USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=34 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 82 THR OG1 : rot 79:sc= 0.673 USER MOD Set 1.2: A 87 TYR OH : rot 15:sc= 0.941 USER MOD Set 2.1: A 67 HIS :FLIP no HD1:sc= -2.94! F(o=-3.2,f=-2!) USER MOD Set 2.2: A 76 TYR OH : rot -90:sc= 0.987 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -0.268 F(o=-1.5,f=-0.27) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= -1.24 (180deg=-2.44!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.903 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 1.6 K(o=1.6,f=-0.6) USER MOD Single : A 49 THR OG1 : rot -170:sc= 0.0103 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.912 K(o=-0.91,f=-6.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00916 X(o=-0.0092,f=-0.013) USER MOD Single : A 63 THR OG1 : rot -58:sc= 0.328 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= 0.399 K(o=0.4,f=-6!) 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 80:sc= 0.896 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0631 USER MOD Single : A 94 MET CE :methyl -158:sc= -1.05 (180deg=-3.41!) USER MOD Single : A 95 THR OG1 : rot 160:sc= -0.736 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 175:sc=-0.000583 (180deg=-0.0314) USER MOD Single : A 99 GLN :FLIP amide:sc= -2.13 F(o=-3.7!,f=-2.1) USER MOD Single : A 101 GLN : amide:sc= -0.435 K(o=-0.43,f=-2.6!) 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 106 THR OG1 : rot -56:sc= 0.0458 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -165:sc= -0.423! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.293 -0.605 -13.334 1.00 0.00 N ATOM 203 CA ASP A 16 17.073 0.160 -12.375 1.00 0.00 C ATOM 204 C ASP A 16 16.307 0.245 -11.053 1.00 0.00 C ATOM 205 O ASP A 16 16.823 -0.144 -10.006 1.00 0.00 O ATOM 206 CB ASP A 16 17.315 1.586 -12.874 1.00 0.00 C ATOM 207 CG ASP A 16 18.408 2.355 -12.128 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.164 2.685 -10.948 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.462 2.594 -12.756 1.00 0.00 O ATOM 0 HA ASP A 16 18.031 -0.343 -12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.577 1.545 -13.931 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.382 2.145 -12.798 1.00 0.00 H new ATOM 214 N VAL A 17 15.088 0.755 -11.145 1.00 0.00 N ATOM 215 CA VAL A 17 14.245 0.897 -9.969 1.00 0.00 C ATOM 216 C VAL A 17 14.347 -0.371 -9.119 1.00 0.00 C ATOM 217 O VAL A 17 14.830 -1.401 -9.588 1.00 0.00 O ATOM 218 CB VAL A 17 12.810 1.220 -10.390 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.644 2.715 -10.669 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.393 0.386 -11.604 1.00 0.00 C ATOM 0 H VAL A 17 14.663 1.075 -12.015 1.00 0.00 H new ATOM 0 HA VAL A 17 14.584 1.730 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 17 12.151 0.958 -9.562 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.615 2.918 -10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.880 3.282 -9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.319 3.012 -11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.369 0.635 -11.882 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.059 0.602 -12.440 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.454 -0.674 -11.356 1.00 0.00 H new ATOM 230 N PRO A 18 13.874 -0.251 -7.850 1.00 0.00 N ATOM 231 CA PRO A 18 13.907 -1.375 -6.929 1.00 0.00 C ATOM 232 C PRO A 18 12.824 -2.399 -7.274 1.00 0.00 C ATOM 233 O PRO A 18 12.069 -2.212 -8.227 1.00 0.00 O ATOM 234 CB PRO A 18 13.726 -0.760 -5.551 1.00 0.00 C ATOM 235 CG PRO A 18 13.135 0.621 -5.785 1.00 0.00 C ATOM 236 CD PRO A 18 13.295 0.952 -7.260 1.00 0.00 C ATOM 0 HA PRO A 18 14.841 -1.934 -6.981 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.064 -1.369 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.678 -0.693 -5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.083 0.639 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.644 1.363 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.336 1.195 -7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.945 1.815 -7.404 1.00 0.00 H new ATOM 244 N GLY A 19 12.782 -3.458 -6.480 1.00 0.00 N ATOM 245 CA GLY A 19 11.803 -4.512 -6.689 1.00 0.00 C ATOM 246 C GLY A 19 10.679 -4.429 -5.655 1.00 0.00 C ATOM 247 O GLY A 19 10.360 -3.348 -5.164 1.00 0.00 O ATOM 0 H GLY A 19 13.410 -3.609 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.385 -4.432 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.291 -5.485 -6.624 1.00 0.00 H new ATOM 251 N PRO A 20 10.093 -5.617 -5.346 1.00 0.00 N ATOM 252 CA PRO A 20 9.010 -5.690 -4.380 1.00 0.00 C ATOM 253 C PRO A 20 9.540 -5.541 -2.952 1.00 0.00 C ATOM 254 O PRO A 20 10.543 -6.154 -2.591 1.00 0.00 O ATOM 255 CB PRO A 20 8.348 -7.034 -4.630 1.00 0.00 C ATOM 256 CG PRO A 20 9.362 -7.860 -5.406 1.00 0.00 C ATOM 257 CD PRO A 20 10.444 -6.918 -5.908 1.00 0.00 C ATOM 0 HA PRO A 20 8.290 -4.880 -4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.085 -7.520 -3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.425 -6.915 -5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.793 -8.632 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.881 -8.369 -6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.432 -7.238 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.467 -6.886 -6.997 1.00 0.00 H new ATOM 265 N VAL A 21 8.842 -4.722 -2.178 1.00 0.00 N ATOM 266 CA VAL A 21 9.229 -4.485 -0.798 1.00 0.00 C ATOM 267 C VAL A 21 9.306 -5.822 -0.058 1.00 0.00 C ATOM 268 O VAL A 21 9.120 -6.880 -0.658 1.00 0.00 O ATOM 269 CB VAL A 21 8.261 -3.496 -0.146 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.581 -2.060 -0.565 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.810 -3.852 -0.472 1.00 0.00 C ATOM 0 H VAL A 21 8.011 -4.214 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 21 10.218 -4.030 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 21 8.387 -3.566 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.879 -1.377 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.596 -1.809 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.496 -1.970 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.143 -3.133 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.662 -3.824 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.589 -4.853 -0.101 1.00 0.00 H new ATOM 281 N GLY A 22 9.582 -5.731 1.235 1.00 0.00 N ATOM 282 CA GLY A 22 9.686 -6.920 2.063 1.00 0.00 C ATOM 283 C GLY A 22 8.456 -7.815 1.896 1.00 0.00 C ATOM 284 O GLY A 22 8.483 -8.776 1.129 1.00 0.00 O ATOM 0 H GLY A 22 9.737 -4.852 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.584 -7.477 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.790 -6.631 3.109 1.00 0.00 H new ATOM 288 N HIS A 23 7.408 -7.467 2.627 1.00 0.00 N ATOM 289 CA HIS A 23 6.170 -8.226 2.570 1.00 0.00 C ATOM 290 C HIS A 23 5.016 -7.366 3.087 1.00 0.00 C ATOM 291 O HIS A 23 5.117 -6.761 4.154 1.00 0.00 O ATOM 292 CB HIS A 23 6.309 -9.549 3.325 1.00 0.00 C ATOM 293 CG HIS A 23 6.679 -9.389 4.781 1.00 0.00 C ATOM 294 ND1 HIS A 23 7.025 -8.281 5.496 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 6.720 -10.453 5.665 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 7.263 -8.647 6.749 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 7.075 -9.994 6.856 1.00 0.00 N flip ATOM 0 H HIS A 23 7.390 -6.669 3.262 1.00 0.00 H new ATOM 0 HA HIS A 23 5.947 -8.487 1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.368 -10.095 3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.067 -10.159 2.833 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.090 -7.331 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.500 -11.483 5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.557 -7.987 7.552 1.00 0.00 H new ATOM 305 N LEU A 24 3.944 -7.339 2.308 1.00 0.00 N ATOM 306 CA LEU A 24 2.772 -6.563 2.675 1.00 0.00 C ATOM 307 C LEU A 24 2.219 -7.080 4.004 1.00 0.00 C ATOM 308 O LEU A 24 2.206 -8.285 4.249 1.00 0.00 O ATOM 309 CB LEU A 24 1.748 -6.570 1.538 1.00 0.00 C ATOM 310 CG LEU A 24 1.651 -5.285 0.714 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.797 -4.237 1.431 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.042 -4.751 0.366 1.00 0.00 C ATOM 0 H LEU A 24 3.863 -7.842 1.424 1.00 0.00 H new ATOM 0 HA LEU A 24 3.039 -5.517 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.988 -7.393 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.766 -6.781 1.961 1.00 0.00 H new ATOM 0 HG LEU A 24 1.151 -5.519 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.744 -3.333 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.208 -4.630 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.246 -4.000 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.945 -3.837 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.590 -4.537 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.584 -5.498 -0.214 1.00 0.00 H new ATOM 324 N SER A 25 1.775 -6.142 4.828 1.00 0.00 N ATOM 325 CA SER A 25 1.222 -6.487 6.127 1.00 0.00 C ATOM 326 C SER A 25 0.050 -5.561 6.460 1.00 0.00 C ATOM 327 O SER A 25 0.053 -4.391 6.082 1.00 0.00 O ATOM 328 CB SER A 25 2.290 -6.406 7.219 1.00 0.00 C ATOM 329 OG SER A 25 1.873 -7.047 8.422 1.00 0.00 O ATOM 0 H SER A 25 1.787 -5.143 4.621 1.00 0.00 H new ATOM 0 HA SER A 25 0.863 -7.515 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.210 -6.869 6.862 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.519 -5.360 7.426 1.00 0.00 H new ATOM 0 HG SER A 25 2.583 -6.975 9.094 1.00 0.00 H new ATOM 335 N PHE A 26 -0.923 -6.120 7.164 1.00 0.00 N ATOM 336 CA PHE A 26 -2.098 -5.359 7.552 1.00 0.00 C ATOM 337 C PHE A 26 -2.467 -5.627 9.013 1.00 0.00 C ATOM 338 O PHE A 26 -2.610 -6.779 9.420 1.00 0.00 O ATOM 339 CB PHE A 26 -3.248 -5.823 6.655 1.00 0.00 C ATOM 340 CG PHE A 26 -3.009 -5.582 5.164 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.417 -4.431 4.747 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.390 -6.518 4.254 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.195 -4.207 3.362 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.169 -6.295 2.869 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.577 -5.144 2.453 1.00 0.00 C ATOM 0 H PHE A 26 -0.922 -7.091 7.476 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.902 -4.292 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.416 -6.888 6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.160 -5.307 6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.115 -3.687 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.861 -7.432 4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.723 -3.294 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.471 -7.039 2.147 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.410 -4.973 1.400 1.00 0.00 H new ATOM 355 N SER A 27 -2.610 -4.543 9.762 1.00 0.00 N ATOM 356 CA SER A 27 -2.959 -4.646 11.168 1.00 0.00 C ATOM 357 C SER A 27 -3.982 -3.569 11.534 1.00 0.00 C ATOM 358 O SER A 27 -4.261 -2.676 10.735 1.00 0.00 O ATOM 359 CB SER A 27 -1.718 -4.522 12.054 1.00 0.00 C ATOM 360 OG SER A 27 -1.037 -5.765 12.197 1.00 0.00 O ATOM 0 H SER A 27 -2.490 -3.589 9.421 1.00 0.00 H new ATOM 0 HA SER A 27 -3.398 -5.629 11.340 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.039 -3.784 11.626 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.010 -4.154 13.037 1.00 0.00 H new ATOM 0 HG SER A 27 -0.250 -5.643 12.768 1.00 0.00 H new ATOM 366 N GLU A 28 -4.513 -3.688 12.742 1.00 0.00 N ATOM 367 CA GLU A 28 -5.500 -2.736 13.223 1.00 0.00 C ATOM 368 C GLU A 28 -6.453 -2.343 12.093 1.00 0.00 C ATOM 369 O GLU A 28 -6.595 -1.163 