USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=35 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= -0.196 USER MOD Set 1.2: A 106 THR OG1 : rot -56:sc= 0.0656 USER MOD Set 2.1: A 82 THR OG1 : rot 104:sc= 0.906 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0.191 USER MOD Set 3.1: A 27 SER OG : rot 170:sc= 1.01 USER MOD Set 3.2: A 35 LYS NZ :NH3+ 157:sc= 1.3 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.0258 F(o=-1.3,f=-0.026) USER MOD Single : A 25 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= -0.639 USER MOD Single : A 37 SER OG : rot 170:sc= -1.3 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -2.12! (180deg=-4.83!) USER MOD Single : A 45 ASN : amide:sc= 1.51 K(o=1.5,f=-0.19) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 51 TYR OH : rot 152:sc= -3.7! USER MOD Single : A 54 SER OG : rot 180:sc= -0.956 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.545 K(o=-0.54,f=-2.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0626 K(o=-0.063,f=-0.68) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.983 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 67 HIS : +bothHN:sc= -16! C(o=-16!,f=-39!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.865 K(o=-0.87,f=-5.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 77:sc= 0.601 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -149:sc= -0.269 (180deg=-1.88!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 4:sc= 1.01 USER MOD Single : A 97 LYS NZ :NH3+ 158:sc= -0.0941 (180deg=-0.428) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.58 F(o=-4.9,f=-1.6) USER MOD Single : A 101 GLN : amide:sc= -0.0518 X(o=-0.052,f=-0.26) 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 -167:sc= 0.0854 USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.152 -0.723 -13.439 1.00 0.00 N ATOM 203 CA ASP A 16 16.945 0.038 -12.489 1.00 0.00 C ATOM 204 C ASP A 16 16.198 0.117 -11.156 1.00 0.00 C ATOM 205 O ASP A 16 16.725 -0.285 -10.120 1.00 0.00 O ATOM 206 CB ASP A 16 17.178 1.467 -12.985 1.00 0.00 C ATOM 207 CG ASP A 16 18.359 2.192 -12.337 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.434 2.152 -11.090 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.161 2.768 -13.103 1.00 0.00 O ATOM 0 HA ASP A 16 17.905 -0.465 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.335 1.440 -14.063 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.273 2.049 -12.809 1.00 0.00 H new ATOM 214 N VAL A 17 14.982 0.637 -11.225 1.00 0.00 N ATOM 215 CA VAL A 17 14.157 0.774 -10.037 1.00 0.00 C ATOM 216 C VAL A 17 14.257 -0.505 -9.202 1.00 0.00 C ATOM 217 O VAL A 17 14.729 -1.532 -9.688 1.00 0.00 O ATOM 218 CB VAL A 17 12.720 1.118 -10.434 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.561 2.621 -10.670 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.286 0.321 -11.666 1.00 0.00 C ATOM 0 H VAL A 17 14.548 0.969 -12.086 1.00 0.00 H new ATOM 0 HA VAL A 17 14.514 1.596 -9.417 1.00 0.00 H new ATOM 0 HB VAL A 17 12.068 0.838 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.530 2.838 -10.951 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.810 3.161 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.229 2.936 -11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.261 0.584 -11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.945 0.556 -12.502 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.342 -0.745 -11.448 1.00 0.00 H new ATOM 230 N PRO A 18 13.793 -0.397 -7.928 1.00 0.00 N ATOM 231 CA PRO A 18 13.826 -1.532 -7.022 1.00 0.00 C ATOM 232 C PRO A 18 12.733 -2.544 -7.371 1.00 0.00 C ATOM 233 O PRO A 18 11.977 -2.344 -8.320 1.00 0.00 O ATOM 234 CB PRO A 18 13.659 -0.933 -5.635 1.00 0.00 C ATOM 235 CG PRO A 18 13.077 0.455 -5.848 1.00 0.00 C ATOM 236 CD PRO A 18 13.228 0.803 -7.319 1.00 0.00 C ATOM 0 HA PRO A 18 14.756 -2.096 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.996 -1.545 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.615 -0.880 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.027 0.477 -5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.596 1.186 -5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.267 1.059 -7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.883 1.663 -7.457 1.00 0.00 H new ATOM 244 N GLY A 19 12.684 -3.609 -6.584 1.00 0.00 N ATOM 245 CA GLY A 19 11.696 -4.653 -6.798 1.00 0.00 C ATOM 246 C GLY A 19 10.555 -4.543 -5.786 1.00 0.00 C ATOM 247 O GLY A 19 10.245 -3.452 -5.309 1.00 0.00 O ATOM 0 H GLY A 19 13.313 -3.771 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.298 -4.580 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.170 -5.631 -6.712 1.00 0.00 H new ATOM 251 N PRO A 20 9.943 -5.719 -5.479 1.00 0.00 N ATOM 252 CA PRO A 20 8.842 -5.765 -4.532 1.00 0.00 C ATOM 253 C PRO A 20 9.348 -5.613 -3.096 1.00 0.00 C ATOM 254 O PRO A 20 10.284 -6.299 -2.688 1.00 0.00 O ATOM 255 CB PRO A 20 8.162 -7.101 -4.785 1.00 0.00 C ATOM 256 CG PRO A 20 9.176 -7.950 -5.534 1.00 0.00 C ATOM 257 CD PRO A 20 10.283 -7.030 -6.024 1.00 0.00 C ATOM 0 HA PRO A 20 8.138 -4.944 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.872 -7.575 -3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.252 -6.971 -5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.583 -8.723 -4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.702 -8.458 -6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.260 -7.364 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.326 -7.007 -7.113 1.00 0.00 H new ATOM 265 N VAL A 21 8.705 -4.712 -2.369 1.00 0.00 N ATOM 266 CA VAL A 21 9.078 -4.461 -0.987 1.00 0.00 C ATOM 267 C VAL A 21 9.013 -5.772 -0.200 1.00 0.00 C ATOM 268 O VAL A 21 8.806 -6.838 -0.779 1.00 0.00 O ATOM 269 CB VAL A 21 8.189 -3.365 -0.395 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.685 -1.977 -0.804 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.727 -3.566 -0.800 1.00 0.00 C ATOM 0 H VAL A 21 7.928 -4.146 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 21 10.103 -4.096 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 21 8.248 -3.436 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.036 -1.216 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.704 -1.834 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.669 -1.891 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.117 -2.774 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.643 -3.535 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.378 -4.533 -0.436 1.00 0.00 H new ATOM 281 N GLY A 22 9.195 -5.651 1.107 1.00 0.00 N ATOM 282 CA GLY A 22 9.160 -6.813 1.978 1.00 0.00 C ATOM 283 C GLY A 22 7.802 -7.513 1.904 1.00 0.00 C ATOM 284 O GLY A 22 7.207 -7.610 0.832 1.00 0.00 O ATOM 0 H GLY A 22 9.367 -4.766 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.948 -7.510 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.361 -6.508 3.005 1.00 0.00 H new ATOM 288 N HIS A 23 7.351 -7.983 3.058 1.00 0.00 N ATOM 289 CA HIS A 23 6.074 -8.672 3.137 1.00 0.00 C ATOM 290 C HIS A 23 5.019 -7.731 3.723 1.00 0.00 C ATOM 291 O HIS A 23 5.031 -7.446 4.919 1.00 0.00 