 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.939 -0.300 -8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.825 -3.498 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.219 -4.342 -7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.741 -1.390 -9.192 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.875 -3.145 -9.036 1.00 0.00 H new ATOM 906 N THR A 61 -10.077 0.447 -9.841 1.00 0.00 N ATOM 907 CA THR A 61 -8.972 1.390 -9.826 1.00 0.00 C ATOM 908 C THR A 61 -9.468 2.787 -9.445 1.00 0.00 C ATOM 909 O THR A 61 -8.762 3.539 -8.776 1.00 0.00 O ATOM 910 CB THR A 61 -8.289 1.341 -11.194 1.00 0.00 C ATOM 911 OG1 THR A 61 -7.643 0.071 -11.213 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.140 2.345 -11.312 1.00 0.00 C ATOM 0 H THR A 61 -10.418 0.204 -10.771 1.00 0.00 H new ATOM 0 HA THR A 61 -8.235 1.123 -9.069 1.00 0.00 H new ATOM 0 HB THR A 61 -9.024 1.538 -11.974 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.556 -0.266 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.690 2.268 -12.302 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.523 3.355 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.388 2.128 -10.554 1.00 0.00 H new ATOM 920 N ASN A 62 -10.679 3.091 -9.888 1.00 0.00 N ATOM 921 CA ASN A 62 -11.278 4.384 -9.602 1.00 0.00 C ATOM 922 C ASN A 62 -11.152 4.679 -8.106 1.00 0.00 C ATOM 923 O ASN A 62 -11.036 5.837 -7.706 1.00 0.00 O ATOM 924 CB ASN A 62 -12.765 4.394 -9.962 1.00 0.00 C ATOM 925 CG ASN A 62 -13.146 5.690 -10.681 1.00 0.00 C ATOM 926 OD1 ASN A 62 -12.529 6.096 -11.651 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.194 6.314 -10.151 1.00 0.00 N ATOM 0 H ASN A 62 -11.262 2.464 -10.443 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.758 5.136 -10.196 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.994 3.540 -10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.363 4.287 -9.057 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.527 7.188 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.665 5.918 -9.337 1.00 0.00 H new ATOM 934 N THR A 63 -11.179 3.613 -7.320 1.00 0.00 N ATOM 935 CA THR A 63 -11.070 3.744 -5.877 1.00 0.00 C ATOM 936 C THR A 63 -9.610 3.605 -5.438 1.00 0.00 C ATOM 937 O THR A 63 -9.332 3.140 -4.334 1.00 0.00 O ATOM 938 CB THR A 63 -11.997 2.709 -5.237 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.831 1.547 -6.044 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.476 3.068 -5.400 1.00 0.00 C ATOM 0 H THR A 63 -11.275 2.654 -7.655 1.00 0.00 H new ATOM 0 HA THR A 63 -11.385 4.733 -5.545 1.00 0.00 H new ATOM 0 HB THR A 63 -11.760 2.616 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.881 1.428 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.091 2.301 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.671 4.031 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.721 3.128 -6.460 1.00 0.00 H new ATOM 948 N ARG A 64 -8.717 4.018 -6.326 1.00 0.00 N ATOM 949 CA ARG A 64 -7.294 3.946 -6.044 1.00 0.00 C ATOM 950 C ARG A 64 -6.783 5.298 -5.542 1.00 0.00 C ATOM 951 O ARG A 64 -7.173 6.344 -6.059 1.00 0.00 O ATOM 952 CB ARG A 64 -6.505 3.541 -7.291 1.00 0.00 C ATOM 953 CG ARG A 64 -5.011 3.432 -6.983 1.00 0.00 C ATOM 954 CD ARG A 64 -4.545 1.975 -7.037 1.00 0.00 C ATOM 955 NE ARG A 64 -3.214 1.892 -7.679 1.00 0.00 N ATOM 956 CZ ARG A 64 -3.021 1.843 -9.004 1.00 0.00 C ATOM 957 NH1 ARG A 64 -4.072 1.868 -9.836 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.778 1.769 -9.498 1.00 0.00 N ATOM 0 H ARG A 64 -8.952 4.403 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.147 3.189 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.874 2.586 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.664 4.275 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.444 4.026 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.808 3.846 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.498 1.562 -6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.265 1.375 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.392 1.871 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.019 1.924 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.925 1.831 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.978 1.750 -8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.631 1.732 -10.507 1.00 0.00 H new ATOM 972 N VAL A 65 -5.917 5.233 -4.541 1.00 0.00 N ATOM 973 CA VAL A 65 -5.349 6.439 -3.964 1.00 0.00 C ATOM 974 C VAL A 65 -3.835 6.439 -4.182 1.00 0.00 C ATOM 975 O VAL A 65 -3.239 5.392 -4.428 1.00 0.00 O ATOM 976 CB VAL A 65 -5.740 6.547 -2.488 1.00 0.00 C ATOM 977 CG1 VAL A 65 -5.016 5.491 -1.650 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.469 7.954 -1.951 1.00 0.00 C ATOM 0 H VAL A 65 -5.595 4.364 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.749 7.324 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.811 6.359 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.312 5.590 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.281 4.497 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.939 5.633 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.755 8.004 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.408 8.183 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.050 8.679 -2.520 1.00 0.00 H new ATOM 988 N THR A 66 -3.255 7.627 -4.086 1.00 0.00 N ATOM 989 CA THR A 66 -1.822 7.778 -4.270 1.00 0.00 C ATOM 990 C THR A 66 -1.209 8.531 -3.088 1.00 0.00 C ATOM 991 O THR A 66 -1.679 9.607 -2.721 1.00 0.00 O ATOM 992 CB THR A 66 -1.588 8.466 -5.616 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.170 7.577 -6.566 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.109 8.509 -6.003 1.00 0.00 C ATOM 0 H THR A 66 -3.752 8.494 -3.883 1.00 0.00 H new ATOM 0 HA THR A 66 -1.322 6.810 -4.292 1.00 0.00 H new ATOM 0 HB THR A 66 -1.982 9.482 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.065 7.947 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.001 9.008 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.450 9.058 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.278 7.493 -6.074 