11.778 1.00 0.00 O ATOM 370 CB GLU A 28 -4.823 -1.502 13.823 1.00 0.00 C ATOM 371 CG GLU A 28 -4.085 -1.856 15.116 1.00 0.00 C ATOM 372 CD GLU A 28 -4.447 -0.881 16.238 1.00 0.00 C ATOM 373 OE1 GLU A 28 -4.526 0.329 15.935 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.636 -1.368 17.374 1.00 0.00 O ATOM 0 H GLU A 28 -4.278 -4.429 13.402 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.081 -3.212 14.013 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.121 -1.082 13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.570 -0.735 14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.338 -2.873 15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.009 -1.834 14.943 1.00 0.00 H new ATOM 381 N ILE A 29 -7.083 -3.355 11.514 1.00 0.00 N ATOM 382 CA ILE A 29 -8.019 -3.130 10.426 1.00 0.00 C ATOM 383 C ILE A 29 -9.400 -2.814 11.004 1.00 0.00 C ATOM 384 O ILE A 29 -9.848 -3.469 11.943 1.00 0.00 O ATOM 385 CB ILE A 29 -8.014 -4.317 9.460 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.585 -4.698 9.067 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.888 -4.033 8.237 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.570 -5.506 7.768 1.00 0.00 C ATOM 0 H ILE A 29 -6.963 -4.333 11.778 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.715 -2.266 9.835 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.447 -5.176 9.973 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.985 -3.796 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.127 -5.280 9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.867 -4.893 7.567 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.913 -3.848 8.558 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.508 -3.156 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.542 -5.764 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.151 -6.419 7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.006 -4.912 6.965 1.00 0.00 H new ATOM 400 N LEU A 30 -10.035 -1.810 10.418 1.00 0.00 N ATOM 401 CA LEU A 30 -11.356 -1.398 10.863 1.00 0.00 C ATOM 402 C LEU A 30 -12.392 -1.800 9.811 1.00 0.00 C ATOM 403 O LEU A 30 -12.442 -2.957 9.394 1.00 0.00 O ATOM 404 CB LEU A 30 -11.368 0.094 11.198 1.00 0.00 C ATOM 405 CG LEU A 30 -10.456 0.531 12.347 1.00 0.00 C ATOM 406 CD1 LEU A 30 -10.841 -0.171 13.650 1.00 0.00 C ATOM 407 CD2 LEU A 30 -8.984 0.312 11.992 1.00 0.00 C ATOM 0 H LEU A 30 -9.660 -1.269 9.639 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.623 -1.910 11.787 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.084 0.649 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.390 0.383 11.442 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.594 1.601 12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.177 0.157 14.450 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.870 0.078 13.907 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.750 -1.250 13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.358 0.631 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.811 -0.745 11.792 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.733 0.895 11.106 1.00 0.00 H new ATOM 419 N ASP A 31 -13.193 -0.823 9.412 1.00 0.00 N ATOM 420 CA ASP A 31 -14.225 -1.061 8.417 1.00 0.00 C ATOM 421 C ASP A 31 -13.863 -0.323 7.127 1.00 0.00 C ATOM 422 O ASP A 31 -14.164 -0.795 6.032 1.00 0.00 O ATOM 423 CB ASP A 31 -15.582 -0.539 8.896 1.00 0.00 C ATOM 424 CG ASP A 31 -15.700 0.984 8.967 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.706 1.611 9.393 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.782 1.488 8.595 1.00 0.00 O ATOM 0 H ASP A 31 -13.148 0.135 9.760 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.291 -2.136 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.356 -0.918 8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.784 -0.951 9.885 1.00 0.00 H new ATOM 431 N THR A 32 -13.222 0.824 7.299 1.00 0.00 N ATOM 432 CA THR A 32 -12.815 1.632 6.162 1.00 0.00 C ATOM 433 C THR A 32 -11.416 2.206 6.389 1.00 0.00 C ATOM 434 O THR A 32 -11.079 3.261 5.852 1.00 0.00 O ATOM 435 CB THR A 32 -13.883 2.704 5.938 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.093 3.261 7.233 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.242 2.109 5.564 1.00 0.00 C ATOM 0 H THR A 32 -12.975 1.213 8.209 1.00 0.00 H new ATOM 0 HA THR A 32 -12.742 1.031 5.256 1.00 0.00 H new ATOM 0 HB THR A 32 -13.555 3.383 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.771 3.967 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.963 2.913 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.146 1.534 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.586 1.456 6.366 1.00 0.00 H new ATOM 445 N SER A 33 -10.638 1.488 7.185 1.00 0.00 N ATOM 446 CA SER A 33 -9.282 1.913 7.490 1.00 0.00 C ATOM 447 C SER A 33 -8.477 0.736 8.044 1.00 0.00 C ATOM 448 O SER A 33 -9.003 -0.079 8.801 1.00 0.00 O ATOM 449 CB SER A 33 -9.280 3.074 8.487 1.00 0.00 C ATOM 450 OG SER A 33 -10.467 3.103 9.275 1.00 0.00 O ATOM 0 H SER A 33 -10.921 0.614 7.628 1.00 0.00 H new ATOM 0 HA SER A 33 -8.817 2.261 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.412 2.988 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.180 4.016 7.947 1.00 0.00 H new ATOM 0 HG SER A 33 -10.427 3.857 9.900 1.00 0.00 H new ATOM 456 N LEU A 34 -7.214 0.684 7.646 1.00 0.00 N ATOM 457 CA LEU A 34 -6.331 -0.379 8.093 1.00 0.00 C ATOM 458 C LEU A 34 -4.885 0.118 8.061 1.00 0.00 C ATOM 459 O LEU A 34 -4.553 1.026 7.301 1.00 0.00 O ATOM 460 CB LEU A 34 -6.564 -1.649 7.272 1.00 0.00 C ATOM 461 CG LEU A 34 -6.530 -1.481 5.752 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.090 -1.447 5.236 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.361 -2.565 5.062 1.00 0.00 C ATOM 0 H LEU A 34 -6.781 1.362 7.018 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.552 -0.650 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.809 -2.383 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.532 -2.065 7.550 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.983 -0.521 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.094 -1.327 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.560 -0.611 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.588 -2.379 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.320 -2.423 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.960 -3.547 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.396 -2.499 5.398 1.00 0.00 H new ATOM 475 N LYS A 35 -4.062 -0.501 8.895 1.00 0.00 N ATOM 476 CA LYS A 35 -2.658 -0.133 8.971 1.00 0.00 C ATOM 477 C LYS A 35 -1.848 -1.030 8.033 1.00 0.00 C ATOM 478 O LYS A 35 -1.874 -2.253 8.162 1.00 0.00 O ATOM 479 CB LYS A 35 -2.174 -0.165 10.422 1.00 0.00 C ATOM 480 CG LYS A 35 -0.875 0.627 10.585 1.00 0.00 C ATOM 481 CD LYS A 35 0.237 -0.254 11.157 1.00 0.00 C ATOM 482 CE LYS A 35 0.947 -1.031 10.046 1.00 0.00 C ATOM 483 NZ LYS A 35 0.445 -2.422 9.985 1.00 0.00 N ATOM 0 H LYS A 35 -4.340 -1.255 9.524 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.515 0.893 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.942 0.251 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.016 -1.197 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.566 1.028 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.044 1.478 11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.958 0.365 11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.183 -0.951 11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.785 -0.537 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.022 -1.034 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.493 -2.766 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.030 -3.029 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.541 -2.450 10.313 1.00 0.00 H new ATOM 497 N VAL A 36 -1.148 -0.387 7.110 1.00 0.00 N ATOM 498 CA VAL A 36 -0.332 -1.111 6.150 1.00 0.00 C ATOM 499 C VAL A 36 1.127 -1.093 6.611 1.00 0.00 C ATOM 500 O VAL A 36 1.604 -0.085 7.130 1.00 0.00 O ATOM 501 CB VAL A 36 -0.525 -0.524 4.751 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.375 -1.227 3.732 1.00 0.00 C ATOM 503 CG2 VAL A 36 -1.993 -0.593 4.324 1.00 0.00 C ATOM 0 H VAL A 36 -1.129 0.628 7.007 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.642 -2.154 6.095 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.235 0.526 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.218 -0.790 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.418 -1.103 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.130 -2.289 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.102 -0.169 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.321 -1.633 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.603 -0.027 5.027 1.00 0.00 H new ATOM 513 N SER A 37 1.794 -2.218 6.403 1.00 0.00 N ATOM 514 CA SER A 37 3.189 -2.344 6.791 1.00 0.00 C ATOM 515 C SER A 37 3.946 -3.180 5.757 1.00 0.00 C ATOM 516 O SER A 37 3.340 -3.942 5.005 1.00 0.00 O ATOM 517 CB SER A 37 3.320 -2.972 8.180 1.00 0.00 C ATOM 518 OG SER A 37 4.195 -4.097 8.177 1.00 0.00 O ATOM 0 H SER A 37 1.395 -3.051 5.971 1.00 0.00 H new ATOM 0 HA SER A 37 3.624 -1.346 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.692 -2.225 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.336 -3.279 8.533 1.00 0.00 H new ATOM 0 HG SER A 37 4.253 -4.469 9.082 1.00 0.00 H new ATOM 524 N TRP A 38 5.260 -3.008 5.752 1.00 0.00 N ATOM 525 CA TRP A 38 6.106 -3.737 4.823 1.00 0.00 C ATOM 526 C TRP A 38 7.552 -3.618 5.307 1.00 0.00 C ATOM 527 O TRP A 38 7.813 -3.031 6.356 1.00 0.00 O ATOM 528 CB TRP A 38 5.911 -3.232 3.392 1.00 0.00 C ATOM 529 CG TRP A 38 6.155 -1.731 3.223 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.314 -1.107 2.971 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.165 -0.684 3.305 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.144 0.260 2.885 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.796 0.525 3.095 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.782 -0.757 3.549 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.123 1.753 3.107 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.125 0.479 3.559 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.745 1.705 3.348 1.00 0.00 C ATOM 0 H TRP A 38 5.759 -2.374 6.377 1.00 0.00 H new ATOM 0 HA TRP A 38 5.833 -4.792 4.799 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.585 -3.776 2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.895 -3.463 3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.262 -1.610 2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.873 0.949 2.701 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.268 -1.692 3.