O ATOM 292 CB HIS A 23 6.208 -9.976 3.926 1.00 0.00 C ATOM 293 CG HIS A 23 7.618 -10.512 3.990 1.00 0.00 C ATOM 294 ND1 HIS A 23 8.733 -10.016 4.598 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 7.999 -11.694 3.379 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 9.741 -10.850 4.372 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 9.288 -11.891 3.616 1.00 0.00 N flip ATOM 0 H HIS A 23 7.847 -7.900 3.945 1.00 0.00 H new ATOM 0 HA HIS A 23 5.746 -8.953 2.136 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.845 -9.814 4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.564 -10.730 3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.355 -12.345 2.806 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.753 -10.725 4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.844 -12.682 3.290 1.00 0.00 H new ATOM 305 N LEU A 24 4.131 -7.274 2.852 1.00 0.00 N ATOM 306 CA LEU A 24 3.071 -6.371 3.268 1.00 0.00 C ATOM 307 C LEU A 24 2.339 -6.971 4.470 1.00 0.00 C ATOM 308 O LEU A 24 2.245 -8.190 4.599 1.00 0.00 O ATOM 309 CB LEU A 24 2.152 -6.045 2.089 1.00 0.00 C ATOM 310 CG LEU A 24 2.195 -4.600 1.585 1.00 0.00 C ATOM 311 CD1 LEU A 24 3.291 -4.419 0.534 1.00 0.00 C ATOM 312 CD2 LEU A 24 0.825 -4.160 1.067 1.00 0.00 C ATOM 0 H LEU A 24 4.124 -7.512 1.860 1.00 0.00 H new ATOM 0 HA LEU A 24 3.488 -5.417 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.408 -6.706 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.127 -6.278 2.377 1.00 0.00 H new ATOM 0 HG LEU A 24 2.445 -3.952 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.300 -3.384 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.259 -4.666 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.096 -5.078 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.883 -3.130 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.522 -4.808 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.093 -4.228 1.872 1.00 0.00 H new ATOM 324 N SER A 25 1.838 -6.085 5.319 1.00 0.00 N ATOM 325 CA SER A 25 1.117 -6.511 6.507 1.00 0.00 C ATOM 326 C SER A 25 -0.039 -5.550 6.790 1.00 0.00 C ATOM 327 O SER A 25 0.019 -4.378 6.421 1.00 0.00 O ATOM 328 CB SER A 25 2.049 -6.592 7.718 1.00 0.00 C ATOM 329 OG SER A 25 1.589 -7.533 8.684 1.00 0.00 O ATOM 0 H SER A 25 1.917 -5.074 5.208 1.00 0.00 H new ATOM 0 HA SER A 25 0.716 -7.508 6.324 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.049 -6.872 7.387 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.129 -5.608 8.180 1.00 0.00 H new ATOM 0 HG SER A 25 2.212 -7.556 9.440 1.00 0.00 H new ATOM 335 N PHE A 26 -1.062 -6.083 7.442 1.00 0.00 N ATOM 336 CA PHE A 26 -2.230 -5.287 7.779 1.00 0.00 C ATOM 337 C PHE A 26 -2.652 -5.520 9.231 1.00 0.00 C ATOM 338 O PHE A 26 -2.881 -6.657 9.640 1.00 0.00 O ATOM 339 CB PHE A 26 -3.361 -5.738 6.853 1.00 0.00 C ATOM 340 CG PHE A 26 -3.079 -5.506 5.367 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.354 -4.425 4.973 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.554 -6.380 4.440 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.092 -4.209 3.594 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.293 -6.165 3.061 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.567 -5.084 2.667 1.00 0.00 C ATOM 0 H PHE A 26 -1.106 -7.056 7.746 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.005 -4.227 7.660 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.548 -6.799 7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.273 -5.208 7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.977 -3.730 5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.130 -7.238 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.516 -3.351 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.671 -6.859 2.325 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.368 -4.921 1.618 1.00 0.00 H new ATOM 355 N SER A 27 -2.743 -4.424 9.970 1.00 0.00 N ATOM 356 CA SER A 27 -3.133 -4.495 11.368 1.00 0.00 C ATOM 357 C SER A 27 -4.190 -3.430 11.671 1.00 0.00 C ATOM 358 O SER A 27 -4.521 -2.616 10.810 1.00 0.00 O ATOM 359 CB SER A 27 -1.923 -4.318 12.288 1.00 0.00 C ATOM 360 OG SER A 27 -1.490 -2.961 12.344 1.00 0.00 O ATOM 0 H SER A 27 -2.553 -3.482 9.627 1.00 0.00 H new ATOM 0 HA SER A 27 -3.556 -5.482 11.555 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.177 -4.659 13.291 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.104 -4.946 11.936 1.00 0.00 H new ATOM 0 HG SER A 27 -0.826 -2.859 13.057 1.00 0.00 H new ATOM 366 N GLU A 28 -4.691 -3.471 12.897 1.00 0.00 N ATOM 367 CA GLU A 28 -5.703 -2.520 13.323 1.00 0.00 C ATOM 368 C GLU A 28 -6.705 -2.270 12.195 1.00 0.00 C ATOM 369 O GLU A 28 -6.913 -1.128 11.786 1.00 0.00 O ATOM 370 CB GLU A 28 -5.064 -1.210 13.789 1.00 0.00 C ATOM 371 CG GLU A 28 -4.271 -1.417 15.082 1.00 0.00 C ATOM 372 CD GLU A 28 -4.843 -0.565 16.217 1.00 0.00 C ATOM 373 OE1 GLU A 28 -5.956 -0.905 16.675 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.155 0.405 16.602 1.00 0.00 O ATOM 0 H GLU A 28 -4.415 -4.148 13.608 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.239 -2.946 14.171 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.404 -0.826 13.011 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.839 -0.460 13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.296 -2.470 15.364 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.226 -1.156 14.918 1.00 0.00 H new ATOM 381 N ILE A 29 -7.301 -3.355 11.723 1.00 0.00 N ATOM 382 CA ILE A 29 -8.276 -3.268 10.650 1.00 0.00 C ATOM 383 C ILE A 29 -9.671 -3.077 11.249 1.00 0.00 C ATOM 384 O ILE A 29 -10.042 -3.765 12.199 1.00 0.00 O ATOM 385 CB ILE A 29 -8.165 -4.481 9.725 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.705 -4.764 9.365 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.038 -4.304 8.481 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.605 -5.541 8.051 1.00 0.00 C ATOM 0 H ILE A 29 -7.127 -4.300 12.065 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.076 -2.399 10.023 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.540 -5.354 10.260 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.159 -3.824 9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.233 -5.334 10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.941 -5.180 7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.079 -4.188 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.717 -3.417 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.557 -5.729 7.818 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.131 -6.491 8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.056 -4.958 7.248 1.00 0.00 H new ATOM 400 N LEU A 30 -10.406 -2.140 10.669 1.00 0.00 N ATOM 401 CA LEU A 30 -11.752 -1.850 11.134 1.00 0.00 C ATOM 402 C LEU A 30 -12.755 -2.209 10.035 1.00 0.00 C ATOM 403 O LEU A 30 -12.807 -3.353 9.588 1.00 0.00 O ATOM 404 CB LEU A 30 -11.854 -0.399 11.609 1.00 0.00 C ATOM 405 CG LEU A 30 -11.046 -0.044 12.859 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.390 -0.982 14.018 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.547 -0.031 12.558 1.00 