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.167 7.936 -2.525 1.00 0.00 N ATOM 1003 CA HIS A 67 0.515 8.537 -1.392 1.00 0.00 C ATOM 1004 C HIS A 67 2.020 8.287 -1.508 1.00 0.00 C ATOM 1005 O HIS A 67 2.449 7.370 -2.206 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.070 8.030 -0.072 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.377 8.682 0.311 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.459 8.186 0.977 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.675 9.999 0.006 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.368 9.148 1.074 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.884 10.273 0.473 1.00 0.00 N flip ATOM 0 H HIS A 67 0.221 7.044 -2.833 1.00 0.00 H new ATOM 0 HA HIS A 67 0.358 9.616 -1.400 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.220 6.953 -0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.655 8.199 0.724 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.553 7.237 1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.031 10.686 -0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.333 9.055 1.551 1.00 0.00 H new ATOM 1019 N TYR A 68 2.781 9.120 -0.813 1.00 0.00 N ATOM 1020 CA TYR A 68 4.229 9.000 -0.829 1.00 0.00 C ATOM 1021 C TYR A 68 4.800 9.056 0.590 1.00 0.00 C ATOM 1022 O TYR A 68 4.448 9.939 1.370 1.00 0.00 O ATOM 1023 CB TYR A 68 4.743 10.205 -1.620 1.00 0.00 C ATOM 1024 CG TYR A 68 4.176 10.306 -3.037 1.00 0.00 C ATOM 1025 CD1 TYR A 68 3.930 9.160 -3.765 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.911 11.544 -3.588 1.00 0.00 C ATOM 1027 CE1 TYR A 68 3.396 9.255 -5.100 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.378 11.639 -4.922 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.147 10.490 -5.612 1.00 0.00 C ATOM 1030 OH TYR A 68 2.643 10.580 -6.872 1.00 0.00 O ATOM 0 H TYR A 68 2.422 9.880 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 68 4.530 8.050 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.497 11.116 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.830 10.152 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.138 8.192 -3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.104 12.441 -3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.198 8.366 -5.680 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.166 12.601 -5.365 1.00 0.00 H new ATOM 0 HH TYR A 68 2.514 11.523 -7.106 1.00 0.00 H new ATOM 1040 N LEU A 69 5.672 8.102 0.880 1.00 0.00 N ATOM 1041 CA LEU A 69 6.295 8.031 2.191 1.00 0.00 C ATOM 1042 C LEU A 69 7.816 8.081 2.032 1.00 0.00 C ATOM 1043 O LEU A 69 8.340 7.803 0.954 1.00 0.00 O ATOM 1044 CB LEU A 69 5.797 6.803 2.955 1.00 0.00 C ATOM 1045 CG LEU A 69 4.288 6.555 2.917 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.963 5.096 3.241 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.549 7.526 3.840 1.00 0.00 C ATOM 0 H LEU A 69 5.962 7.372 0.230 1.00 0.00 H new ATOM 0 HA LEU A 69 6.009 8.892 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.300 5.923 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.103 6.899 3.997 1.00 0.00 H new ATOM 0 HG LEU A 69 3.937 6.745 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.884 4.947 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.442 4.445 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.331 4.854 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.478 7.328 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.899 7.393 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.743 8.550 3.521 1.00 0.00 H new ATOM 1059 N PRO A 70 8.499 8.447 3.149 1.00 0.00 N ATOM 1060 CA PRO A 70 9.949 8.537 3.144 1.00 0.00 C ATOM 1061 C PRO A 70 10.585 7.146 3.168 1.00 0.00 C ATOM 1062 O PRO A 70 9.883 6.139 3.249 1.00 0.00 O ATOM 1063 CB PRO A 70 10.296 9.371 4.366 1.00 0.00 C ATOM 1064 CG PRO A 70 9.070 9.324 5.264 1.00 0.00 C ATOM 1065 CD PRO A 70 7.911 8.783 4.442 1.00 0.00 C ATOM 0 HA PRO A 70 10.338 9.002 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.171 8.969 4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.535 10.397 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.255 8.687 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.837 10.319 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.466 7.907 4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.120 9.525 4.336 1.00 0.00 H new ATOM 1073 N ASN A 71 11.908 7.133 3.097 1.00 0.00 N ATOM 1074 CA ASN A 71 12.647 5.882 3.111 1.00 0.00 C ATOM 1075 C ASN A 71 12.912 5.467 4.559 1.00 0.00 C ATOM 1076 O ASN A 71 13.806 4.664 4.825 1.00 0.00 O ATOM 1077 CB ASN A 71 13.997 6.032 2.407 1.00 0.00 C ATOM 1078 CG ASN A 71 14.937 6.932 3.211 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.533 7.650 4.111 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.211 6.855 2.837 1.00 0.00 N ATOM 0 H ASN A 71 12.488 7.970 3.030 1.00 0.00 H new ATOM 0 HA ASN A 71 12.051 5.132 2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.453 5.051 2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.848 6.452 1.412 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.917 7.418 3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.482 6.233 2.075 1.00 0.00 H new ATOM 1087 N VAL A 72 12.119 6.032 5.458 1.00 0.00 N ATOM 1088 CA VAL A 72 12.257 5.730 6.872 1.00 0.00 C ATOM 1089 C VAL A 72 10.993 5.023 7.364 1.00 0.00 C ATOM 1090 O VAL A 72 11.021 4.326 8.378 1.00 0.00 O ATOM 1091 CB VAL A 72 12.569 7.010 7.652 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.820 7.696 7.102 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.372 7.962 7.643 1.00 0.00 C ATOM 0 H VAL A 72 11.379 6.697 5.234 1.00 0.00 H new ATOM 0 HA VAL A 72 13.094 5.052 7.038 1.00 0.00 H new ATOM 0 HB VAL A 72 12.768 6.732 8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.019 8.602 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.671 7.020 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.662 7.955 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.620 8.863 8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.128 8.230 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.514 7.472 8.104 1.00 0.00 H new ATOM 1103 N THR A 73 