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.639 2.687 2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.061 0.480 3.744 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.166 2.616 3.370 1.00 0.00 H new ATOM 548 N GLN A 39 8.455 -4.185 4.520 1.00 0.00 N ATOM 549 CA GLN A 39 9.868 -4.150 4.855 1.00 0.00 C ATOM 550 C GLN A 39 10.680 -3.604 3.679 1.00 0.00 C ATOM 551 O GLN A 39 10.120 -3.271 2.635 1.00 0.00 O ATOM 552 CB GLN A 39 10.368 -5.535 5.271 1.00 0.00 C ATOM 553 CG GLN A 39 10.720 -5.567 6.759 1.00 0.00 C ATOM 554 CD GLN A 39 11.330 -6.915 7.149 1.00 0.00 C ATOM 555 OE1 GLN A 39 11.197 -7.910 6.456 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.005 -6.892 8.295 1.00 0.00 N ATOM 0 H GLN A 39 8.235 -4.671 3.651 1.00 0.00 H new ATOM 0 HA GLN A 39 10.003 -3.481 5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.602 -6.281 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.245 -5.802 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.423 -4.766 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.824 -5.384 7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.078 -6.025 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.450 -7.742 8.642 1.00 0.00 H new ATOM 565 N GLU A 40 11.986 -3.529 3.886 1.00 0.00 N ATOM 566 CA GLU A 40 12.880 -3.030 2.855 1.00 0.00 C ATOM 567 C GLU A 40 13.173 -4.127 1.830 1.00 0.00 C ATOM 568 O GLU A 40 13.450 -5.268 2.197 1.00 0.00 O ATOM 569 CB GLU A 40 14.175 -2.491 3.467 1.00 0.00 C ATOM 570 CG GLU A 40 14.256 -0.970 3.327 1.00 0.00 C ATOM 571 CD GLU A 40 15.349 -0.394 4.230 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.734 -1.107 5.181 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.774 0.747 3.948 1.00 0.00 O ATOM 0 H GLU A 40 12.447 -3.806 4.753 1.00 0.00 H new ATOM 0 HA GLU A 40 12.387 -2.204 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.225 -2.766 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.033 -2.951 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.461 -0.707 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.295 -0.526 3.585 1.00 0.00 H new ATOM 580 N PRO A 41 13.100 -3.733 0.530 1.00 0.00 N ATOM 581 CA PRO A 41 13.354 -4.669 -0.551 1.00 0.00 C ATOM 582 C PRO A 41 14.851 -4.958 -0.687 1.00 0.00 C ATOM 583 O PRO A 41 15.682 -4.110 -0.363 1.00 0.00 O ATOM 584 CB PRO A 41 12.762 -4.013 -1.788 1.00 0.00 C ATOM 585 CG PRO A 41 12.614 -2.539 -1.446 1.00 0.00 C ATOM 586 CD PRO A 41 12.775 -2.390 0.057 1.00 0.00 C ATOM 0 HA PRO A 41 12.899 -5.644 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.412 -4.150 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.798 -4.454 -2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.365 -1.948 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.639 -2.170 -1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.566 -1.682 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.860 -2.018 0.518 1.00 0.00 H new ATOM 594 N GLY A 42 15.149 -6.157 -1.165 1.00 0.00 N ATOM 595 CA GLY A 42 16.531 -6.568 -1.347 1.00 0.00 C ATOM 596 C GLY A 42 17.106 -5.997 -2.645 1.00 0.00 C ATOM 597 O GLY A 42 18.321 -5.987 -2.838 1.00 0.00 O ATOM 0 H GLY A 42 14.457 -6.857 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.129 -6.230 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.591 -7.656 -1.366 1.00 0.00 H new ATOM 601 N GLU A 43 16.206 -5.536 -3.501 1.00 0.00 N ATOM 602 CA GLU A 43 16.609 -4.965 -4.775 1.00 0.00 C ATOM 603 C GLU A 43 16.615 -3.437 -4.694 1.00 0.00 C ATOM 604 O GLU A 43 16.248 -2.759 -5.653 1.00 0.00 O ATOM 605 CB GLU A 43 15.700 -5.451 -5.906 1.00 0.00 C ATOM 606 CG GLU A 43 16.204 -6.774 -6.485 1.00 0.00 C ATOM 607 CD GLU A 43 17.483 -6.565 -7.297 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.366 -5.996 -8.404 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.550 -6.979 -6.793 1.00 0.00 O ATOM 0 H GLU A 43 15.199 -5.546 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 43 17.622 -5.301 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.684 -5.577 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.659 -4.698 -6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.394 -7.480 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.434 -7.214 -7.119 1.00 0.00 H new ATOM 616 N LYS A 44 17.034 -2.939 -3.540 1.00 0.00 N ATOM 617 CA LYS A 44 17.093 -1.504 -3.321 1.00 0.00 C ATOM 618 C LYS A 44 17.604 -0.819 -4.590 1.00 0.00 C ATOM 619 O LYS A 44 17.169 0.282 -4.925 1.00 0.00 O ATOM 620 CB LYS A 44 17.920 -1.185 -2.074 1.00 0.00 C ATOM 621 CG LYS A 44 17.262 -1.760 -0.818 1.00 0.00 C ATOM 622 CD LYS A 44 17.766 -1.049 0.439 1.00 0.00 C ATOM 623 CE LYS A 44 16.989 -1.506 1.676 1.00 0.00 C ATOM 624 NZ LYS A 44 17.844 -2.344 2.545 1.00 0.00 N ATOM 0 H LYS A 44 17.336 -3.504 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 44 16.097 -1.108 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.924 -1.596 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.027 -0.105 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.179 -1.655 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.475 -2.827 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.828 -1.254 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.662 0.029 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.636 -0.638 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.107 -2.070 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.301 -2.645 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.160 -3.182 2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.672 -1.795 2.851 1.00 0.00 H new ATOM 638 N ASN A 45 18.522 -1.499 -5.262 1.00 0.00 N ATOM 639 CA ASN A 45 19.097 -0.970 -6.487 1.00 0.00 C ATOM 640 C ASN A 45 19.336 0.532 -6.326 1.00 0.00 C ATOM 641 O ASN A 45 18.904 1.326 -7.160 1.00 0.00 O ATOM 642 CB ASN A 45 18.152 -1.174 -7.673 1.00 0.00 C ATOM 643 CG ASN A 45 18.414 -2.517 -8.358 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.310 -2.663 -9.174 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.585 -3.486 -7.983 1.00 0.00 N ATOM 0 H ASN A 45 18.881 -2.411 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 45 20.031 -1.498 -6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.118 -1.132 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.283 -0.364 -8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.677 -4.420 -8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.856 -3.296 -7.295 1.00 0.00 H new ATOM 652 N GLY A 46 20.024 0.877 -5.247 1.00 0.00 N ATOM 653 CA GLY A 46 20.326 2.271 -4.966 1.00 0.00 C ATOM 654 C GLY A 46 19.842 2.665 -3.569 1.00 0.00 C ATOM 655 O GLY A 46 19.703 1.813 -2.693 1.00 0.00 O ATOM 0 H GLY A 46 20.381 0.216 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.401 2.437 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.851 2.908 -5.713 1.00 0.00 H new ATOM 659 N ILE A 47 19.600 3.957 -3.404 1.00 0.00 N ATOM 660 CA ILE A 47 19.136 4.475 -2.128 1.00 0.00 C ATOM 661 C ILE A 47 17.655 4.842 -2.241 1.00 0.00 C ATOM 662 O ILE A 47 17.295 5.771 -2.962 1.00 0.00 O ATOM 663 CB ILE A 47 20.022 5.632 -1.665 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.371 5.119 -1.154 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.304 6.490 -0.622 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.178 4.049 -0.078 1.00 0.00 C ATOM 0 H ILE A 47 19.717 4.661 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 47 19.219 3.712 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 47 20.224 6.272 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.945 4.706 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.949 5.949 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.957 7.305 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.392 6.901 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.052 5.876 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.151 3.701 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.625 4.472 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.620 3.210 -0.495 1.00 0.00 H new ATOM 678 N LEU A 48 16.836 4.094 -1.516 1.00 0.00 N ATOM 679 CA LEU A 48 15.402 4.329 -1.525 1.00 0.00 C ATOM 680 C LEU A 48 15.124 5.777 -1.118 1.00 0.00 C ATOM 681 O LEU A 48 15.676 6.265 -0.133 1.00 0.00 O ATOM 682 CB LEU A 48 14.684 3.296 -0.654 1.00 0.00 C ATOM 683 CG LEU A 48 15.021 1.831 -0.935 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.334 0.907 0.073 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.680 1.457 -2.380 1.00 0.00 C ATOM 0 H LEU A 48 17.138 3.325 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 48 15.001 4.198 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.915 3.507 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.609 3.431 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 48 16.096 1.699 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.590 -0.129 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.668 1.155 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.254 1.036 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.929 0.410 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.615 1.610 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.253 2.084 -3.063 1.00 0.00 H new ATOM 697 N THR A 49 14.269 6.424 -1.896 1.00 0.00 N ATOM 698 CA THR A 49 13.912 7.806 -1.629 1.00 0.00 C ATOM 699 C THR A 49 12.554 7.880 -0.928 1.00 0.00 C ATOM 700 O THR A 49 12.213 8.901 -0.332 1.00 0.00 O ATOM 701 CB THR A 49 13.954 8.571 -2.954 1.00 0.00 C ATOM 702 OG1 THR A 49 13.337 7.685 -3.885 1.00 0.00 O ATOM 703 CG2 THR A 49 15.377 8.740 -3.487 1.00 0.00 C ATOM 0 H THR A 49 13.813 6.016 -2.712 1.00 0.00 H new ATOM 0 HA THR A 49 14.622 8.272 -0.946 1.00 0.00 H new ATOM 0 HB THR A 49 13.497 9.552 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.456 8.031 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.350 9.289 -4.428 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.974 9.293 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.823 7.759 -3.652 1.00 0.00 H new ATOM 711 N GLY A 50 11.815 6.784 -1.022 1.00 0.00 N ATOM 712 CA GLY A 50 10.502 6.712 -0.404 1.00 0.00 C ATOM 713 C GLY A 50 9.693 5.544 -0.971 1.00 0.00 C ATOM 714 O GLY A 50 10.161 4.832 -1.858 1.00 0.00 O ATOM 0 H GLY A 50 12.101 5.939 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.610 6.595 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.966 7.646 -0.571 1.00 0.00 H new ATOM 718 N TYR A 51 8.492 5.382 -0.435 1.00 0.00 N ATOM 719 CA TYR A 51 7.613 4.312 -0.877 1.00 0.00 C ATOM 720 C TYR A 51 6.248 4.862 -1.297 1.00 0.00 C ATOM 721 O TYR A 51 5.768 5.842 -0.729 1.00 0.00 O ATOM 722 CB TYR A 51 7.429 3.392 0.331 1.00 0.00 C ATOM 723 CG TYR A 51 8.740 2.857 0.911 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.426 1.855 0.257 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.236 3.377 2.089 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.660 1.352 0.803 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.470 2.874 2.635 1.00 0.00 C ATOM 728 CZ TYR A 51 11.121 1.886 1.965 1.00 0.00 C ATOM 729 OH TYR A 51 12.286 1.411 2.481 1.00 0.00 O ATOM 0 H TYR A 51 8.107 5.974 0.301 1.00 0.00 H new ATOM 0 HA TYR A 51 8.040 3.794 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.894 3.935 1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.801 2.549 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.038 1.448 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.699 4.161 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.207 0.568 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.869 3.273 3.556 1.00 0.00 H new ATOM 0 HH TYR A 51 12.493 1.886 3.313 1.00 0.00 H new ATOM 739 N ARG A 52 5.662 4.207 -2.288 1.00 0.00 N ATOM 740 CA ARG A 52 4.362 4.618 -2.791 1.00 0.00 C ATOM 741 C ARG A 52 3.295 3.592 -2.403 1.00 0.00 C ATOM 742 O ARG A 52 3.425 2.409 -2.713 1.00 0.00 O ATOM 743 CB ARG A 52 4.383 4.771 -4.313 1.00 0.00 C ATOM 744 CG ARG A 52 2.997 5.142 -4.846 1.00 0.00 C ATOM 745 CD ARG A 52 3.106 5.959 -6.134 1.00 0.00 C ATOM 746 NE ARG A 52 2.957 5.073 -7.310 1.00 0.00 N ATOM 747 CZ ARG A 52 3.250 5.436 -8.567 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.708 6.670 -8.818 1.00 0.00 N ATOM 749 NH2 ARG A 52 3.084 4.565 -9.571 1.00 0.00 N ATOM 0 H ARG A 52 6.063 3.395 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 52 4.123 5.583 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.103 5.540 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.715 3.840 -4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.421 4.236 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.455 