0.00 C ATOM 0 H LEU A 30 -10.095 -1.572 9.881 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.996 -2.463 12.002 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.533 0.252 10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.903 -0.174 11.802 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.320 0.965 13.168 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.802 -0.708 14.894 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.451 -0.897 14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.162 -2.009 13.735 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.996 0.224 13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.237 -1.017 12.210 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.337 0.709 11.785 1.00 0.00 H new ATOM 419 N ASP A 31 -13.526 -1.210 9.632 1.00 0.00 N ATOM 420 CA ASP A 31 -14.524 -1.406 8.595 1.00 0.00 C ATOM 421 C ASP A 31 -14.109 -0.633 7.341 1.00 0.00 C ATOM 422 O ASP A 31 -14.418 -1.043 6.224 1.00 0.00 O ATOM 423 CB ASP A 31 -15.892 -0.885 9.041 1.00 0.00 C ATOM 424 CG ASP A 31 -15.958 0.622 9.294 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.950 1.157 9.804 1.00 0.00 O ATOM 426 OD2 ASP A 31 -17.016 1.206 8.973 1.00 0.00 O ATOM 0 H ASP A 31 -13.480 -0.262 10.005 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.594 -2.475 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.628 -1.143 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.182 -1.405 9.954 1.00 0.00 H new ATOM 431 N THR A 32 -13.416 0.473 7.570 1.00 0.00 N ATOM 432 CA THR A 32 -12.956 1.307 6.473 1.00 0.00 C ATOM 433 C THR A 32 -11.601 1.934 6.811 1.00 0.00 C ATOM 434 O THR A 32 -11.189 2.907 6.181 1.00 0.00 O ATOM 435 CB THR A 32 -14.045 2.340 6.174 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.153 3.089 7.382 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.426 1.702 6.007 1.00 0.00 C ATOM 0 H THR A 32 -13.162 0.811 8.498 1.00 0.00 H new ATOM 0 HA THR A 32 -12.791 0.717 5.571 1.00 0.00 H new ATOM 0 HB THR A 32 -13.786 2.889 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.837 3.783 7.277 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.162 2.478 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.401 0.992 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.700 1.182 6.925 1.00 0.00 H new ATOM 445 N SER A 33 -10.947 1.350 7.804 1.00 0.00 N ATOM 446 CA SER A 33 -9.647 1.838 8.233 1.00 0.00 C ATOM 447 C SER A 33 -8.749 0.663 8.623 1.00 0.00 C ATOM 448 O SER A 33 -9.168 -0.225 9.363 1.00 0.00 O ATOM 449 CB SER A 33 -9.785 2.812 9.405 1.00 0.00 C ATOM 450 OG SER A 33 -10.753 2.373 10.353 1.00 0.00 O ATOM 0 H SER A 33 -11.293 0.543 8.324 1.00 0.00 H new ATOM 0 HA SER A 33 -9.191 2.374 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.820 2.924 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.067 3.795 9.028 1.00 0.00 H new ATOM 0 HG SER A 33 -10.810 3.021 11.086 1.00 0.00 H new ATOM 456 N LEU A 34 -7.529 0.695 8.106 1.00 0.00 N ATOM 457 CA LEU A 34 -6.568 -0.357 8.390 1.00 0.00 C ATOM 458 C LEU A 34 -5.151 0.194 8.220 1.00 0.00 C ATOM 459 O LEU A 34 -4.925 1.098 7.418 1.00 0.00 O ATOM 460 CB LEU A 34 -6.855 -1.592 7.534 1.00 0.00 C ATOM 461 CG LEU A 34 -6.638 -1.428 6.028 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.147 -1.444 5.684 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.418 -2.485 5.244 1.00 0.00 C ATOM 0 H LEU A 34 -7.184 1.433 7.492 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.660 -0.688 9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.224 -2.408 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.889 -1.894 7.702 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.027 -0.454 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.021 -1.326 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.646 -0.625 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.711 -2.392 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.247 -2.346 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.082 -3.479 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.482 -2.384 5.457 1.00 0.00 H new ATOM 475 N LYS A 35 -4.233 -0.376 8.987 1.00 0.00 N ATOM 476 CA LYS A 35 -2.844 0.047 8.931 1.00 0.00 C ATOM 477 C LYS A 35 -2.075 -0.868 7.976 1.00 0.00 C ATOM 478 O LYS A 35 -2.206 -2.089 8.040 1.00 0.00 O ATOM 479 CB LYS A 35 -2.245 0.108 10.338 1.00 0.00 C ATOM 480 CG LYS A 35 -0.989 0.982 10.362 1.00 0.00 C ATOM 481 CD LYS A 35 0.151 0.281 11.103 1.00 0.00 C ATOM 482 CE LYS A 35 0.749 -0.842 10.254 1.00 0.00 C ATOM 483 NZ LYS A 35 0.602 -2.145 10.940 1.00 0.00 N ATOM 0 H LYS A 35 -4.424 -1.127 9.650 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.770 1.059 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.983 0.506 11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.999 -0.898 10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.680 1.209 9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.212 1.933 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.927 1.005 11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.219 -0.127 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.252 -0.877 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.803 -0.641 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.639 -2.912 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.374 -2.265 11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.311 -2.174 11.438 1.00 0.00 H new ATOM 497 N VAL A 36 -1.291 -0.242 7.111 1.00 0.00 N ATOM 498 CA VAL A 36 -0.501 -0.984 6.143 1.00 0.00 C ATOM 499 C VAL A 36 0.973 -0.936 6.550 1.00 0.00 C ATOM 500 O VAL A 36 1.436 0.060 7.104 1.00 0.00 O ATOM 501 CB VAL A 36 -0.751 -0.439 4.735 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.229 -1.047 3.730 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.199 -0.678 4.304 1.00 0.00 C ATOM 0 H VAL A 36 -1.186 0.771 7.060 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.800 -2.032 6.129 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.582 0.638 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.030 -0.643 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.250 -0.802 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.107 -2.130 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.350 -0.281 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.408 -1.748 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.873 -0.175 4.998 1.00 0.00 H new ATOM 513 N SER A 37 1.670 -2.025 6.259 1.00 0.00 N ATOM 514 CA SER A 37 3.082 -2.119 6.587 1.00 0.00 C ATOM 515 C SER A 37 3.829 -2.861 5.477 1.00 0.00 C ATOM 516 O SER A 37 3.209 -3.443 4.588 1.00 0.00 O ATOM 517 CB SER A 37 3.289 -2.824 7.929 1.00 0.00 C ATOM 518 OG SER A 37 3.728 -4.170 7.763 1.00 0.00 O ATOM 0 H SER A 37 1.283 -2.849 5.800 1.00 0.00 H new ATOM 0 HA SER A 37 3.482 -1.108 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.022 -2.274 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.355 -2.814 8.492 1.00 0.00 H new ATOM 0 HG SER A 37 4.002 -4.534 8.631 1.00 0.00 H new ATOM 524 N TRP A 38 5.150 -2.817 5.564 1.00 0.00 N ATOM 525 CA TRP