9.913 5.227 6.624 1.00 0.00 N ATOM 1104 CA THR A 73 8.641 4.617 6.972 1.00 0.00 C ATOM 1105 C THR A 73 8.316 3.474 6.009 1.00 0.00 C ATOM 1106 O THR A 73 8.566 3.578 4.809 1.00 0.00 O ATOM 1107 CB THR A 73 7.578 5.718 6.989 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.828 6.424 8.201 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.163 5.163 7.165 1.00 0.00 C ATOM 0 H THR A 73 9.893 5.806 5.785 1.00 0.00 H new ATOM 0 HA THR A 73 8.677 4.164 7.963 1.00 0.00 H new ATOM 0 HB THR A 73 7.631 6.288 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.184 7.157 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.448 5.985 7.170 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.932 4.487 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.100 4.621 8.109 1.00 0.00 H new ATOM 1117 N LEU A 74 7.764 2.408 6.571 1.00 0.00 N ATOM 1118 CA LEU A 74 7.403 1.246 5.777 1.00 0.00 C ATOM 1119 C LEU A 74 5.983 0.808 6.140 1.00 0.00 C ATOM 1120 O LEU A 74 5.524 -0.247 5.704 1.00 0.00 O ATOM 1121 CB LEU A 74 8.448 0.141 5.939 1.00 0.00 C ATOM 1122 CG LEU A 74 9.899 0.605 6.081 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.666 -0.285 7.061 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.586 0.681 4.717 1.00 0.00 C ATOM 0 H LEU A 74 7.558 2.325 7.567 1.00 0.00 H new ATOM 0 HA LEU A 74 7.399 1.495 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.189 -0.451 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.382 -0.523 5.077 1.00 0.00 H new ATOM 0 HG LEU A 74 9.896 1.613 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.694 0.067 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.189 -0.244 8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.662 -1.313 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.616 1.013 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.578 -0.304 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.054 1.388 4.081 1.00 0.00 H new ATOM 1136 N GLU A 75 5.326 1.640 6.935 1.00 0.00 N ATOM 1137 CA GLU A 75 3.967 1.351 7.362 1.00 0.00 C ATOM 1138 C GLU A 75 3.113 2.619 7.308 1.00 0.00 C ATOM 1139 O GLU A 75 3.623 3.724 7.488 1.00 0.00 O ATOM 1140 CB GLU A 75 3.951 0.739 8.764 1.00 0.00 C ATOM 1141 CG GLU A 75 3.957 1.828 9.838 1.00 0.00 C ATOM 1142 CD GLU A 75 4.866 1.442 11.006 1.00 0.00 C ATOM 1143 OE1 GLU A 75 4.392 0.663 11.861 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.016 1.933 11.018 1.00 0.00 O ATOM 0 H GLU A 75 5.709 2.514 7.295 1.00 0.00 H new ATOM 0 HA GLU A 75 3.540 0.619 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.067 0.113 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.819 0.092 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.296 2.769 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.942 1.991 10.201 1.00 0.00 H new ATOM 1151 N TYR A 76 1.827 2.418 7.058 1.00 0.00 N ATOM 1152 CA TYR A 76 0.897 3.532 6.978 1.00 0.00 C ATOM 1153 C TYR A 76 -0.545 3.057 7.168 1.00 0.00 C ATOM 1154 O TYR A 76 -0.883 1.930 6.809 1.00 0.00 O ATOM 1155 CB TYR A 76 1.050 4.108 5.569 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.011 5.147 5.203 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.247 4.739 4.744 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.267 6.493 5.332 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.246 5.717 4.400 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.732 7.471 4.987 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.939 7.035 4.538 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.883 7.959 4.213 1.00 0.00 O ATOM 0 H TYR A 76 1.407 1.500 6.908 1.00 0.00 H new ATOM 0 HA TYR A 76 1.109 4.266 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.036 4.564 5.479 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.009 3.292 4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.465 3.686 4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.234 6.813 5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.217 5.411 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.527 8.527 5.083 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.525 8.859 4.362 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.355 3.940 7.732 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.753 3.625 7.974 1.00 0.00 C ATOM 1174 C ARG A 77 -3.629 4.211 6.865 1.00 0.00 C ATOM 1175 O ARG A 77 -3.487 5.380 6.508 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.216 4.176 9.324 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.431 3.404 9.843 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.604 4.348 10.117 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.090 4.164 11.503 1.00 0.00 N ATOM 1180 CZ ARG A 77 -6.925 5.007 12.124 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -7.373 6.097 11.487 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -7.313 4.759 13.383 1.00 0.00 N ATOM 0 H ARG A 77 -1.070 4.874 8.029 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.851 2.539 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.403 4.109 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.467 5.232 9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.728 2.652 9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.166 2.873 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.292 5.382 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.411 4.153 9.411 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.769 3.344 12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.078 6.285 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.009 6.739 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.972 3.929 13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.949 5.401 13.856 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.516 3.372 6.349 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.414 3.792 5.288 1.00 0.00 C ATOM 1198 C VAL A 78 -6.779 4.138 5.887 1.00 0.00 C ATOM 1199 O VAL A 78 -7.159 3.599 6.926 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.492 2.710 4.209 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -4.873 1.400 4.701 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -6.936 