5.714 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.337 6.731 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.069 6.468 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 52 2.610 4.127 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.834 7.333 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.931 6.947 -9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.735 3.626 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.307 4.841 -10.527 1.00 0.00 H new ATOM 763 N ILE A 53 2.263 4.083 -1.732 1.00 0.00 N ATOM 764 CA ILE A 53 1.174 3.224 -1.299 1.00 0.00 C ATOM 765 C ILE A 53 -0.098 3.597 -2.062 1.00 0.00 C ATOM 766 O ILE A 53 -0.342 4.772 -2.333 1.00 0.00 O ATOM 767 CB ILE A 53 1.019 3.281 0.222 1.00 0.00 C ATOM 768 CG1 ILE A 53 -0.253 2.559 0.671 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.065 4.725 0.724 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.247 2.325 2.183 1.00 0.00 C ATOM 0 H ILE A 53 2.158 5.065 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 53 1.393 2.183 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 53 1.863 2.757 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.127 3.149 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.336 1.604 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.953 4.737 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.021 5.174 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.255 5.294 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.162 1.810 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.615 1.715 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.189 3.283 2.699 1.00 0.00 H new ATOM 782 N SER A 54 -0.877 2.575 -2.386 1.00 0.00 N ATOM 783 CA SER A 54 -2.118 2.781 -3.113 1.00 0.00 C ATOM 784 C SER A 54 -3.116 1.674 -2.768 1.00 0.00 C ATOM 785 O SER A 54 -2.897 0.510 -3.101 1.00 0.00 O ATOM 786 CB SER A 54 -1.873 2.823 -4.622 1.00 0.00 C ATOM 787 OG SER A 54 -0.612 2.259 -4.974 1.00 0.00 O ATOM 0 H SER A 54 -0.673 1.602 -2.158 1.00 0.00 H new ATOM 0 HA SER A 54 -2.534 3.743 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.668 2.281 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.918 3.856 -4.968 1.00 0.00 H new ATOM 0 HG SER A 54 -0.494 2.303 -5.946 1.00 0.00 H new ATOM 793 N TRP A 55 -4.191 2.075 -2.104 1.00 0.00 N ATOM 794 CA TRP A 55 -5.223 1.131 -1.711 1.00 0.00 C ATOM 795 C TRP A 55 -6.402 1.292 -2.672 1.00 0.00 C ATOM 796 O TRP A 55 -7.001 2.363 -2.751 1.00 0.00 O ATOM 797 CB TRP A 55 -5.615 1.328 -0.245 1.00 0.00 C ATOM 798 CG TRP A 55 -6.212 2.703 0.060 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.473 3.115 -0.127 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.516 3.837 0.619 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.640 4.427 0.268 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.413 4.880 0.736 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.174 3.978 1.013 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.065 6.137 1.246 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.842 5.240 1.520 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.733 6.300 1.644 1.00 0.00 C ATOM 0 H TRP A 55 -4.369 3.041 -1.829 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.856 0.107 -1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.337 0.560 0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.734 1.179 0.379 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.260 2.498 -0.535 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.505 4.965 0.224 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.456 3.176 0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.785 6.937 1.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.822 5.401 1.837 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.399 7.245 2.046 1.00 0.00 H new ATOM 817 N GLU A 56 -6.700 0.212 -3.379 1.00 0.00 N ATOM 818 CA GLU A 56 -7.796 0.220 -4.332 1.00 0.00 C ATOM 819 C GLU A 56 -8.642 -1.046 -4.178 1.00 0.00 C ATOM 820 O GLU A 56 -8.104 -2.142 -4.030 1.00 0.00 O ATOM 821 CB GLU A 56 -7.277 0.361 -5.764 1.00 0.00 C ATOM 822 CG GLU A 56 -6.557 -0.911 -6.215 1.00 0.00 C ATOM 823 CD GLU A 56 -5.785 -0.673 -7.514 1.00 0.00 C ATOM 824 OE1 GLU A 56 -6.386 -0.070 -8.429 1.00 0.00 O ATOM 825 OE2 GLU A 56 -4.611 -1.100 -7.562 1.00 0.00 O ATOM 0 H GLU A 56 -6.201 -0.675 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.427 1.084 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.109 0.570 -6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.596 1.210 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.871 -1.241 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.282 -1.712 -6.360 1.00 0.00 H new ATOM 832 N GLU A 57 -9.952 -0.852 -4.218 1.00 0.00 N ATOM 833 CA GLU A 57 -10.878 -1.964 -4.085 1.00 0.00 C ATOM 834 C GLU A 57 -10.402 -3.154 -4.922 1.00 0.00 C ATOM 835 O GLU A 57 -9.505 -3.014 -5.751 1.00 0.00 O ATOM 836 CB GLU A 57 -12.296 -1.548 -4.480 1.00 0.00 C ATOM 837 CG GLU A 57 -13.139 -1.230 -3.243 1.00 0.00 C ATOM 838 CD GLU A 57 -14.612 -1.568 -3.482 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.857 -2.575 -4.181 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.460 -0.812 -2.961 1.00 0.00 O ATOM 0 H GLU A 57 -10.394 0.059 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.903 -2.267 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.255 -0.674 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.768 -2.348 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.766 -1.796 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.040 -0.174 -2.993 1.00 0.00 H new ATOM 847 N TYR A 58 -11.026 -4.296 -4.676 1.00 0.00 N ATOM 848 CA TYR A 58 -10.678 -5.509 -5.396 1.00 0.00 C ATOM 849 C TYR A 58 -10.490 -5.226 -6.888 1.00 0.00 C ATOM 850 O TYR A 58 -9.403 -5.423 -7.429 1.00 0.00 O ATOM 851 CB TYR A 58 -11.861 -6.462 -5.215 1.00 0.00 C ATOM 852 CG TYR A 58 -11.787 -7.719 -6.084 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.793 -8.651 -5.864 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.713 -7.921 -7.087 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.722 -9.835 -6.681 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.642 -9.105 -7.904 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.650 -10.003 -7.661 1.00 0.00 C ATOM 858 OH TYR A 58 -11.584 -11.121 -8.432 1.00 0.00 O ATOM 0 H TYR A 58 -11.771 -4.407 -3.988 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.745 -5.925 -5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.917 -6.760 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.783 -5.928 -5.445 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.068 -8.492 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.491 -7.192 -7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.950 -10.572 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.360 -9.276 -8.692 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.310 -11.108 -9.090 1.00 0.00 H new ATOM 868 N ASN A 59 -11.566 -4.768 -7.511 1.00 0.00 N ATOM 869 CA ASN A 59 -11.533 -4.455 -8.929 1.00 0.00 C ATOM 870 C ASN A 59 -12.270 -3.137 -9.174 1.00 0.00 C ATOM 871 O ASN A 59 -13.138 -3.059 -10.042 1.00 0.00 O ATOM 872 CB ASN A 59 -12.228 -5.544 -9.749 1.00 0.00 C ATOM 873 CG ASN A 59 -13.713 -5.635 -9.394 1.00 0.00 C ATOM 874 OD1 ASN A 59 -14.148 -5.235 -8.326 1.00 0.00 O ATOM 875 ND2 ASN A 59 -14.465 -6.183 -10.344 1.00 0.00 N ATOM 0 H ASN A 59 -12.466 -4.606 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.489 -4.384 -9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.117 -5.330 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.747 -6.505 -9.565 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.469 -6.289 -10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.037 -6.497 -11.215 1.00 0.00 H new ATOM 882 N ARG A 60 -11.896 -2.134 -8.394 1.00 0.00 N ATOM 883 CA ARG A 60 -12.510 -0.822 -8.515 1.00 0.00 C ATOM 884 C ARG A 60 -11.444 0.272 -8.440 1.00 0.00 C ATOM 885 O ARG A 60 -10.959 0.599 -7.358 1.00 0.00 O ATOM 886 CB ARG A 60 -13.544 -0.594 -7.410 1.00 0.00 C ATOM 887 CG ARG A 60 -14.967 -0.731 -7.954 1.00 0.00 C ATOM 888 CD ARG A 60 -15.999 -0.582 -6.834 1.00 0.00 C ATOM 889 NE ARG A 60 -17.295 -0.139 -7.395 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.594 1.137 -7.677 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.692 2.102 -7.453 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.795 1.447 -8.185 1.00 0.00 N ATOM 0 H ARG A 60 -11.175 -2.203 -7.675 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.012 -0.779 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.387 -1.313 -6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.409 0.399 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.142 0.026 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.084 -1.702 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -16.124 -1.532 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.647 0.140 -6.097 1.00 0.00 H new ATOM 0 HE ARG A 60 -18.005 -0.848 -7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.778 1.866 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.920 3.073 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -19.481 0.712 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.023 2.418 -8.400 1.00 0.00 H new ATOM 906 N THR A 61 -11.111 0.809 -9.604 1.00 0.00 N ATOM 907 CA THR A 61 -10.111 1.861 -9.685 1.00 0.00 C ATOM 908 C THR A 61 -10.707 3.198 -9.242 1.00 0.00 C ATOM 909 O THR A 61 -9.978 4.166 -9.028 1.00 0.00 O ATOM 910 CB THR A 61 -9.562 1.883 -11.113 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.740 0.721 -11.187 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.591 3.042 -11.349 1.00 0.00 C ATOM 0 H THR A 61 -11.516 0.536 -10.499 1.00 0.00 H new ATOM 0 HA THR A 61 -9.280 1.670 -9.006 1.00 0.00 H new ATOM 0 HB THR A 61 -10.390 1.953 -11.819 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.345 0.656 -12.081 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.231 3.011 -12.377 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.103 3.988 -11.172 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.746 2.954 -10.666 1.00 0.00 H new ATOM 920 N ASN A 62 -12.026 3.210 -9.117 1.00 0.00 N ATOM 921 CA ASN A 62 -12.728 4.413 -8.704 1.00 0.00 C ATOM 922 C ASN A 62 -12.398 4.713 -7.240 1.00 0.00 C ATOM 923 O ASN A 62 -12.623 5.825 -6.764 1.00 0.00 O ATOM 924 CB ASN A 62 -14.243 4.234 -8.820 1.00 0.00 C ATOM 925 CG ASN A 62 -14.700 4.364 -10.274 1.00 0.00 C ATOM 926 OD1 ASN A 62 -14.585 5.406 -10.898 1.00 0.00 O ATOM 927 ND2 ASN A 62 -15.224 3.250 -10.778 1.00 0.00 N ATOM 0 H ASN A 62 -12.627 2.405 -9.295 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.411 5.229 -9.354 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.528 3.256 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.749 4.980 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.559 3.234 -11.741 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.291 2.411 -10.201 1.00 0.00 H new ATOM 934 N THR A 63 -11.871 3.701 -6.566 1.00 0.00 N ATOM 935 CA THR A 63 -11.508 3.843 -5.166 1.00 0.00 C ATOM 936 C THR A 63 -9.998 3.676 -4.987 1.00 0.00 C ATOM 937 O THR A 63 -9.550 2.990 -4.069 1.00 0.00 O ATOM 938 CB THR A 63 -12.331 2.835 -4.360 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.688 1.587 -4.606 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.741 2.646 -4.924 1.00 0.00 C ATOM 0 H THR A 63 -11.687 2.780 -6.963 1.00 0.00 H new ATOM 0 HA THR A 63 -11.739 4.842 -4.797 1.00 0.00 H new ATOM 0 HB THR A 63 -12.396 3.166 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.679 