A 38 5.988 -3.478 4.578 1.00 0.00 C ATOM 526 C TRP A 38 7.448 -3.297 5.001 1.00 0.00 C ATOM 527 O TRP A 38 7.754 -2.451 5.840 1.00 0.00 O ATOM 528 CB TRP A 38 5.703 -2.947 3.172 1.00 0.00 C ATOM 529 CG TRP A 38 5.973 -1.450 3.005 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.141 -0.847 2.745 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.003 -0.386 3.096 1.00 0.00 C ATOM 532 NE1 TRP A 38 6.996 0.523 2.663 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.654 0.812 2.883 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.621 -0.433 3.350 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.004 2.052 2.903 1.00 0.00 C ATOM 536 CZ3 TRP A 38 2.986 0.814 3.366 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.627 2.029 3.154 1.00 0.00 C ATOM 0 H TRP A 38 5.661 -2.334 6.303 1.00 0.00 H new ATOM 0 HA TRP A 38 5.767 -4.545 4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.313 -3.498 2.456 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.661 -3.148 2.923 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.078 -1.368 2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.737 1.199 2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.091 -1.359 3.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.536 2.976 2.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.923 0.834 3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.065 2.951 3.183 1.00 0.00 H new ATOM 548 N GLN A 39 8.309 -4.105 4.400 1.00 0.00 N ATOM 549 CA GLN A 39 9.728 -4.044 4.703 1.00 0.00 C ATOM 550 C GLN A 39 10.510 -3.538 3.489 1.00 0.00 C ATOM 551 O GLN A 39 9.926 -3.265 2.441 1.00 0.00 O ATOM 552 CB GLN A 39 10.250 -5.408 5.161 1.00 0.00 C ATOM 553 CG GLN A 39 10.586 -5.393 6.653 1.00 0.00 C ATOM 554 CD GLN A 39 11.565 -6.515 7.006 1.00 0.00 C ATOM 555 OE1 GLN A 39 11.514 -7.610 6.469 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.457 -6.183 7.935 1.00 0.00 N ATOM 0 H GLN A 39 8.051 -4.805 3.705 1.00 0.00 H new ATOM 0 HA GLN A 39 9.874 -3.341 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.501 -6.174 4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.138 -5.673 4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.019 -4.430 6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.672 -5.506 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.444 -5.249 8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.154 -6.863 8.239 1.00 0.00 H new ATOM 565 N GLU A 40 11.817 -3.428 3.670 1.00 0.00 N ATOM 566 CA GLU A 40 12.684 -2.959 2.602 1.00 0.00 C ATOM 567 C GLU A 40 13.000 -4.102 1.635 1.00 0.00 C ATOM 568 O GLU A 40 13.289 -5.219 2.062 1.00 0.00 O ATOM 569 CB GLU A 40 13.968 -2.348 3.167 1.00 0.00 C ATOM 570 CG GLU A 40 13.945 -0.823 3.052 1.00 0.00 C ATOM 571 CD GLU A 40 15.074 -0.194 3.872 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.698 -0.948 4.650 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.288 1.026 3.702 1.00 0.00 O ATOM 0 H GLU A 40 12.298 -3.656 4.540 1.00 0.00 H new ATOM 0 HA GLU A 40 12.160 -2.177 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.083 -2.636 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.830 -2.744 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.045 -0.532 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.984 -0.443 3.398 1.00 0.00 H new ATOM 580 N PRO A 41 12.934 -3.775 0.317 1.00 0.00 N ATOM 581 CA PRO A 41 13.209 -4.761 -0.714 1.00 0.00 C ATOM 582 C PRO A 41 14.711 -5.035 -0.823 1.00 0.00 C ATOM 583 O PRO A 41 15.527 -4.159 -0.541 1.00 0.00 O ATOM 584 CB PRO A 41 12.619 -4.175 -1.986 1.00 0.00 C ATOM 585 CG PRO A 41 12.448 -2.688 -1.721 1.00 0.00 C ATOM 586 CD PRO A 41 12.595 -2.462 -0.225 1.00 0.00 C ATOM 0 HA PRO A 41 12.766 -5.733 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.278 -4.347 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.663 -4.642 -2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.195 -2.114 -2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.471 -2.349 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.375 -1.731 -0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.672 -2.080 0.210 1.00 0.00 H new ATOM 594 N GLY A 42 15.029 -6.254 -1.232 1.00 0.00 N ATOM 595 CA GLY A 42 16.417 -6.655 -1.382 1.00 0.00 C ATOM 596 C GLY A 42 16.986 -6.173 -2.718 1.00 0.00 C ATOM 597 O GLY A 42 18.182 -6.306 -2.971 1.00 0.00 O ATOM 0 H GLY A 42 14.349 -6.978 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.008 -6.246 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.494 -7.740 -1.320 1.00 0.00 H new ATOM 601 N GLU A 43 16.102 -5.624 -3.537 1.00 0.00 N ATOM 602 CA GLU A 43 16.501 -5.122 -4.841 1.00 0.00 C ATOM 603 C GLU A 43 16.526 -3.592 -4.836 1.00 0.00 C ATOM 604 O GLU A 43 16.192 -2.959 -5.836 1.00 0.00 O ATOM 605 CB GLU A 43 15.576 -5.651 -5.939 1.00 0.00 C ATOM 606 CG GLU A 43 16.085 -6.985 -6.489 1.00 0.00 C ATOM 607 CD GLU A 43 17.510 -6.847 -7.030 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.632 -6.487 -8.221 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.444 -7.105 -6.241 1.00 0.00 O ATOM 0 H GLU A 43 15.111 -5.516 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 43 17.507 -5.482 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.569 -5.778 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.510 -4.922 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.062 -7.739 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.423 -7.332 -7.282 1.00 0.00 H new ATOM 616 N LYS A 44 16.924 -3.042 -3.698 1.00 0.00 N ATOM 617 CA LYS A 44 16.997 -1.599 -3.549 1.00 0.00 C ATOM 618 C LYS A 44 17.545 -0.984 -4.839 1.00 0.00 C ATOM 619 O LYS A 44 17.144 0.111 -5.228 1.00 0.00 O ATOM 620 CB LYS A 44 17.801 -1.228 -2.301 1.00 0.00 C ATOM 621 CG LYS A 44 17.079 -1.680 -1.030 1.00 0.00 C ATOM 622 CD LYS A 44 17.652 -0.980 0.204 1.00 0.00 C ATOM 623 CE LYS A 44 16.693 -1.088 1.391 1.00 0.00 C ATOM 624 NZ LYS A 44 17.402 -0.804 2.658 1.00 0.00 N ATOM 0 H LYS A 44 17.199 -3.570 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 44 16.002 -1.182 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.787 -1.691 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.957 -0.150 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.014 -1.462 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.175 -2.760 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.612 -1.425 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.839 0.070 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.868 -0.387 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.260 -2.088 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.968 -1.351 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.402 -1.072 2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.335 0.211 2.874 1.00 0.00 H new ATOM 638 N ASN A 45 18.454 -1.717 -5.466 1.00 0.00 N ATOM 639 CA ASN A 45 19.061 -1.258 -6.703 1.00 0.00 C ATOM 640 C ASN A 45 19.328 0.246 -6.608 1.00 0.00 C ATOM 641 O ASN A 45 19.072 0.986 -7.557 1.00 0.00 O ATOM 642 CB ASN A 45 18.133 -1.499 -7.895 1.00 0.00 C ATOM 643 CG ASN A 45 18.453 -2.831 -8.578 