2.496 3.750 1.00 0.00 C ATOM 0 H VAL A 78 -4.631 2.403 6.647 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.035 4.691 4.802 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.915 3.051 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.941 0.648 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.826 1.565 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.410 1.053 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.963 1.722 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.546 2.187 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.329 3.426 3.340 1.00 0.00 H new ATOM 1212 N THR A 79 -7.478 5.034 5.208 1.00 0.00 N ATOM 1213 CA THR A 79 -8.792 5.458 5.660 1.00 0.00 C ATOM 1214 C THR A 79 -9.630 5.951 4.479 1.00 0.00 C ATOM 1215 O THR A 79 -9.117 6.627 3.588 1.00 0.00 O ATOM 1216 CB THR A 79 -8.599 6.513 6.751 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.993 7.609 6.071 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.556 6.097 7.790 1.00 0.00 C ATOM 0 H THR A 79 -7.159 5.479 4.347 1.00 0.00 H new ATOM 0 HA THR A 79 -9.350 4.625 6.088 1.00 0.00 H new ATOM 0 HB THR A 79 -9.551 6.700 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.834 8.340 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.458 6.881 8.541 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.871 5.171 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.595 5.942 7.299 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.906 5.595 4.509 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.819 5.993 3.452 1.00 0.00 C ATOM 1228 C GLY A 80 -12.314 4.776 2.667 1.00 0.00 C ATOM 1229 O GLY A 80 -13.183 4.899 1.806 1.00 0.00 O ATOM 0 H GLY A 80 -11.329 5.035 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.669 6.523 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.319 6.687 2.777 1.00 0.00 H new ATOM 1233 N LEU A 81 -11.738 3.628 2.994 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.110 2.390 2.330 1.00 0.00 C ATOM 1235 C LEU A 81 -13.611 2.153 2.505 1.00 0.00 C ATOM 1236 O LEU A 81 -14.354 3.075 2.837 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.242 1.233 2.831 1.00 0.00 C ATOM 1238 CG LEU A 81 -9.729 1.445 2.749 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -8.981 0.365 3.533 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.264 1.521 1.293 1.00 0.00 C ATOM 0 H LEU A 81 -11.017 3.529 3.709 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.921 2.460 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.505 1.031 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.495 0.341 2.259 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.493 2.402 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.908 0.539 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.283 0.401 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.219 -0.615 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.185 1.672 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.515 0.591 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.761 2.354 0.795 1.00 0.00 H new ATOM 1252 N THR A 82 -14.013 0.911 2.274 1.00 0.00 N ATOM 1253 CA THR A 82 -15.412 0.542 2.402 1.00 0.00 C ATOM 1254 C THR A 82 -15.576 -0.579 3.430 1.00 0.00 C ATOM 1255 O THR A 82 -14.735 -1.473 3.519 1.00 0.00 O ATOM 1256 CB THR A 82 -15.932 0.171 1.011 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.593 1.295 0.203 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.460 0.118 0.952 1.00 0.00 C ATOM 0 H THR A 82 -13.394 0.148 1.999 1.00 0.00 H new ATOM 0 HA THR A 82 -16.008 1.374 2.777 1.00 0.00 H new ATOM 0 HB THR A 82 -15.523 -0.796 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.716 1.149 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.776 -0.149 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.826 -0.629 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.868 1.094 1.213 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.664 -0.495 4.182 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.948 -1.491 5.201 1.00 0.00 C ATOM 1268 C ALA A 83 -17.185 -2.846 4.531 1.00 0.00 C ATOM 1269 O ALA A 83 -17.814 -2.920 3.477 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.146 -1.037 6.038 1.00 0.00 C ATOM 0 H ALA A 83 -17.359 0.247 4.106 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.100 -1.601 5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.360 -1.784 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.916 -0.084 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.017 -0.919 5.393 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.667 -3.884 5.171 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.814 -5.233 4.651 1.00 0.00 C ATOM 1278 C LEU A 84 -16.609 -5.215 3.135 1.00 0.00 C ATOM 1279 O LEU A 84 -17.504 -5.590 2.379 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.155 -5.831 5.083 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.396 -5.917 6.591 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.576 -6.839 6.906 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.124 -6.343 7.326 1.00 0.00 C ATOM 0 H LEU A 84 -16.145 -3.818 6.045 1.00 0.00 H new ATOM 0 HA LEU A 84 -16.050 -5.888 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.955 -5.237 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.235 -6.834 4.665 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.659 -4.923 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.726 -6.883 7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.477 -6.452 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.367 -7.840 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.323 -6.396 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.807 -7.322 6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.335 -5.615 7.139 1.00 0.00 H new ATOM 1295 N THR A 85 -15.425 -4.776 2.735 1.00 0.00 N ATOM 1296 CA THR A 85 -15.090 -4.704 1.323 1.00 0.00 C ATOM 1297 C THR A 85 -13.653 -5.175 1.090 1.00 0.00 C ATOM 1298 O THR A 85 -12.793 -5.001 1.952 1.00 0.00 O ATOM 1299 CB THR A 85 -15.345 -3.272 0.849 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.764 -3.182 