1.408 -5.569 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.282 1.921 -4.316 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.270 3.599 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.677 2.283 -5.950 1.00 0.00 H new ATOM 948 N ARG A 64 -9.255 4.315 -5.878 1.00 0.00 N ATOM 949 CA ARG A 64 -7.804 4.246 -5.830 1.00 0.00 C ATOM 950 C ARG A 64 -7.229 5.546 -5.264 1.00 0.00 C ATOM 951 O ARG A 64 -7.804 6.617 -5.454 1.00 0.00 O ATOM 952 CB ARG A 64 -7.218 4.000 -7.221 1.00 0.00 C ATOM 953 CG ARG A 64 -5.790 3.458 -7.127 1.00 0.00 C ATOM 954 CD ARG A 64 -4.765 4.569 -7.370 1.00 0.00 C ATOM 955 NE ARG A 64 -3.408 3.989 -7.481 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.939 3.381 -8.579 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.714 3.269 -9.666 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.694 2.885 -8.590 1.00 0.00 N ATOM 0 H ARG A 64 -9.630 4.883 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.533 3.413 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.844 3.292 -7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.221 4.929 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.628 3.018 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.650 2.663 -7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.014 5.111 -8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.796 5.289 -6.552 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.791 4.056 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.661 3.647 -9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.357 2.806 -10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.104 2.970 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.337 2.422 -9.426 1.00 0.00 H new ATOM 972 N VAL A 65 -6.102 5.410 -4.582 1.00 0.00 N ATOM 973 CA VAL A 65 -5.443 6.561 -3.988 1.00 0.00 C ATOM 974 C VAL A 65 -3.939 6.476 -4.255 1.00 0.00 C ATOM 975 O VAL A 65 -3.392 5.385 -4.406 1.00 0.00 O ATOM 976 CB VAL A 65 -5.781 6.646 -2.498 1.00 0.00 C ATOM 977 CG1 VAL A 65 -5.116 5.510 -1.719 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.389 8.009 -1.924 1.00 0.00 C ATOM 0 H VAL A 65 -5.628 4.520 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.803 7.484 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.860 6.536 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.373 5.594 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.467 4.552 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.034 5.573 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.640 8.043 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.317 8.161 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.931 8.795 -2.450 1.00 0.00 H new ATOM 988 N THR A 66 -3.313 7.643 -4.306 1.00 0.00 N ATOM 989 CA THR A 66 -1.883 7.715 -4.553 1.00 0.00 C ATOM 990 C THR A 66 -1.200 8.575 -3.488 1.00 0.00 C ATOM 991 O THR A 66 -1.368 9.793 -3.467 1.00 0.00 O ATOM 992 CB THR A 66 -1.675 8.233 -5.977 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.075 7.144 -6.805 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.196 8.435 -6.316 1.00 0.00 C ATOM 0 H THR A 66 -3.770 8.546 -4.180 1.00 0.00 H new ATOM 0 HA THR A 66 -1.419 6.732 -4.478 1.00 0.00 H new ATOM 0 HB THR A 66 -2.208 9.175 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.974 7.395 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.104 8.803 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.239 9.160 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.331 7.486 -6.224 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.445 7.907 -2.628 1.00 0.00 N ATOM 1003 CA HIS A 67 0.263 8.594 -1.562 1.00 0.00 C ATOM 1004 C HIS A 67 1.760 8.292 -1.662 1.00 0.00 C ATOM 1005 O HIS A 67 2.164 7.365 -2.363 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.325 8.233 -0.197 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.708 8.788 0.043 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.635 8.491 0.999 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -2.272 9.767 -0.757 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.705 9.249 0.795 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -3.482 10.040 -0.293 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.308 6.896 -2.648 1.00 0.00 H new ATOM 0 HA HIS A 67 0.137 9.671 -1.673 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.359 7.148 -0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.343 8.599 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.805 10.229 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.605 9.241 1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.133 10.722 -0.681 1.00 0.00 H new ATOM 1019 N TYR A 68 2.541 9.092 -0.952 1.00 0.00 N ATOM 1020 CA TYR A 68 3.984 8.921 -0.952 1.00 0.00 C ATOM 1021 C TYR A 68 4.538 8.934 0.475 1.00 0.00 C ATOM 1022 O TYR A 68 4.056 9.681 1.325 1.00 0.00 O ATOM 1023 CB TYR A 68 4.551 10.119 -1.717 1.00 0.00 C ATOM 1024 CG TYR A 68 4.122 10.179 -3.184 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.486 9.169 -4.051 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.372 11.244 -3.641 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.083 9.226 -5.433 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.969 11.300 -5.022 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.344 10.288 -5.850 1.00 0.00 C ATOM 1030 OH TYR A 68 2.963 10.342 -7.154 1.00 0.00 O ATOM 0 H TYR A 68 2.202 9.860 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 68 4.257 7.968 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.237 11.037 -1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.639 10.086 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.073 8.336 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.088 12.035 -2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.362 8.443 -6.122 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.382 12.127 -5.392 1.00 0.00 H new ATOM 0 HH TYR A 68 2.440 11.156 -7.308 1.00 0.00 H new ATOM 1040 N LEU A 69 5.543 8.099 0.693 1.00 0.00 N ATOM 1041 CA LEU A 69 6.167 8.005 2.001 1.00 0.00 C ATOM 1042 C LEU A 69 7.688 8.054 1.841 1.00 0.00 C ATOM 1043 O LEU A 69 8.211 7.780 0.762 1.00 0.00 O ATOM 1044 CB LEU A 69 5.667 6.765 2.746 1.00 0.00 C ATOM 1045 CG LEU A 69 4.156 6.527 2.714 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.819 5.090 3.114 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.422 7.552 3.581 1.00 0.00 C ATOM 0 H LEU A 69 5.941 7.481 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 69 5.883 8.856 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.162 5.889 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.981 6.840 3.787 1.00 0.00 H new ATOM 0 HG LEU A 69 3.809 6.665 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.739 4.948 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.296 4.398 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.181 4.899 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.350 7.361 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.767 7.470 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.626 8.556 3.209 1.00 0.00 H new ATOM 1059 N PRO A 70 8.373 8.414 2.959 1.00 0.00 N ATOM 1060 CA PRO A 70 9.823 8.502 2.953 1.00 0.00 C ATOM 1061 C PRO A 70 10.457 7.110 2.971 1.00 0.00 C ATOM 1062 O PRO A 70 9.753 6.103 3.025 1.00 0.00 O ATOM 1063 CB PRO A 70 10.172 9.329 4.179 1.00 0.00 C ATOM 1064 CG PRO A 70 8.947 9.280 5.078 1.00 0.00 C ATOM 1065 CD PRO A 70 7.787 8.745 4.255 1.00 0.00 C ATOM 0 HA PRO A 70 10.212 8.970 2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.046 8.923 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.412 10.355 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.131 8.639 5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.716 10.273 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.341 7.868 4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.997 9.489 4.154 1.00 0.00 H new ATOM 1073 N ASN A 71 11.781 7.097 2.924 1.00 0.00 N ATOM 1074 CA ASN A 71 12.519 5.845 2.933 1.00 0.00 C ATOM 1075 C ASN A 71 12.794 5.432 4.381 1.00 0.00 C ATOM 1076 O ASN A 71 13.708 4.652 4.644 1.00 0.00 O ATOM 1077 CB ASN A 71 13.864 5.993 2.220 1.00 0.00 C ATOM 1078 CG ASN A 71 14.718 7.078 2.878 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.222 8.059 3.408 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.027 6.849 2.816 1.00 0.00 N ATOM 0 H ASN A 71 12.362 7.934 2.880 1.00 0.00 H new ATOM 0 HA ASN A 71 11.919 5.095 2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.397 5.043 2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.698 6.242 1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.681 7.515 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.376 6.008 2.357 1.00 0.00 H new ATOM 1087 N VAL A 72 11.986 5.973 5.281 1.00 0.00 N ATOM 1088 CA VAL A 72 12.131 5.670 6.694 1.00 0.00 C ATOM 1089 C VAL A 72 10.864 4.975 7.195 1.00 0.00 C ATOM 1090 O VAL A 72 10.899 4.253 8.190 1.00 0.00 O ATOM 1091 CB VAL A 72 12.460 6.946 7.472 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.731 7.605 6.931 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.283 7.923 7.447 1.00 0.00 C ATOM 0 H VAL A 72 11.229 6.619 5.059 1.00 0.00 H new ATOM 0 HA VAL A 72 12.963 4.984 6.854 1.00 0.00 H new ATOM 0 HB VAL A 72 12.642 6.668 8.510 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.943 8.510 7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.568 6.913 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.589 7.862 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.544 8.821 8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.055 8.192 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.410 7.453 7.900 1.00 0.00 H new ATOM 1103 N THR A 73 9.773 5.218 6.483 1.00 0.00 N ATOM 1104 CA THR A 73 8.497 4.625 6.843 1.00 0.00 C ATOM 1105 C THR A 73 8.197 3.420 5.948 1.00 0.00 C ATOM 1106 O THR A 73 8.474 3.449 4.750 1.00 0.00 O ATOM 1107 CB THR A 73 7.429 5.718 6.768 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.685 6.532 7.909 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.018 5.176 7.006 1.00 0.00 C ATOM 0 H THR A 73 9.747 5.818 5.658 1.00 0.00 H new ATOM 0 HA THR A 73 8.515 4.237 7.862 1.00 0.00 H new ATOM 0 HB THR A 73 7.472 6.201 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.038 7.268 7.938 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.299 5.993 6.942 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.784 4.426 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.965 4.723 7.996 1.00 0.00 H new ATOM 1117 N LEU A 74 7.636 2.390 6.564 1.00 0.00 N ATOM 1118 CA LEU A 74 7.296 1.179 5.838 1.00 0.00 C ATOM 1119 C LEU A 74 5.865 0.765 6.187 1.00 0.00 C ATOM 1120 O LEU A 74 5.415 -0.312 5.800 1.00 0.00 O ATOM 1121 CB LEU A 74 8.334 0.086 6.103 1.00 0.00 C ATOM 1122 CG LEU A 74 9.782 0.558 6.249 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.538 -0.299 7.267 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.487 0.592 4.892 1.00 0.00 C ATOM 0 H LEU A 74 7.408 2.369 7.558 1.00 0.00 H new ATOM 0 HA LEU A 74 7.323 1.359 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.051 -0.443 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.288 -0.636 5.288 1.00 0.00 H new ATOM 0 HG LEU A 74 9.772 1.579 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.565 0.058 7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.048 -0.228 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.541 -1.338 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.515 0.931 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.488 -0.408 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.962 