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.372 -2.945 -9.372 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.645 -3.827 -8.227 1.00 0.00 N ATOM 0 H ASN A 45 18.784 -2.625 -5.140 1.00 0.00 H new ATOM 0 HA ASN A 45 19.988 -1.813 -6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.096 -1.498 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.237 -0.684 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.776 -4.755 -8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.895 -3.663 -7.556 1.00 0.00 H new ATOM 652 N GLY A 46 19.838 0.652 -5.455 1.00 0.00 N ATOM 653 CA GLY A 46 20.142 2.054 -5.224 1.00 0.00 C ATOM 654 C GLY A 46 19.715 2.484 -3.819 1.00 0.00 C ATOM 655 O GLY A 46 19.510 1.643 -2.945 1.00 0.00 O ATOM 0 H GLY A 46 20.048 0.035 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.211 2.223 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.632 2.667 -5.967 1.00 0.00 H new ATOM 659 N ILE A 47 19.594 3.792 -3.646 1.00 0.00 N ATOM 660 CA ILE A 47 19.195 4.343 -2.362 1.00 0.00 C ATOM 661 C ILE A 47 17.725 4.763 -2.427 1.00 0.00 C ATOM 662 O ILE A 47 17.375 5.703 -3.139 1.00 0.00 O ATOM 663 CB ILE A 47 20.140 5.472 -1.947 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.493 4.917 -1.497 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.499 6.358 -0.877 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.317 3.864 -0.402 1.00 0.00 C ATOM 0 H ILE A 47 19.765 4.486 -4.373 1.00 0.00 H new ATOM 0 HA ILE A 47 19.276 3.587 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 47 20.324 6.101 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.011 4.477 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.119 5.730 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.192 7.153 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.582 6.797 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.266 5.757 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.294 3.486 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.820 4.313 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.711 3.041 -0.782 1.00 0.00 H new ATOM 678 N LEU A 48 16.904 4.046 -1.673 1.00 0.00 N ATOM 679 CA LEU A 48 15.480 4.333 -1.636 1.00 0.00 C ATOM 680 C LEU A 48 15.266 5.763 -1.136 1.00 0.00 C ATOM 681 O LEU A 48 15.969 6.223 -0.239 1.00 0.00 O ATOM 682 CB LEU A 48 14.742 3.276 -0.812 1.00 0.00 C ATOM 683 CG LEU A 48 15.059 1.818 -1.151 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.362 0.865 -0.179 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.711 1.507 -2.608 1.00 0.00 C ATOM 0 H LEU A 48 17.198 3.267 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 48 15.053 4.278 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.970 3.441 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.670 3.432 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 48 16.132 1.666 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.604 -0.165 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.701 1.069 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.283 1.010 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.946 0.465 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.648 1.681 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.291 2.153 -3.267 1.00 0.00 H new ATOM 697 N THR A 49 14.290 6.426 -1.740 1.00 0.00 N ATOM 698 CA THR A 49 13.974 7.795 -1.367 1.00 0.00 C ATOM 699 C THR A 49 12.596 7.862 -0.705 1.00 0.00 C ATOM 700 O THR A 49 12.274 8.840 -0.032 1.00 0.00 O ATOM 701 CB THR A 49 14.088 8.664 -2.621 1.00 0.00 C ATOM 702 OG1 THR A 49 13.295 7.984 -3.589 1.00 0.00 O ATOM 703 CG2 THR A 49 15.498 8.650 -3.216 1.00 0.00 C ATOM 0 H THR A 49 13.708 6.041 -2.484 1.00 0.00 H new ATOM 0 HA THR A 49 14.676 8.175 -0.625 1.00 0.00 H new ATOM 0 HB THR A 49 13.806 9.689 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.313 8.481 -4.434 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.525 9.282 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.207 9.028 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.768 7.630 -3.489 1.00 0.00 H new ATOM 711 N GLY A 50 11.820 6.810 -0.919 1.00 0.00 N ATOM 712 CA GLY A 50 10.484 6.738 -0.351 1.00 0.00 C ATOM 713 C GLY A 50 9.729 5.516 -0.879 1.00 0.00 C ATOM 714 O GLY A 50 10.323 4.636 -1.501 1.00 0.00 O ATOM 0 H GLY A 50 12.090 6.001 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.549 6.688 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.931 7.645 -0.596 1.00 0.00 H new ATOM 718 N TYR A 51 8.431 5.502 -0.613 1.00 0.00 N ATOM 719 CA TYR A 51 7.589 4.403 -1.053 1.00 0.00 C ATOM 720 C TYR A 51 6.210 4.907 -1.482 1.00 0.00 C ATOM 721 O TYR A 51 5.620 5.754 -0.814 1.00 0.00 O ATOM 722 CB TYR A 51 7.429 3.482 0.158 1.00 0.00 C ATOM 723 CG TYR A 51 8.694 2.699 0.516 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.044 1.582 -0.214 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.485 3.111 1.570 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.234 0.845 0.123 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.675 2.374 1.907 1.00 0.00 C ATOM 728 CZ TYR A 51 10.991 1.278 1.168 1.00 0.00 C ATOM 729 OH TYR A 51 12.115 0.582 1.486 1.00 0.00 O ATOM 0 H TYR A 51 7.942 6.234 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 51 8.037 3.895 -1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.128 4.079 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.621 2.777 -0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.425 1.260 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.211 3.986 2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.519 -0.031 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.303 2.685 2.729 1.00 0.00 H new ATOM 0 HH TYR A 51 12.767 1.185 1.900 1.00 0.00 H new ATOM 739 N ARG A 52 5.736 4.364 -2.594 1.00 0.00 N ATOM 740 CA ARG A 52 4.437 4.749 -3.119 1.00 0.00 C ATOM 741 C ARG A 52 3.385 3.698 -2.756 1.00 0.00 C ATOM 742 O ARG A 52 3.453 2.561 -3.219 1.00 0.00 O ATOM 743 CB ARG A 52 4.483 4.909 -4.640 1.00 0.00 C ATOM 744 CG ARG A 52 3.580 6.056 -5.099 1.00 0.00 C ATOM 745 CD ARG A 52 3.125 5.850 -6.545 1.00 0.00 C ATOM 746 NE ARG A 52 4.143 6.384 -7.477 1.00 0.00 N ATOM 747 CZ ARG A 52 4.028 6.357 -8.811 1.00 0.00 C ATOM 748 NH1 ARG A 52 2.938 5.821 -9.379 1.00 0.00 N ATOM 749 NH2 ARG A 52 5.002 6.865 -9.579 1.00 0.00 N ATOM 0 H ARG A 52 6.228 3.661 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 52 4.169 5.706 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.508 5.099 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.168 3.981 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.710 6.122 -4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.115 7.002 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.965 4.789 -6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.171 6.351 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 52 4.985 6.799 -7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.197 5.434 -8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.850 5.800 -10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.832 7.272 