0.760 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.866 -3.036 -0.585 1.00 0.00 C ATOM 0 H THR A 85 -14.685 -4.466 3.365 1.00 0.00 H new ATOM 0 HA THR A 85 -15.717 -5.373 0.734 1.00 0.00 H new ATOM 0 HB THR A 85 -14.843 -2.574 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.140 -3.047 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.071 -2.005 -0.872 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.794 -3.224 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.392 -3.711 -1.260 1.00 0.00 H new ATOM 1309 N THR A 86 -13.438 -5.761 -0.078 1.00 0.00 N ATOM 1310 CA THR A 86 -12.121 -6.258 -0.435 1.00 0.00 C ATOM 1311 C THR A 86 -11.293 -5.151 -1.091 1.00 0.00 C ATOM 1312 O THR A 86 -11.760 -4.485 -2.013 1.00 0.00 O ATOM 1313 CB THR A 86 -12.304 -7.489 -1.325 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.056 -8.392 -0.519 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.989 -8.227 -1.583 1.00 0.00 C ATOM 0 H THR A 86 -14.155 -5.903 -0.790 1.00 0.00 H new ATOM 0 HA THR A 86 -11.560 -6.560 0.449 1.00 0.00 H new ATOM 0 HB THR A 86 -12.743 -7.186 -2.276 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.221 -9.218 -1.020 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.176 -9.092 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.287 -7.557 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.566 -8.559 -0.635 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.077 -4.990 -0.589 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.180 -3.975 -1.115 1.00 0.00 C ATOM 1325 C TYR A 87 -7.760 -4.524 -1.266 1.00 0.00 C ATOM 1326 O TYR A 87 -7.364 -5.439 -0.546 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.170 -2.845 -0.084 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.312 -1.841 -0.250 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.524 -2.065 0.371 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.130 -0.710 -1.020 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.599 -1.120 0.214 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.205 0.235 -1.177 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.386 -0.016 -0.551 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.401 0.877 -0.699 1.00 0.00 O ATOM 0 H TYR A 87 -9.692 -5.545 0.176 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.513 -3.641 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.223 -3.278 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.220 -2.314 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.666 -2.949 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.181 -0.534 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.553 -1.284 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.076 1.123 -1.778 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.106 1.616 -1.271 1.00 0.00 H new ATOM 1344 N THR A 88 -7.031 -3.942 -2.208 1.00 0.00 N ATOM 1345 CA THR A 88 -5.664 -4.362 -2.463 1.00 0.00 C ATOM 1346 C THR A 88 -4.702 -3.187 -2.276 1.00 0.00 C ATOM 1347 O THR A 88 -4.707 -2.244 -3.066 1.00 0.00 O ATOM 1348 CB THR A 88 -5.610 -4.973 -3.864 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.846 -6.362 -3.646 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.207 -4.925 -4.471 1.00 0.00 C ATOM 0 H THR A 88 -7.362 -3.183 -2.804 1.00 0.00 H new ATOM 0 HA THR A 88 -5.344 -5.121 -1.749 1.00 0.00 H new ATOM 0 HB THR A 88 -6.306 -4.445 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.830 -6.835 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.225 -5.371 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.878 -3.889 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.517 -5.481 -3.836 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.900 -3.282 -1.226 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.934 -2.238 -0.925 1.00 0.00 C ATOM 1360 C ILE A 89 -1.630 -2.526 -1.671 1.00 0.00 C ATOM 1361 O ILE A 89 -1.009 -3.568 -1.464 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.758 -2.091 0.588 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.081 -2.327 1.320 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.142 -0.736 0.939 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.176 -1.403 0.783 1.00 0.00 C ATOM 0 H ILE A 89 -3.899 -4.065 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.296 -1.271 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.062 -2.858 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.386 -3.367 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.946 -2.155 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.028 -0.657 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.165 -0.646 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.793 0.063 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.106 -1.591 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.878 -0.364 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.325 -1.595 -0.280 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.252 -1.584 -2.523 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.033 -1.724 -3.301 1.00 0.00 C ATOM 1379 C GLU A 90 1.083 -0.870 -2.695 1.00 0.00 C ATOM 1380 O GLU A 90 0.948 0.348 -2.586 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.272 -1.355 -4.766 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.380 -2.217 -5.374 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.266 -1.391 -6.310 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -1.702 -0.512 -6.997 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.487 -1.657 -6.316 1.00 0.00 O ATOM 0 H GLU A 90 -1.769 -0.721 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 90 0.277 -2.768 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.543 -0.302 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.649 -1.487 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.939 -3.048 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.988 -2.648 -4.579 1.00 0.00 H new ATOM 1392 N VAL A 91 2.161 -1.542 -2.318 1.00 0.00 N ATOM 1393 CA VAL A 91 3.299 -0.860 -1.727 1.00 0.00 C ATOM 1394 C VAL A 91 4.516 -1.024 -2.639 1.00 0.00 C ATOM 1395 O VAL A 91 4.854 -2.138 -3.036 1.00 0.00 