1.277 4.226 1.00 0.00 H new ATOM 1136 N GLU A 75 5.190 1.643 6.914 1.00 0.00 N ATOM 1137 CA GLU A 75 3.819 1.382 7.319 1.00 0.00 C ATOM 1138 C GLU A 75 2.987 2.664 7.232 1.00 0.00 C ATOM 1139 O GLU A 75 3.510 3.761 7.419 1.00 0.00 O ATOM 1140 CB GLU A 75 3.767 0.789 8.728 1.00 0.00 C ATOM 1141 CG GLU A 75 4.036 1.862 9.785 1.00 0.00 C ATOM 1142 CD GLU A 75 5.306 1.545 10.577 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.210 0.927 9.976 1.00 0.00 O ATOM 1144 OE2 GLU A 75 5.343 1.929 11.767 1.00 0.00 O ATOM 0 H GLU A 75 5.567 2.536 7.233 1.00 0.00 H new ATOM 0 HA GLU A 75 3.392 0.648 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.789 0.340 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.505 -0.008 8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.137 2.835 9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.186 1.929 10.465 1.00 0.00 H new ATOM 1151 N TYR A 76 1.706 2.481 6.948 1.00 0.00 N ATOM 1152 CA TYR A 76 0.797 3.609 6.835 1.00 0.00 C ATOM 1153 C TYR A 76 -0.652 3.170 7.058 1.00 0.00 C ATOM 1154 O TYR A 76 -1.020 2.043 6.731 1.00 0.00 O ATOM 1155 CB TYR A 76 0.945 4.128 5.403 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.111 5.160 5.003 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.339 4.745 4.531 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.166 6.508 5.114 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.332 5.717 4.154 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.828 7.480 4.737 1.00 0.00 C ATOM 1161 CZ TYR A 76 -2.027 7.036 4.276 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.966 7.954 3.920 1.00 0.00 O ATOM 0 H TYR A 76 1.276 1.569 6.793 1.00 0.00 H new ATOM 0 HA TYR A 76 1.032 4.368 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.934 4.572 5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.893 3.285 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.556 3.691 4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.127 6.833 5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.297 5.405 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.625 8.538 4.819 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.859 8.181 2.973 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.434 4.084 7.614 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.834 3.805 7.885 1.00 0.00 C ATOM 1174 C ARG A 77 -3.712 4.351 6.757 1.00 0.00 C ATOM 1175 O ARG A 77 -3.530 5.486 6.318 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.274 4.429 9.211 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.532 3.746 9.748 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.795 4.425 9.215 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.316 5.383 10.215 1.00 0.00 N ATOM 1180 CZ ARG A 77 -6.788 5.029 11.419 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -6.807 3.739 11.779 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -7.241 5.967 12.263 1.00 0.00 N ATOM 0 H ARG A 77 -1.125 5.018 7.884 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.950 2.723 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.470 4.344 9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.465 5.493 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.531 2.695 9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.530 3.777 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.573 4.945 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.553 3.675 8.989 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.316 6.374 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.462 3.025 11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.166 3.470 12.695 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.226 6.949 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.600 5.698 13.179 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.645 3.518 6.320 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.551 3.903 5.252 1.00 0.00 C ATOM 1198 C VAL A 78 -6.920 4.239 5.846 1.00 0.00 C ATOM 1199 O VAL A 78 -7.325 3.655 6.850 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.614 2.798 4.195 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -5.006 1.497 4.725 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -7.050 2.576 3.717 1.00 0.00 C ATOM 0 H VAL A 78 -4.793 2.578 6.686 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.187 4.798 4.747 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.022 3.121 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.063 0.728 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.963 1.665 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.558 1.170 5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.066 1.786 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.674 2.286 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.435 3.498 3.281 1.00 0.00 H new ATOM 1212 N THR A 79 -7.595 5.179 5.201 1.00 0.00 N ATOM 1213 CA THR A 79 -8.910 5.600 5.654 1.00 0.00 C ATOM 1214 C THR A 79 -9.791 5.973 4.460 1.00 0.00 C ATOM 1215 O THR A 79 -9.305 6.527 3.475 1.00 0.00 O ATOM 1216 CB THR A 79 -8.722 6.745 6.652 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.733 7.573 6.047 1.00 0.00 O ATOM 1218 CG2 THR A 79 -8.074 6.283 7.958 1.00 0.00 C ATOM 0 H THR A 79 -7.256 5.661 4.368 1.00 0.00 H new ATOM 0 HA THR A 79 -9.432 4.789 6.162 1.00 0.00 H new ATOM 0 HB THR A 79 -9.688 7.200 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.551 8.342 6.627 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.964 7.134 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.703 5.528 8.429 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.093 5.858 7.747 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.071 5.655 4.587 1.00 0.00 N ATOM 1227 CA GLY A 80 -12.024 5.950 3.531 1.00 0.00 C ATOM 1228 C GLY A 80 -12.487 4.667 2.837 1.00 0.00 C ATOM 1229 O GLY A 80 -13.402 4.697 2.015 1.00 0.00 O ATOM 0 H GLY A 80 -11.470 5.196 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.884 6.473 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.568 6.619 2.801 1.00 0.00 H new ATOM 1233 N LEU A 81 -11.834 3.571 3.192 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.167 2.280 2.614 1.00 0.00 C ATOM 1235 C LEU A 81 -13.664 2.019 2.790 1.00 0.00 C ATOM 1236 O LEU A 81 -14.404 2.899 3.227 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.277 1.184 3.203 1.00 0.00 C ATOM 1238 CG LEU A 81 -9.846 1.120 2.665 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -8.960 0.258 3.567 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.827 0.638 1.213 1.00 0.00 C ATOM 0 H LEU A 81 -11.075 3.550 3.873 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.967 2.278 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.232 1.322 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.755 0.221 3.024 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.432 2.128 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.948 0.229 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.938 0.684 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.362 -0.754 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.798 0.602 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.267 -0.358 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.402 1.326 0.594 1.00 0.00 H new ATOM 1252 N THR A 82 -14.065 0.805 2.441 1.00 0.00 N ATOM 1253 CA THR A 82 -15.461 0.417 2.555 1.00 0.00 C ATOM 1254 C THR A 82 -15.617 -0.718 3.570 1.00 0.00 C ATOM 1255 O THR A 82 -14.782 -1.619 3.633 1.00 0.00 O ATOM 1256 CB THR A 82 -15.966 0.055 1.157 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.609 1.179 0.357 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.494 0.014 1.080 1.00 0.00 C ATOM 0 H THR A 82 -13.448 0.078 2.079 1.00 0.00 H new ATOM 0 HA THR A 82 -16.070 1.237 2.935 1.00 0.00 H new ATOM 0 HB THR A 82 -15.561 -0.914 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.657 1.129 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.800 -0.247 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.874 -0.732 1.778 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.898 0.992 1.340 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.693 -0.636 4.339 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.970 -1.644 5.348 1.00 0.00 C ATOM 1268 C ALA A 83 -17.189 -2.996 4.665 1.00 0.00 C ATOM 1269 O ALA A 83 -17.828 -3.070 3.617 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.175 -1.212 6.185 1.00 0.00 C ATOM 0 H ALA A 83 -17.383 0.113 4.283 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.124 -1.750 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.382 -1.969 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.958 -0.261 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.045 -1.098 5.538 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.646 -4.032 5.287 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.774 -5.377 4.753 1.00 0.00 C ATOM 1278 C LEU A 84 -16.609 -5.335 3.232 1.00 0.00 C ATOM 1279 O LEU A 84 -17.526 -5.694 2.495 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.087 -6.014 5.212 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.325 -6.045 6.723 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.486 -6.977 7.076 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.043 -6.417 7.472 1.00 0.00 C ATOM 0 H LEU A 84 -16.116 -3.967 6.156 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.983 -6.018 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.912 -5.475 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.122 -7.037 4.838 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.607 -5.043 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.634 -6.981 8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.395 -6.628 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.257 -7.988 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.239 -6.432 8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.707 -7.403 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.268 -5.681 7.255 1.00 0.00 H new ATOM 1295 N THR A 85 -15.435 -4.892 2.808 1.00 0.00 N ATOM 1296 CA THR A 85 -15.139 -4.798 1.389 1.00 0.00 C ATOM 1297 C THR A 85 -13.716 -5.285 1.107 1.00 0.00 C ATOM 1298 O THR A 85 -12.836 -5.168 1.959 1.00 0.00 O ATOM 1299 CB THR A 85 -15.385 -3.354 0.949 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.804 -3.223 0.966 1.00 0.00 O ATOM 1301 CG2 THR A 85 -15.006 -3.114 -0.514 1.00 0.00 C ATOM 0 H THR A 85 -14.677 -4.594 3.422 1.00 0.00 H new ATOM 0 HA THR A 85 -15.792 -5.447 0.805 1.00 0.00 H new ATOM 0 HB THR A 85 -14.815 -2.679 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.108 -3.079 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.200 -2.074 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.947 -3.332 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.600 -3.765 -1.155 1.00 0.00 H new ATOM 1309 N THR A 86 -13.533 -5.819 -0.091 1.00 0.00 N ATOM 1310 CA THR A 86 -12.232 -6.324 -0.495 1.00 0.00 C ATOM 1311 C THR A 86 -11.414 -5.215 -1.161 1.00 0.00 C ATOM 1312 O THR A 86 -11.902 -4.534 -2.061 1.00 0.00 O ATOM 1313 CB THR A 86 -12.455 -7.539 -1.397 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.282 -8.401 -0.620 1.00 0.00 O ATOM 1315 CG2 THR A 86 -11.176 -8.349 -1.616 1.00 0.00 C ATOM 0 H THR A 86 -14.264 -5.913 -0.796 1.00 0.00 H new ATOM 0 HA THR A 86 -11.647 -6.645 0.367 1.00 0.00 H new ATOM 0 HB THR A 86 -12.845 -7.209 -2.360 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.478 -9.214 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.390 -9.200 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.421 -7.718 -2.085 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.804 -8.708 -0.656 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.183 -5.070 -0.693 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.292 -4.056 -1.232 1.00 0.00 C ATOM 1325 C TYR A 87 -7.878 -4.610 -1.416 1.00 0.00 C ATOM 1326 O TYR A 87 -7.516 -5.614 -0.804 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.256 -2.932 -0.195 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.401 -1.926 -0.327 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -10.253 -0.815 -1.132 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -11.581 -2.130 0.359 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -11.331 0.132 -1.256 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -12.659 -1.183 0.235 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.480 -0.099 -0.567 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.498 0.796 -0.684 1.00 0.00 O ATOM 0 H TYR A 87 -9.781 -5.638 0.053 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.643 -3.715 -2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.285 -3.371 0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.308 -2.401 -0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.329 -0.656 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.696 -3.000 0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.229 1.006 -1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.588 -1.330 0.766 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.333 1.380 -1.454 1.00 0.00 H new ATOM 1344 N THR A 88 -7.116 -3.932 -2.262 1.00 0.00 N ATOM 1345 CA THR A 88 -5.750 -4.344 -2.534 1.00 0.00 C ATOM 1346 C THR A 88 -4.791 -3.167 -2.347 1.00 0.00 C ATOM 1347 O THR A 88 -4.782 -2.236 -3.150 1.00 0.00 O ATOM 1348 CB THR A 88 -5.708 -4.945 -3.940 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.575 -6.346 -3.716 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.436 -4.567 -4.701 1.00 0.00 C ATOM 0 H THR A 88 -7.419 -3.100 -2.768 1.00 0.00 H new ATOM 0 HA THR A 88 -5.419 -5.107 -1.829 1.00 0.00 H new ATOM 0 HB THR A 88 -6.580 -4.612 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.542 -6.813 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.457 -5.019 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.379 -3.483 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.565 -4.929 -4.156 1.00 0.00 H new ATOM 1358 N ILE A 89 -4.006 -3.248 -1.282 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.045 -2.200 -0.980 1.00 0.00 C ATOM 1360 C ILE A 89 -1.741 -2.479 -1.729 1.00 0.00 C ATOM 1361 O ILE A 89 -1.120 -3.523 -1.534 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.867 -2.057 0.533 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.188 -2.300 1.266 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.256 -0.700 0.888 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.327 -1.508 0.621 1.00 0.00 C ATOM 0 H ILE A 89 -4.016 -4.022 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.412 -1.234 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.167 -2.823 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.426 -3.364 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.086 -2.011 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.140 -0.625 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.280 -0.604 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.911 0.097 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.254 -1.699 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.097 -0.443 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.442 -1.817 -0.418 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.364 -1.528 -2.571 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.145 -1.658 -3.350 1.00 0.00 C ATOM 1379 C GLU A 90 0.961 -0.784 -2.755 1.00 0.00 C ATOM 1380 O GLU A 90 0.824 0.437 -2.690 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.393 -1.306 -4.818 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.700 -1.924 -5.317 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.721 -0.839 -5.666 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.454 -0.099 -6.637 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.746 -0.774 -4.953 1.00 0.00 O ATOM 0 H GLU A 90 -1.882 -0.664 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 90 0.180 -2.698 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.431 -0.223 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.438 -1.663 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.504 -2.540 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.111 -2.582 -4.552 1.00 0.00 H new ATOM 1392 N VAL A 91 2.031 -1.442 -2.337 1.00 0.00 N ATOM 1393 CA VAL A 91 3.160 -0.740 -1.750 1.00 0.00 C ATOM 1394 C VAL A 91 4.378 -0.888 -2.664 1.00 0.00 C ATOM 1395 O VAL A 91 4.904 -1.988 -2.830 1.00 0.00 O ATOM 1396 CB VAL A 91 3.413 -1.251 -0.330 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.676 -0.622 0.262 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.201 -0.995 0.568 1.00 0.00 C ATOM 0 H VAL A 91 2.141 -2.455 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 91 2.945 0.325 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 91 3.569 -2.328 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.833 -1.002 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.535 -0.877 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.561 0.461 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.407 -1.367 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.001 0.076 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.331 -1.510 0.161 1.00 0.00 H new ATOM 1408 N ALA A 92 4.792 0.235 -3.232 1.00 0.00 N ATOM 1409 CA ALA A 92 5.938 0.244 -4.125 1.00 0.00 C ATOM 1410 C ALA A 92 7.076 1.036 -3.478 1.00 0.00 C ATOM 1411 O ALA A 92 6.850 1.807 -2.546 1.00 0.00 O ATOM 1412 CB ALA A 92 5.525 0.819 -5.481 1.00 0.00 C ATOM 0 H ALA A 92 4.354 1.145 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 92 6.298 -0.770 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.385 0.826 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.735 0.204 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.161 1.838 -5.348 1.00 0.00 H new ATOM 1418 N ALA A 93 8.275 0.819 -3.997 1.00 0.00 N ATOM 1419 CA ALA A 93 9.449 1.503 -3.482 1.00 0.00 C ATOM 1420 C ALA A 93 9.926 2.532 -4.509 1.00 0.00 C ATOM 1421 O ALA A 93 9.771 2.332 -5.712 1.00 0.00 O ATOM 1422 CB ALA A 93 10.531 0.475 -3.142 1.00 0.00 C ATOM 0 H ALA A 93 8.459 0.179 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 93 9.208 2.040 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.412 0.988 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.153 -0.215 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.800 -0.081 -4.040 1.00 0.00 H new ATOM 1428 N MET A 94 10.496 3.612 -3.995 1.00 0.00 N ATOM 1429 CA MET A 94 10.996 4.674 -4.852 1.00 0.00 C ATOM 1430 C MET A 94 12.466 4.975 -4.551 1.00 0.00 C ATOM 1431 O MET A 94 12.868 5.025 -3.389 1.00 0.00 O ATOM 1432 CB MET A 94 10.162 5.938 -4.639 1.00 0.00 C ATOM 1433 CG MET A 94 8.666 5.629 -4.723 1.00 0.00 C ATOM 1434 SD MET A 94 7.744 6.803 -3.745 1.00 0.00 S ATOM 1435 CE MET A 94 7.324 7.994 -5.006 1.00 0.00 C ATOM 0 H MET A 94 10.623 3.775 -2.996 1.00 0.00 H new ATOM 0 HA MET A 94 10.916 4.346 -5.889 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.393 6.371 -3.666 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.426 6.683 -5.390 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.336 5.669 -5.761 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.475 4.617 -4.367 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.103 8.954 -4.540 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.163 8.108 -5.692 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.449 7.648 -5.557 1.00 0.00 H new ATOM 1445 N THR A 95 13.228 5.167 -5.617 1.00 0.00 N ATOM 1446 CA THR A 95 14.644 5.462 -5.482 1.00 0.00 C ATOM 1447 C THR A 95 14.969 6.818 -6.111 1.00 0.00 C ATOM 1448 O THR A 95 14.069 7.607 -6.394 1.00 0.00 O ATOM 1449 CB THR A 95 15.430 4.303 -6.098 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.688 3.963 -7.267 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.374 3.037 -5.241 1.00 0.00 C ATOM 0 H THR A 95 12.891 5.124 -6.579 1.00 0.00 H new ATOM 0 HA THR A 95 14.931 5.548 -4.434 1.00 0.00 H new ATOM 0 HB THR A 95 16.469 4.602 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.262 3.466 -7.886 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.948 2.245 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.797 3.244 -4.258 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.338 2.718 -5.130 1.00 0.00 H new ATOM 1459 N SER A 96 16.259 7.048 -6.311 1.00 0.00 N ATOM 1460 CA SER A 96 16.714 8.295 -6.901 1.00 0.00 C ATOM 1461 C SER A 96 16.479 8.275 -8.413 1.00 0.00 C ATOM 1462 O SER A 96 16.818 9.230 -9.110 1.00 0.00 O ATOM 1463 CB SER A 96 18.193 8.541 -6.598 1.00 0.00 C ATOM 1464 OG SER A 96 19.033 7.569 -7.214 1.00 0.00 O ATOM 0 H SER A 96 17.003 6.391 -6.075 1.00 0.00 H new ATOM 0 HA SER A 96 16.140 9.110 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.474 9.535 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.350 8.524 -5.519 1.00 0.00 H new ATOM 0 HG SER A 96 19.969 7.762 -6.998 1.00 0.00 H new ATOM 1470 N LYS A 97 15.899 7.177 -8.875 1.00 0.00 N ATOM 1471 CA LYS A 97 15.615 7.020 -10.291 1.00 0.00 C ATOM 1472 C LYS A 97 14.103 7.087 -10.514 1.00 0.00 C ATOM 1473 O LYS A 97 13.639 7.711 -11.467 1.00 0.00 O ATOM 1474 CB LYS A 97 16.260 5.741 -10.829 1.00 0.00 C ATOM 1475 CG LYS A 97 15.202 4.785 -11.383 1.00 0.00 C ATOM 1476 CD LYS A 97 14.704 5.251 -12.752 1.00 0.00 C ATOM 1477 CE LYS A 97 13.175 5.235 -12.815 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.708 4.248 -13.814 1.00 0.00 N ATOM 0 H LYS A 97 15.618 6.387 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 97 16.058 7.837 -10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.975 5.992 -11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.819 5.249 -10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.621 3.782 -11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.364 4.723 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.069 6.258 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.110 4.605 -13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.767 4.990 -11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.805 6.227 -13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.670 4.189 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.011 4.545 -14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.114 3.316 -13.597 1.00 0.00 H new ATOM 1492 N GLY A 98 13.376 6.435 -9.618 1.00 0.00 N ATOM 1493 CA GLY A 98 11.925 6.413 -9.705 1.00 0.00 C ATOM 1494 C GLY A 98 11.342 5.287 -8.849 1.00 0.00 C ATOM 1495 O GLY A 98 11.975 4.835 -7.895 1.00 0.00 O ATOM 0 H GLY A 98 13.764 5.918 -8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.523 7.371 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.621 6.280 -10.743 1.00 0.00 H new ATOM 1499 N GLN A 99 10.142 4.866 -9.219 1.00 0.00 N ATOM 1500 CA GLN A 99 9.467 3.801 -8.497 1.00 0.00 C ATOM 1501 C GLN A 99 9.690 2.459 -9.198 1.00 0.00 C ATOM 1502 O GLN A 99 9.745 2.397 -10.425 1.00 0.00 O ATOM 1503 CB GLN A 99 7.973 4.100 -8.349 1.00 0.00 C ATOM 1504 CG GLN A 99 7.281 3.030 -7.504 1.00 0.00 C ATOM 1505 CD GLN A 99 6.054 2.469 -8.227 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.915 2.620 -7.557 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 6.137 1.934 -9.320 1.00 0.00 N flip ATOM 0 H GLN A 99 9.619 5.243 -10.010 1.00 0.00 