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.914 6.844 -10.595 1.00 0.00 H new ATOM 763 N ILE A 53 2.438 4.117 -1.930 1.00 0.00 N ATOM 764 CA ILE A 53 1.374 3.226 -1.499 1.00 0.00 C ATOM 765 C ILE A 53 0.073 3.613 -2.205 1.00 0.00 C ATOM 766 O ILE A 53 -0.143 4.783 -2.518 1.00 0.00 O ATOM 767 CB ILE A 53 1.266 3.219 0.027 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.235 2.192 0.499 1.00 0.00 C ATOM 769 CG2 ILE A 53 0.966 4.621 0.562 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.075 2.370 1.987 1.00 0.00 C ATOM 0 H ILE A 53 2.385 5.061 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 53 1.599 2.198 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 53 2.230 2.918 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.681 2.298 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.612 1.185 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.894 4.588 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.767 5.300 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.022 4.975 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.811 1.628 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.839 2.240 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.474 3.370 2.158 1.00 0.00 H new ATOM 782 N SER A 54 -0.759 2.609 -2.436 1.00 0.00 N ATOM 783 CA SER A 54 -2.033 2.830 -3.100 1.00 0.00 C ATOM 784 C SER A 54 -3.028 1.738 -2.700 1.00 0.00 C ATOM 785 O SER A 54 -2.789 0.556 -2.943 1.00 0.00 O ATOM 786 CB SER A 54 -1.863 2.862 -4.620 1.00 0.00 C ATOM 787 OG SER A 54 -0.784 2.039 -5.055 1.00 0.00 O ATOM 0 H SER A 54 -0.576 1.640 -2.175 1.00 0.00 H new ATOM 0 HA SER A 54 -2.420 3.799 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.786 2.530 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.689 3.888 -4.944 1.00 0.00 H new ATOM 0 HG SER A 54 -0.710 2.086 -6.031 1.00 0.00 H new ATOM 793 N TRP A 55 -4.122 2.173 -2.094 1.00 0.00 N ATOM 794 CA TRP A 55 -5.154 1.248 -1.658 1.00 0.00 C ATOM 795 C TRP A 55 -6.356 1.407 -2.591 1.00 0.00 C ATOM 796 O TRP A 55 -6.888 2.506 -2.743 1.00 0.00 O ATOM 797 CB TRP A 55 -5.506 1.473 -0.186 1.00 0.00 C ATOM 798 CG TRP A 55 -6.076 2.861 0.113 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.254 3.370 -0.273 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.441 3.904 0.881 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.424 4.659 0.188 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.286 4.995 0.913 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.193 3.926 1.529 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.976 6.187 1.578 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.898 5.125 2.190 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.738 6.231 2.230 1.00 0.00 C ATOM 0 H TRP A 55 -4.317 3.154 -1.894 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.800 0.219 -1.718 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.231 0.720 0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.612 1.321 0.418 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.979 2.838 -0.870 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.235 5.256 0.027 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.516 3.085 1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.655 7.027 1.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.951 5.195 2.705 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.437 7.121 2.762 1.00 0.00 H new ATOM 817 N GLU A 56 -6.750 0.293 -3.191 1.00 0.00 N ATOM 818 CA GLU A 56 -7.880 0.295 -4.105 1.00 0.00 C ATOM 819 C GLU A 56 -8.642 -1.028 -4.009 1.00 0.00 C ATOM 820 O GLU A 56 -8.036 -2.088 -3.861 1.00 0.00 O ATOM 821 CB GLU A 56 -7.423 0.562 -5.541 1.00 0.00 C ATOM 822 CG GLU A 56 -6.830 -0.700 -6.171 1.00 0.00 C ATOM 823 CD GLU A 56 -6.267 -0.405 -7.563 1.00 0.00 C ATOM 824 OE1 GLU A 56 -5.121 0.090 -7.618 1.00 0.00 O ATOM 825 OE2 GLU A 56 -6.996 -0.682 -8.540 1.00 0.00 O ATOM 0 H GLU A 56 -6.307 -0.617 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.554 1.102 -3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.268 0.908 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.680 1.360 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.040 -1.094 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.597 -1.471 -6.241 1.00 0.00 H new ATOM 832 N GLU A 57 -9.960 -0.922 -4.098 1.00 0.00 N ATOM 833 CA GLU A 57 -10.811 -2.097 -4.023 1.00 0.00 C ATOM 834 C GLU A 57 -10.263 -3.209 -4.920 1.00 0.00 C ATOM 835 O GLU A 57 -9.305 -2.996 -5.662 1.00 0.00 O ATOM 836 CB GLU A 57 -12.255 -1.753 -4.397 1.00 0.00 C ATOM 837 CG GLU A 57 -13.049 -1.309 -3.167 1.00 0.00 C ATOM 838 CD GLU A 57 -14.352 -2.100 -3.041 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.299 -3.325 -3.285 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.373 -1.462 -2.704 1.00 0.00 O ATOM 0 H GLU A 57 -10.459 -0.041 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.812 -2.455 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.262 -0.960 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.734 -2.621 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.446 -1.450 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.271 -0.244 -3.238 1.00 0.00 H new ATOM 847 N TYR A 58 -10.893 -4.370 -4.822 1.00 0.00 N ATOM 848 CA TYR A 58 -10.479 -5.515 -5.615 1.00 0.00 C ATOM 849 C TYR A 58 -10.334 -5.136 -7.090 1.00 0.00 C ATOM 850 O TYR A 58 -9.245 -5.231 -7.655 1.00 0.00 O ATOM 851 CB TYR A 58 -11.597 -6.551 -5.475 1.00 0.00 C ATOM 852 CG TYR A 58 -11.406 -7.794 -6.345 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.371 -8.668 -6.083 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.269 -8.042 -7.393 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.191 -9.839 -6.902 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.089 -9.212 -8.213 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.059 -10.053 -7.927 1.00 0.00 C ATOM 858 OH TYR A 58 -10.889 -11.158 -8.701 1.00 0.00 O ATOM 0 H TYR A 58 -11.687 -4.543 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.515 -5.891 -5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.665 -6.858 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.547 -6.082 -5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.695 -8.474 -5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.080 -7.358 -7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.385 -10.531 -6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.757 -9.417 -9.037 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.582 -11.182 -9.393 1.00 0.00 H new ATOM 868 N ASN A 59 -11.447 -4.716 -7.673 1.00 0.00 N ATOM 869 CA ASN A 59 -11.457 -4.323 -9.072 1.00 0.00 C ATOM 870 C ASN A 59 -12.019 -2.905 -9.194 1.00 0.00 C ATOM 871 O ASN A 59 -13.126 -2.713 -9.697 1.00 0.00 O ATOM 872 CB ASN A 59 -12.343 -5.256 -9.900 1.00 0.00 C ATOM 873 CG ASN A 59 -12.331 -4.856 -11.376 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.623 -3.955 -11.797 1.00 0.00 O ATOM 875 ND2 ASN A 59 -13.152 -5.573 -12.138 1.00 0.00 N ATOM 0 H ASN A 59 -12.348 -4.639 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.434 -4.374 -9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.994 -6.283 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.364 -5.226 -9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.216 -5.383 -13.138 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.717 -6.313 -11.722 1.00 0.00 H new ATOM 882 N ARG A 60 -11.232 -1.948 -8.726 1.00 0.00 N ATOM 883 CA ARG A 60 -11.637 -0.553 -8.777 1.00 0.00 C ATOM 884 C ARG A 60 -10.407 0.356 -8.803 1.00 0.00 C ATOM 885 O ARG A 60 -9.753 0.551 -7.780 1.00 0.00 O ATOM 886 CB ARG A 60 -12.507 -0.188 -7.572 1.00 0.00 C ATOM 887 CG ARG A 60 -13.472 -1.325 -7.228 1.00 0.00 C ATOM 888 CD ARG A 60 -14.433 -0.909 -6.113 1.00 0.00 C ATOM 889 NE ARG A 60 -15.759 -0.582 -6.683 1.00 0.00 N ATOM 890 CZ ARG A 60 -16.648 -1.497 -7.091 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.359 -2.802 -6.995 1.00 0.00 N ATOM 892 NH2 ARG A 60 -17.827 -1.108 -7.596 1.00 0.00 N ATOM 0 H ARG A 60 -10.315 -2.111 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.218 -0.409 -9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.872 0.028 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.071 0.720 -7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.039 -1.607 -8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.908 -2.204 -6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.530 -1.715 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.034 -0.045 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.012 0.402 -6.771 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.462 -3.099 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.036 -3.499 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.047 -0.115 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.504 -1.805 -7.907 1.00 0.00 H new ATOM 906 N THR A 61 -10.130 0.889 -9.984 1.00 0.00 N ATOM 907 CA THR A 61 -8.990 1.773 -10.157 1.00 0.00 C ATOM 908 C THR A 61 -9.384 3.218 -9.845 1.00 0.00 C ATOM 909 O THR A 61 -8.548 4.119 -9.900 1.00 0.00 O ATOM 910 CB THR A 61 -8.455 1.582 -11.578 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.081 0.208 -11.626 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.144 2.334 -11.815 1.00 0.00 C ATOM 0 H THR A 61 -10.675 0.726 -10.830 1.00 0.00 H new ATOM 0 HA THR A 61 -8.190 1.529 -9.458 1.00 0.00 H new ATOM 0 HB THR A 61 -9.202 1.920 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.724 -0.003 -12.514 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.808 2.165 -12.838 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.303 3.401 -11.656 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.386 1.973 -11.120 1.00 0.00 H new ATOM 920 N ASN A 62 -10.658 3.395 -9.526 1.00 0.00 N ATOM 921 CA ASN A 62 -11.173 4.715 -9.205 1.00 0.00 C ATOM 922 C ASN A 62 -10.939 5.003 -7.721 1.00 0.00 C ATOM 923 O ASN A 62 -10.737 6.152 -7.332 1.00 0.00 O ATOM 924 CB ASN A 62 -12.677 4.799 -9.471 1.00 0.00 C ATOM 925 CG ASN A 62 -13.107 6.243 -9.740 1.00 0.00 C ATOM 926 OD1 ASN A 62 -12.443 6.997 -10.431 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.252 6.584 -9.156 1.00 0.00 N ATOM 0 H ASN A 62 -11.349 2.646 -9.483 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.654 5.440 -9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.934 4.174 -10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.224 4.407 -8.614 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.624 7.526 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.758 5.903 -8.590 1.00 0.00 H new ATOM 934 N THR A 63 -10.974 3.939 -6.932 1.00 0.00 N ATOM 935 CA THR A 63 -10.768 4.062 -5.499 1.00 0.00 C ATOM 936 C THR A 63 -9.285 3.904 -5.158 1.00 0.00 C ATOM 937 O THR A 63 -8.940 3.482 -4.055 1.00 0.00 O ATOM 938 CB THR A 63 -11.665 3.037 -4.802 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.345 1.805 -5.442 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.147 3.247 -5.117 1.00 0.00 C ATOM 0 H THR A 63 -11.142 2.987 -7.258 1.00 0.00 H new ATOM 0 HA THR A 63 -11.047 5.054 -5.143 1.00 0.00 H new ATOM 0 HB THR A 63 -11.512 3.093 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.881 1.084 -5.050 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.740 2.494 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.452 4.240 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.307 3.157 -6.191 1.00 0.00 H new ATOM 948 N ARG A 64 -8.448 4.250 -6.124 1.00 0.00 N ATOM 949 CA ARG A 64 -7.010 4.152 -5.940 1.00 0.00 C ATOM 950 C ARG A 64 -6.450 5.474 -5.411 1.00 0.00 C ATOM 951 O ARG A 64 -6.733 6.536 -5.962 1.00 0.00 O ATOM 952 CB ARG A 64 -6.309 3.799 -7.253 1.00 0.00 C ATOM 953 CG ARG A 64 -4.846 3.423 -7.011 1.00 0.00 C ATOM 954 CD ARG A 64 -3.956 3.920 -8.152 1.00 0.00 C ATOM 955 NE ARG A 64 -2.624 4.296 -7.627 1.00 0.00 N ATOM 956 CZ ARG A 64 -1.579 4.628 -8.399 1.00 0.00 C ATOM 957 NH1 ARG A 64 -1.706 4.632 -9.733 1.00 0.00 N ATOM 958 NH2 ARG A 64 -0.408 4.955 -7.836 1.00 0.00 N ATOM 0 H ARG A 64 -8.738 4.599 -7.038 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.823 3.359 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.827 2.969 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.362 4.646 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.508 3.852 -6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.755 2.341 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.852 3.142 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.420 4.778 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.493 4.303 -6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.598 4.383 -10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.911 4.885 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.312 4.951 -6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.387 5.208 -8.423 1.00 0.00 H new ATOM 972 N VAL A 65 -5.667 5.365 -4.348 1.00 0.00 N ATOM 973 CA VAL A 65 -5.065 6.539 -3.738 1.00 0.00 C ATOM 974 C VAL A 65 -3.565 6.551 -4.037 1.00 0.00 C ATOM 975 O VAL A 65 -2.987 5.519 -4.373 1.00 0.00 O ATOM 976 CB VAL A 65 -5.377 6.568 -2.241 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.896 7.875 -1.606 1.00 0.00 C ATOM 978 CG2 VAL A 65 -6.870 6.352 -1.987 1.00 0.00 C ATOM 0 H VAL A 65 -5.435 4.482 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.488 7.450 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.836 5.747 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.130 7.870 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.818 7.970 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.397 8.717 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.064 6.377 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.440 7.141 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.171 5.384 -2.387 1.00 0.00 H new ATOM 988 N THR A 66 -2.977 7.731 -3.905 1.00 0.00 N ATOM 989 CA THR A 66 -1.555 7.892 -4.156 1.00 0.00 C ATOM 990 C THR A 66 -0.884 8.611 -2.985 1.00 0.00 C ATOM 991 O THR A 66 -1.202 9.764 -2.695 1.00 0.00 O ATOM 992 CB THR A 66 -1.391 8.621 -5.491 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.132 7.827 -6.414 1.00 0.00 O ATOM 994 CG2 THR A 66 0.045 