O ATOM 1396 CB VAL A 91 3.542 -1.380 -0.308 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.823 -0.787 0.281 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.339 -1.092 0.594 1.00 0.00 C ATOM 0 H VAL A 91 2.270 -2.552 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 91 3.100 0.208 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 91 3.668 -2.461 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.972 -1.173 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.673 -1.064 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.738 0.299 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.537 -1.471 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.168 -0.016 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.454 -1.583 0.188 1.00 0.00 H new ATOM 1408 N ALA A 92 5.142 0.103 -2.945 1.00 0.00 N ATOM 1409 CA ALA A 92 6.315 0.099 -3.804 1.00 0.00 C ATOM 1410 C ALA A 92 7.374 1.034 -3.217 1.00 0.00 C ATOM 1411 O ALA A 92 7.055 1.925 -2.433 1.00 0.00 O ATOM 1412 CB ALA A 92 5.909 0.496 -5.225 1.00 0.00 C ATOM 0 H ALA A 92 4.859 1.025 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 92 6.749 -0.899 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.788 0.493 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.177 -0.216 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.472 1.494 -5.213 1.00 0.00 H new ATOM 1418 N ALA A 93 8.614 0.798 -3.621 1.00 0.00 N ATOM 1419 CA ALA A 93 9.723 1.608 -3.145 1.00 0.00 C ATOM 1420 C ALA A 93 10.065 2.664 -4.198 1.00 0.00 C ATOM 1421 O ALA A 93 10.100 2.368 -5.391 1.00 0.00 O ATOM 1422 CB ALA A 93 10.912 0.703 -2.818 1.00 0.00 C ATOM 0 H ALA A 93 8.875 0.058 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 93 9.451 2.132 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.744 1.310 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.625 -0.010 -2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.216 0.163 -3.715 1.00 0.00 H new ATOM 1428 N MET A 94 10.310 3.874 -3.717 1.00 0.00 N ATOM 1429 CA MET A 94 10.649 4.976 -4.602 1.00 0.00 C ATOM 1430 C MET A 94 12.111 5.390 -4.427 1.00 0.00 C ATOM 1431 O MET A 94 12.574 5.587 -3.304 1.00 0.00 O ATOM 1432 CB MET A 94 9.740 6.170 -4.301 1.00 0.00 C ATOM 1433 CG MET A 94 8.268 5.800 -4.489 1.00 0.00 C ATOM 1434 SD MET A 94 7.239 6.863 -3.491 1.00 0.00 S ATOM 1435 CE MET A 94 7.063 8.253 -4.597 1.00 0.00 C ATOM 0 H MET A 94 10.281 4.116 -2.726 1.00 0.00 H new ATOM 0 HA MET A 94 10.505 4.649 -5.632 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.906 6.509 -3.278 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.996 7.001 -4.958 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.992 5.895 -5.539 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.108 4.759 -4.210 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.835 9.150 -4.021 1.00 0.00 H new ATOM 0 HE2 MET A 94 7.993 8.401 -5.146 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.253 8.058 -5.300 1.00 0.00 H new ATOM 1445 N THR A 95 12.798 5.510 -5.553 1.00 0.00 N ATOM 1446 CA THR A 95 14.198 5.897 -5.539 1.00 0.00 C ATOM 1447 C THR A 95 14.403 7.189 -6.333 1.00 0.00 C ATOM 1448 O THR A 95 13.447 7.913 -6.605 1.00 0.00 O ATOM 1449 CB THR A 95 15.020 4.721 -6.070 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.568 4.560 -7.412 1.00 0.00 O ATOM 1451 CG2 THR A 95 14.654 3.398 -5.392 1.00 0.00 C ATOM 0 H THR A 95 12.411 5.346 -6.482 1.00 0.00 H new ATOM 0 HA THR A 95 14.536 6.118 -4.527 1.00 0.00 H new ATOM 0 HB THR A 95 16.081 4.923 -5.923 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.051 3.818 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.266 2.596 -5.805 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.834 3.477 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.601 3.178 -5.568 1.00 0.00 H new ATOM 1459 N SER A 96 15.656 7.438 -6.683 1.00 0.00 N ATOM 1460 CA SER A 96 15.999 8.630 -7.440 1.00 0.00 C ATOM 1461 C SER A 96 15.513 8.490 -8.884 1.00 0.00 C ATOM 1462 O SER A 96 15.608 9.432 -9.669 1.00 0.00 O ATOM 1463 CB SER A 96 17.507 8.887 -7.410 1.00 0.00 C ATOM 1464 OG SER A 96 18.192 8.165 -8.430 1.00 0.00 O ATOM 0 H SER A 96 16.447 6.835 -6.456 1.00 0.00 H new ATOM 0 HA SER A 96 15.503 9.483 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 96 17.695 9.954 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 96 17.904 8.603 -6.436 1.00 0.00 H new ATOM 0 HG SER A 96 19.152 8.357 -8.379 1.00 0.00 H new ATOM 1470 N LYS A 97 15.003 7.306 -9.191 1.00 0.00 N ATOM 1471 CA LYS A 97 14.502 7.030 -10.527 1.00 0.00 C ATOM 1472 C LYS A 97 12.995 7.289 -10.565 1.00 0.00 C ATOM 1473 O LYS A 97 12.508 8.016 -11.430 1.00 0.00 O ATOM 1474 CB LYS A 97 14.895 5.618 -10.965 1.00 0.00 C ATOM 1475 CG LYS A 97 16.291 5.607 -11.592 1.00 0.00 C ATOM 1476 CD LYS A 97 16.233 6.002 -13.068 1.00 0.00 C ATOM 1477 CE LYS A 97 15.777 4.825 -13.933 1.00 0.00 C ATOM 1478 NZ LYS A 97 15.360 5.297 -15.273 1.00 0.00 N ATOM 0 H LYS A 97 14.926 6.527 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 97 14.960 7.703 -11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.873 4.948 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.167 5.240 -11.683 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.941 6.296 -11.053 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.729 4.614 -11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.548 6.840 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.216 6.340 -13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.588 4.103 -14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.948 4.310 -13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.054 4.486 -15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.572 5.969 -15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.161 5.768 -15.740 1.00 0.00 H new ATOM 1492 N GLY A 98 12.298 6.680 -9.617 1.00 0.00 N ATOM 1493 CA GLY A 98 10.856 6.836 -9.531 1.00 0.00 C ATOM 1494 C GLY A 98 10.252 5.826 -8.553 1.00 0.00 C ATOM 1495 O GLY A 98 10.455 5.930 -7.344 1.00 0.00 O ATOM 0 H GLY A 98 12.705 6.078 -8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.615 7.849 