H new ATOM 0 HA GLN A 99 9.894 3.741 -7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.838 5.078 -7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.509 4.147 -9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.981 2.223 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.980 3.456 -6.547 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.044 1.851 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.300 1.570 -9.774 1.00 0.00 H new ATOM 1516 N GLY A 100 9.813 1.418 -8.388 1.00 0.00 N ATOM 1517 CA GLY A 100 10.030 0.081 -8.914 1.00 0.00 C ATOM 1518 C GLY A 100 8.778 -0.782 -8.750 1.00 0.00 C ATOM 1519 O GLY A 100 7.662 -0.265 -8.717 1.00 0.00 O ATOM 0 H GLY A 100 9.766 1.473 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.300 0.140 -9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.868 -0.386 -8.397 1.00 0.00 H new ATOM 1523 N GLN A 101 9.004 -2.084 -8.650 1.00 0.00 N ATOM 1524 CA GLN A 101 7.908 -3.024 -8.490 1.00 0.00 C ATOM 1525 C GLN A 101 6.951 -2.542 -7.398 1.00 0.00 C ATOM 1526 O GLN A 101 7.223 -1.551 -6.722 1.00 0.00 O ATOM 1527 CB GLN A 101 8.432 -4.428 -8.179 1.00 0.00 C ATOM 1528 CG GLN A 101 7.722 -5.479 -9.035 1.00 0.00 C ATOM 1529 CD GLN A 101 8.725 -6.468 -9.633 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.916 -6.215 -9.708 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.178 -7.606 -10.051 1.00 0.00 N ATOM 0 H GLN A 101 9.930 -2.510 -8.677 1.00 0.00 H new ATOM 0 HA GLN A 101 7.359 -3.076 -9.430 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.506 -4.469 -8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.281 -4.651 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.994 -6.017 -8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.169 -4.988 -9.835 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.173 -7.753 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.764 -8.332 -10.464 1.00 0.00 H new ATOM 1540 N VAL A 102 5.850 -3.266 -7.259 1.00 0.00 N ATOM 1541 CA VAL A 102 4.851 -2.924 -6.261 1.00 0.00 C ATOM 1542 C VAL A 102 4.267 -4.209 -5.670 1.00 0.00 C ATOM 1543 O VAL A 102 4.063 -5.189 -6.385 1.00 0.00 O ATOM 1544 CB VAL A 102 3.787 -2.012 -6.876 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.597 -2.826 -7.389 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.333 -0.948 -5.876 1.00 0.00 C ATOM 0 H VAL A 102 5.628 -4.088 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 102 5.305 -2.366 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 102 4.235 -1.501 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.856 -2.154 -7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.937 -3.528 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.149 -3.377 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.577 -0.313 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.911 -1.433 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.187 -0.338 -5.580 1.00 0.00 H new ATOM 1556 N SER A 103 4.015 -4.163 -4.370 1.00 0.00 N ATOM 1557 CA SER A 103 3.459 -5.311 -3.674 1.00 0.00 C ATOM 1558 C SER A 103 1.989 -5.056 -3.335 1.00 0.00 C ATOM 1559 O SER A 103 1.683 -4.344 -2.380 1.00 0.00 O ATOM 1560 CB SER A 103 4.251 -5.620 -2.402 1.00 0.00 C ATOM 1561 OG SER A 103 5.365 -6.470 -2.660 1.00 0.00 O ATOM 0 H SER A 103 4.186 -3.348 -3.780 1.00 0.00 H new ATOM 0 HA SER A 103 3.528 -6.177 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.601 -4.688 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.595 -6.094 -1.672 1.00 0.00 H new ATOM 0 HG SER A 103 5.846 -6.642 -1.824 1.00 0.00 H new ATOM 1567 N ALA A 104 1.118 -5.652 -4.137 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.312 -5.498 -3.934 1.00 0.00 C ATOM 1569 C ALA A 104 -0.857 -6.735 -3.216 1.00 0.00 C ATOM 1570 O ALA A 104 -0.768 -7.847 -3.734 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.996 -5.258 -5.281 1.00 0.00 C ATOM 0 H ALA A 104 1.376 -6.242 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.519 -4.633 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.069 -5.142 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.595 -4.353 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.812 -6.108 -5.939 1.00 0.00 H new ATOM 1577 N SER A 105 -1.409 -6.499 -2.035 1.00 0.00 N ATOM 1578 CA SER A 105 -1.968 -7.579 -1.241 1.00 0.00 C ATOM 1579 C SER A 105 -3.459 -7.336 -1.002 1.00 0.00 C ATOM 1580 O SER A 105 -3.855 -6.250 -0.582 1.00 0.00 O ATOM 1581 CB SER A 105 -1.233 -7.719 0.094 1.00 0.00 C ATOM 1582 OG SER A 105 -0.450 -8.909 0.150 1.00 0.00 O ATOM 0 H SER A 105 -1.481 -5.575 -1.609 1.00 0.00 H new ATOM 0 HA SER A 105 -1.842 -8.510 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.588 -6.853 0.245 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.958 -7.723 0.908 1.00 0.00 H new ATOM 0 HG SER A 105 0.005 -8.961 1.017 1.00 0.00 H new ATOM 1588 N THR A 106 -4.246 -8.365 -1.281 1.00 0.00 N ATOM 1589 CA THR A 106 -5.685 -8.277 -1.102 1.00 0.00 C ATOM 1590 C THR A 106 -6.047 -8.395 0.380 1.00 0.00 C ATOM 1591 O THR A 106 -5.568 -9.294 1.070 1.00 0.00 O ATOM 1592 CB THR A 106 -6.337 -9.352 -1.974 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.421 -9.528 -3.051 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.618 -8.860 -2.651 1.00 0.00 C ATOM 0 H THR A 106 -3.914 -9.264 -1.630 1.00 0.00 H new ATOM 0 HA THR A 106 -6.064 -7.306 -1.420 1.00 0.00 H new ATOM 0 HB THR A 106 -6.562 -10.227 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.270 -8.668 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.040 -9.661 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.340 -8.562 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.388 -8.006 -3.288 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.888 -7.475 0.826 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.320 -7.464 2.214 1.00 0.00 C ATOM 1604 C ILE A 107 -8.754 -6.939 2.294 1.00 0.00 C ATOM 1605 O ILE A 107 -9.068 -5.891 1.730 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.328 -6.681 3.077 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.808 -6.602 4.528 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.062 -5.295 2.485 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.707 -7.966 5.213 1.00 0.00 C ATOM 0 H ILE A 107 -7.283 -6.731 0.251 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.329 -8.476 2.618 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.379 -7.217 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.210 -5.872 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.840 -6.253 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.354 -4.759 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.646 -5.401 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.996 -4.736 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.054 -7.883 6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.325 -8.688 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.670 -8.301 5.206 1.00 0.00 H new ATOM 1621 N SER A 108 -9.587 -7.689 2.999 1.00 0.00 N ATOM 1622 CA SER A 108 -10.981 -7.312 3.160 1.00 0.00 C ATOM 1623 C SER A 108 -11.170 -6.555 4.476 1.00 0.00 C ATOM 1624 O SER A 108 -10.888 -7.088 5.549 1.00 0.00 O ATOM 1625 CB SER A 108 -11.892 -8.541 3.119 1.00 0.00 C ATOM 1626 OG SER A 108 -13.135 -8.306 3.776 1.00 0.00 O ATOM 0 H SER A 108 -9.323 -8.557 3.466 1.00 0.00 H new ATOM 0 HA SER A 108 -11.257 -6.661 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.077 -8.821 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.386 -9.383 3.591 1.00 0.00 H new ATOM 0 HG SER A 108 -13.689 -9.113 3.727 1.00 0.00 H new ATOM 1632 N SER A 109 -11.645 -5.325 4.351 1.00 0.00 N ATOM 1633 CA SER A 109 -11.874 -4.489 5.517 1.00 0.00 C ATOM 1634 C SER A 109 -12.386 -5.342 6.680 1.00 0.00 C ATOM 1635 O SER A 109 -13.006 -6.382 6.465 1.00 0.00 O ATOM 1636 CB SER A 109 -12.867 -3.368 5.205 1.00 0.00 C ATOM 1637 OG SER A 109 -14.175 -3.870 4.946 1.00 0.00 O ATOM 0 H SER A 109 -11.878 -4.887 3.460 1.00 0.00 H new ATOM 0 HA SER A 109 -10.927 -4.030 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.905 -2.673 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.517 -2.804 4.340 1.00 0.00 H new ATOM 0 HG SER A 109 -14.715 -3.172 4.519 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.107 -4.870 7.886 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.531 -5.576 9.083 1.00 0.00 C ATOM 1645 C GLY A 110 -14.055 -5.558 9.219 1.00 0.00 C ATOM 1646 O GLY A 110 -14.741 -6.421 8.672 1.00 0.00 O ATOM 0 H GLY A 110 -11.592 -4.007 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.178 -6.606 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.078 -5.115 9.961 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.540 -4.566 9.951 1.00 0.00 N ATOM 1651 CA VAL A 111 -15.970 -4.425 10.166 1.00 0.00 C ATOM 1652 C VAL A 111 -16.237 -3.147 10.964 1.00 0.00 C ATOM 1653 O VAL A 111 -15.474 -2.801 11.864 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.524 -5.679 10.844 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.810 -5.946 12.170 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.036 -5.570 11.048 1.00 0.00 C ATOM 0 H VAL A 111 -13.968 -3.852 10.403 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.492 -4.330 9.214 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.335 -6.527 10.185 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.223 -6.843 12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.745 -6.089 11.987 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.953 -5.096 12.838 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.404 -6.475 11.532 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.257 -4.707 11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.526 -5.450 10.082 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.352 -2.461 10.594 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.730 -1.229 11.265 1.00 0.00 C ATOM 1668 C PRO A 112 -18.322 -1.516 12.647 1.00 0.00 C ATOM 1669 O PRO A 112 -19.260 -2.300 12.773 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.716 -0.555 10.325 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.208 -1.645 9.386 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.280 -2.840 9.532 1.00 0.00 C ATOM 0 HA PRO A 112 -16.878 -0.578 11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.544 -0.113 10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.238 0.252 9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.233 -1.925 9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.212 -1.288 8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.834 -3.742 9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.753 -3.048 8.601 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.733 -0.847 13.674 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.192 -1.022 15.042 1.00 0.00 C ATOM 1682 C PRO A 113 -19.513 -0.287 15.275 1.00 0.00 C ATOM 1683 O PRO A 113 -20.160 -0.477 16.304 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.059 -0.496 15.907 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.210 0.377 14.997 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.619 0.090 13.562 1.00 0.00 C ATOM 0 HA PRO A 113 -18.409 -2.063 15.283 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.445 0.078 16.750 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.472 -1.315 16.322 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.358 1.431 15.233 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.151 0.163 15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -16.919 1.002 13.046 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.795 -0.341 12.994 1.00 0.00 H new