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.413 6.702 -10.518 1.00 0.00 H new ATOM 1499 N GLN A 99 9.523 4.872 -9.112 1.00 0.00 N ATOM 1500 CA GLN A 99 8.889 3.844 -8.304 1.00 0.00 C ATOM 1501 C GLN A 99 9.192 2.458 -8.876 1.00 0.00 C ATOM 1502 O GLN A 99 9.129 2.254 -10.087 1.00 0.00 O ATOM 1503 CB GLN A 99 7.380 4.078 -8.205 1.00 0.00 C ATOM 1504 CG GLN A 99 6.696 2.934 -7.453 1.00 0.00 C ATOM 1505 CD GLN A 99 5.438 2.469 -8.189 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.361 2.379 -7.415 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.445 2.210 -9.381 1.00 0.00 N flip ATOM 0 H GLN A 99 9.357 4.789 -10.115 1.00 0.00 H new ATOM 0 HA GLN A 99 9.299 3.897 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.187 5.021 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.956 4.166 -9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.389 2.099 -7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.433 3.261 -6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.308 2.300 -9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.588 1.903 -9.841 1.00 0.00 H new ATOM 1516 N GLY A 100 9.515 1.540 -7.976 1.00 0.00 N ATOM 1517 CA GLY A 100 9.829 0.178 -8.376 1.00 0.00 C ATOM 1518 C GLY A 100 8.625 -0.744 -8.170 1.00 0.00 C ATOM 1519 O GLY A 100 7.521 -0.278 -7.896 1.00 0.00 O ATOM 0 H GLY A 100 9.566 1.712 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.129 0.163 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.676 -0.189 -7.797 1.00 0.00 H new ATOM 1523 N GLN A 101 8.881 -2.037 -8.310 1.00 0.00 N ATOM 1524 CA GLN A 101 7.832 -3.029 -8.143 1.00 0.00 C ATOM 1525 C GLN A 101 6.908 -2.636 -6.988 1.00 0.00 C ATOM 1526 O GLN A 101 7.308 -1.892 -6.094 1.00 0.00 O ATOM 1527 CB GLN A 101 8.426 -4.421 -7.920 1.00 0.00 C ATOM 1528 CG GLN A 101 7.685 -5.472 -8.749 1.00 0.00 C ATOM 1529 CD GLN A 101 8.668 -6.417 -9.443 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.547 -6.006 -10.182 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.472 -7.702 -9.164 1.00 0.00 N ATOM 0 H GLN A 101 9.799 -2.420 -8.537 1.00 0.00 H new ATOM 0 HA GLN A 101 7.242 -3.063 -9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.482 -4.417 -8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.369 -4.680 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.018 -6.045 -8.104 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.062 -4.979 -9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.717 -7.978 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.077 -8.412 -9.577 1.00 0.00 H new ATOM 1540 N VAL A 102 5.690 -3.153 -7.045 1.00 0.00 N ATOM 1541 CA VAL A 102 4.706 -2.865 -6.015 1.00 0.00 C ATOM 1542 C VAL A 102 4.091 -4.176 -5.523 1.00 0.00 C ATOM 1543 O VAL A 102 3.800 -5.067 -6.319 1.00 0.00 O ATOM 1544 CB VAL A 102 3.664 -1.879 -6.548 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.569 -2.608 -7.330 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.066 -1.047 -5.412 1.00 0.00 C ATOM 0 H VAL A 102 5.362 -3.770 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 102 5.179 -2.386 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 102 4.167 -1.197 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.841 -1.884 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.014 -3.136 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.070 -3.324 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.329 -0.354 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.585 -1.708 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.858 -0.485 -4.917 1.00 0.00 H new ATOM 1556 N SER A 103 3.912 -4.254 -4.212 1.00 0.00 N ATOM 1557 CA SER A 103 3.337 -5.441 -3.604 1.00 0.00 C ATOM 1558 C SER A 103 1.874 -5.185 -3.237 1.00 0.00 C ATOM 1559 O SER A 103 1.587 -4.543 -2.228 1.00 0.00 O ATOM 1560 CB SER A 103 4.129 -5.864 -2.365 1.00 0.00 C ATOM 1561 OG SER A 103 5.175 -6.776 -2.687 1.00 0.00 O ATOM 0 H SER A 103 4.155 -3.514 -3.554 1.00 0.00 H new ATOM 0 HA SER A 103 3.386 -6.254 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.552 -4.981 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.455 -6.325 -1.644 1.00 0.00 H new ATOM 0 HG SER A 103 5.658 -7.021 -1.870 1.00 0.00 H new ATOM 1567 N ALA A 104 0.987 -5.700 -4.076 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.439 -5.535 -3.852 1.00 0.00 C ATOM 1569 C ALA A 104 -0.975 -6.751 -3.093 1.00 0.00 C ATOM 1570 O ALA A 104 -0.914 -7.874 -3.590 1.00 0.00 O ATOM 1571 CB ALA A 104 -1.146 -5.327 -5.193 1.00 0.00 C ATOM 0 H ALA A 104 1.229 -6.232 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.632 -4.653 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.216 -5.203 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.749 -4.436 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.977 -6.194 -5.832 1.00 0.00 H new ATOM 1577 N SER A 105 -1.489 -6.484 -1.901 1.00 0.00 N ATOM 1578 CA SER A 105 -2.036 -7.542 -1.068 1.00 0.00 C ATOM 1579 C SER A 105 -3.532 -7.310 -0.843 1.00 0.00 C ATOM 1580 O SER A 105 -3.940 -6.223 -0.436 1.00 0.00 O ATOM 1581 CB SER A 105 -1.303 -7.622 0.272 1.00 0.00 C ATOM 1582 OG SER A 105 -0.682 -8.890 0.466 1.00 0.00 O ATOM 0 H SER A 105 -1.538 -5.551 -1.492 1.00 0.00 H new ATOM 0 HA SER A 105 -1.896 -8.492 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.548 -6.837 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.008 -7.436 1.082 1.00 0.00 H new ATOM 0 HG SER A 105 -0.223 -8.900 1.332 1.00 0.00 H new ATOM 1588 N THR A 106 -4.307 -8.349 -1.116 1.00 0.00 N ATOM 1589 CA THR A 106 -5.748 -8.272 -0.948 1.00 0.00 C ATOM 1590 C THR A 106 -6.118 -8.366 0.533 1.00 0.00 C ATOM 1591 O THR A 106 -5.649 -9.257 1.239 1.00 0.00 O ATOM 1592 CB THR A 106 -6.384 -9.369 -1.804 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.447 -9.573 -2.858 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.651 -8.896 -2.518 1.00 0.00 C ATOM 0 H THR A 106 -3.964 -9.249 -1.452 1.00 0.00 H new ATOM 0 HA THR A 106 -6.134 -7.311 -1.287 1.00 0.00 H new ATOM 0 HB THR A 106 -6.622 -10.227 -1.175 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.779 -10.271 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.061 -9.713 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.387 -8.578 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.409 -8.059 -3.173 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.956 -7.433 0.961 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.395 -7.399 2.346 1.00 0.00 C ATOM 1604 C ILE A 107 -8.820 -6.847 2.412 1.00 0.00 C ATOM 1605 O ILE A 107 -9.109 -5.796 1.841 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.394 -6.624 3.206 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.884 -6.513 4.652 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.093 -5.254 2.596 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.780 -7.860 5.371 1.00 0.00 C ATOM 0 H ILE A 107 -7.343 -6.695 0.373 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.424 -8.406 2.761 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.457 -7.181 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.294 -5.766 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.918 -6.169 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.379 -4.724 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.670 -5.384 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.015 -4.676 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.134 -7.753 6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.391 -8.598 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.741 -8.189 5.379 1.00 0.00 H new ATOM 1621 N SER A 108 -9.672 -7.579 3.114 1.00 0.00 N ATOM 1622 CA SER A 108 -11.060 -7.175 3.263 1.00 0.00 C ATOM 1623 C SER A 108 -11.254 -6.445 4.593 1.00 0.00 C ATOM 1624 O SER A 108 -11.003 -7.010 5.657 1.00 0.00 O ATOM 1625 CB SER A 108 -11.997 -8.382 3.178 1.00 0.00 C ATOM 1626 OG SER A 108 -13.300 -8.081 3.669 1.00 0.00 O ATOM 0 H SER A 108 -9.428 -8.450 3.586 1.00 0.00 H new ATOM 0 HA SER A 108 -11.308 -6.498 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.068 -8.714 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.576 -9.209 3.750 1.00 0.00 H new ATOM 0 HG SER A 108 -13.869 -8.876 3.597 1.00 0.00 H new ATOM 1632 N SER A 109 -11.698 -5.201 4.491 1.00 0.00 N ATOM 1633 CA SER A 109 -11.928 -4.389 5.673 1.00 0.00 C ATOM 1634 C SER A 109 -12.489 -5.255 6.802 1.00 0.00 C ATOM 1635 O SER A 109 -13.109 -6.287 6.548 1.00 0.00 O ATOM 1636 CB SER A 109 -12.880 -3.230 5.369 1.00 0.00 C ATOM 1637 OG SER A 109 -14.209 -3.682 5.126 1.00 0.00 O ATOM 0 H SER A 109 -11.905 -4.736 3.607 1.00 0.00 H new ATOM 0 HA SER A 109 -10.974 -3.966 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.882 -2.533 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.518 -2.682 4.499 1.00 0.00 H new ATOM 0 HG SER A 109 -14.664 -3.053 4.528 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.253 -4.803 8.025 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.728 -5.524 9.194 1.00 0.00 C ATOM 1645 C GLY A 110 -14.254 -5.473 9.287 1.00 0.00 C ATOM 1646 O GLY A 110 -14.942 -6.339 8.747 1.00 0.00 O ATOM 0 H GLY A 110 -11.739 -3.947 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.398 -6.562 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.291 -5.093 10.094 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.740 -4.451 9.976 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.172 -4.276 10.147 1.00 0.00 C ATOM 1652 C VAL A 111 -16.435 -2.975 10.908 1.00 0.00 C ATOM 1653 O VAL A 111 -15.686 -2.622 11.818 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.771 -5.504 10.836 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -16.077 -5.776 12.172 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.281 -5.345 11.024 1.00 0.00 C ATOM 0 H VAL A 111 -14.167 -3.735 10.423 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.665 -4.191 9.179 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.603 -6.366 10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.522 -6.654 12.641 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.015 -5.955 12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.199 -4.914 12.827 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.682 -6.231 11.516 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.481 -4.467 11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.758 -5.223 10.051 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.531 -2.281 10.499 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.902 -1.027 11.132 1.00 0.00 C ATOM 1668 C PRO A 112 -18.529 -1.272 12.506 1.00 0.00 C ATOM 1669 O PRO A 112 -19.483 -2.039 12.630 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.856 -0.360 10.155 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.345 -1.464 9.231 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.441 -2.670 9.425 1.00 0.00 C ATOM 0 HA PRO A 112 -17.043 -0.386 11.330 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.689 0.108 10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.352 0.426 9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.379 -1.722 9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.320 -1.132 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -19.015 -3.556 9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.897 -2.908 8.511 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.952 -0.589 13.531 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.444 -0.724 14.891 1.00 0.00 C ATOM 1682 C PRO A 113 -19.758 0.037 15.078 1.00 0.00 C ATOM 1683 O PRO A 113 -19.877 0.865 15.979 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.322 -0.195 15.770 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.439 0.642 14.859 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.821 0.328 13.422 1.00 0.00 C ATOM 0 HA PRO A 113 -18.683 -1.755 15.150 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.718 0.405 16.590 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.757 -1.013 16.217 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.574 1.703 15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.387 0.415 15.033 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.095 1.232 12.879 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.991 -0.129 12.882 1.00 0.00 H new