8.562 -6.018 1.00 0.00 C ATOM 0 H THR A 66 -3.460 8.585 -3.627 1.00 0.00 H new ATOM 0 HA THR A 66 -1.055 6.926 -4.232 1.00 0.00 H new ATOM 0 HB THR A 66 -1.693 9.662 -5.375 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.080 8.229 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.106 9.094 -6.967 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.717 9.028 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.336 7.522 -6.166 1.00 0.00 H new ATOM 1002 N HIS A 67 0.032 7.901 -2.342 1.00 0.00 N ATOM 1003 CA HIS A 67 0.751 8.457 -1.209 1.00 0.00 C ATOM 1004 C HIS A 67 2.252 8.221 -1.387 1.00 0.00 C ATOM 1005 O HIS A 67 2.665 7.171 -1.876 1.00 0.00 O ATOM 1006 CB HIS A 67 0.213 7.890 0.107 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.130 7.212 -0.020 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -1.349 6.133 -0.857 1.00 0.00 N ATOM 1009 CD2 HIS A 67 -2.321 7.472 0.593 1.00 0.00 C ATOM 1010 CE1 HIS A 67 -2.618 5.767 -0.746 1.00 0.00 C ATOM 1011 NE2 HIS A 67 -3.218 6.599 0.153 1.00 0.00 N ATOM 0 H HIS A 67 0.292 6.945 -2.585 1.00 0.00 H new ATOM 0 HA HIS A 67 0.591 9.534 -1.166 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.933 7.175 0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.133 8.699 0.833 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.652 5.693 -1.458 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.503 8.255 1.314 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.093 4.954 -1.274 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.196 6.557 0.440 1.00 0.00 H new ATOM 1019 N TYR A 68 3.027 9.216 -0.980 1.00 0.00 N ATOM 1020 CA TYR A 68 4.473 9.130 -1.089 1.00 0.00 C ATOM 1021 C TYR A 68 5.136 9.283 0.282 1.00 0.00 C ATOM 1022 O TYR A 68 5.225 10.389 0.812 1.00 0.00 O ATOM 1023 CB TYR A 68 4.900 10.297 -1.981 1.00 0.00 C ATOM 1024 CG TYR A 68 4.207 10.323 -3.345 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.462 9.328 -4.267 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.328 11.341 -3.654 1.00 0.00 C ATOM 1027 CE1 TYR A 68 3.810 9.352 -5.551 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.676 11.365 -4.937 1.00 0.00 C ATOM 1029 CZ TYR A 68 2.949 10.369 -5.823 1.00 0.00 C ATOM 1030 OH TYR A 68 2.334 10.392 -7.035 1.00 0.00 O ATOM 0 H TYR A 68 2.681 10.085 -0.574 1.00 0.00 H new ATOM 0 HA TYR A 68 4.770 8.163 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.693 11.233 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.978 10.249 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.150 8.532 -4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.129 12.120 -2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.001 8.580 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.986 12.156 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 68 1.747 11.175 -7.089 1.00 0.00 H new ATOM 1040 N LEU A 69 5.584 8.156 0.816 1.00 0.00 N ATOM 1041 CA LEU A 69 6.236 8.151 2.115 1.00 0.00 C ATOM 1042 C LEU A 69 7.753 8.151 1.918 1.00 0.00 C ATOM 1043 O LEU A 69 8.243 7.823 0.839 1.00 0.00 O ATOM 1044 CB LEU A 69 5.726 6.986 2.965 1.00 0.00 C ATOM 1045 CG LEU A 69 4.252 6.618 2.784 1.00 0.00 C ATOM 1046 CD1 LEU A 69 4.036 5.114 2.960 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.363 7.438 3.722 1.00 0.00 C ATOM 0 H LEU A 69 5.508 7.240 0.373 1.00 0.00 H new ATOM 0 HA LEU A 69 5.986 9.054 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.330 6.107 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.893 7.228 4.015 1.00 0.00 H new ATOM 0 HG LEU A 69 3.961 6.868 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.980 4.880 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.624 4.573 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.350 4.816 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.320 7.157 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.647 7.243 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.487 8.499 3.506 1.00 0.00 H new ATOM 1059 N PRO A 70 8.474 8.532 3.007 1.00 0.00 N ATOM 1060 CA PRO A 70 9.925 8.579 2.966 1.00 0.00 C ATOM 1061 C PRO A 70 10.521 7.171 3.021 1.00 0.00 C ATOM 1062 O PRO A 70 9.793 6.190 3.165 1.00 0.00 O ATOM 1063 CB PRO A 70 10.325 9.440 4.152 1.00 0.00 C ATOM 1064 CG PRO A 70 9.120 9.459 5.079 1.00 0.00 C ATOM 1065 CD PRO A 70 7.927 8.927 4.302 1.00 0.00 C ATOM 0 HA PRO A 70 10.306 9.003 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.199 9.028 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.587 10.448 3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.306 8.845 5.960 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.925 10.472 5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.468 8.081 4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.156 9.689 4.190 1.00 0.00 H new ATOM 1073 N ASN A 71 11.840 7.116 2.905 1.00 0.00 N ATOM 1074 CA ASN A 71 12.542 5.844 2.940 1.00 0.00 C ATOM 1075 C ASN A 71 12.777 5.436 4.396 1.00 0.00 C ATOM 1076 O ASN A 71 13.602 4.568 4.676 1.00 0.00 O ATOM 1077 CB ASN A 71 13.905 5.948 2.253 1.00 0.00 C ATOM 1078 CG ASN A 71 14.864 6.820 3.065 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.467 7.734 3.770 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.144 6.489 2.928 1.00 0.00 N ATOM 0 H ASN A 71 12.441 7.932 2.787 1.00 0.00 H new ATOM 0 HA ASN A 71 11.931 5.107 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.330 4.952 2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.782 6.369 1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.862 7.011 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.408 5.713 2.321 1.00 0.00 H new ATOM 1087 N VAL A 72 12.035 6.081 5.284 1.00 0.00 N ATOM 1088 CA VAL A 72 12.152 5.796 6.704 1.00 0.00 C ATOM 1089 C VAL A 72 10.865 5.130 7.194 1.00 0.00 C ATOM 1090 O VAL A 72 10.853 4.493 8.246 1.00 0.00 O ATOM 1091 CB VAL A 72 12.491 7.078 7.469 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.755 7.732 6.909 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.314 8.054 7.451 1.00 0.00 C ATOM 0 H VAL A 72 11.351 6.800 5.048 1.00 0.00 H new ATOM 0 HA VAL A 72 12.969 5.098 6.887 1.00 0.00 H new ATOM 0 HB VAL A 72 12.686 6.808 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.974 8.641 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.593 7.040 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.601 7.982 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.581 8.956 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.074 8.315 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.447 7.587 7.918 1.00 0.00 H new ATOM 1103 N THR A 73 9.812 5.301 6.409 1.00 0.00 N ATOM 1104 CA THR A 73 8.522 4.725 6.749 1.00 0.00 C ATOM 1105 C THR A 73 8.197 3.557 5.816 1.00 0.00 C ATOM 1106 O THR A 73 8.525 3.594 4.631 1.00 0.00 O ATOM 1107 CB THR A 73 7.479 5.844 6.710 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.783 6.643 7.850 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.062 5.333 6.980 1.00 0.00 C ATOM 0 H THR A 73 9.826 5.831 5.538 1.00 0.00 H new ATOM 0 HA THR A 73 8.529 4.304 7.754 1.00 0.00 H new ATOM 0 HB THR A 73 7.509 6.334 5.737 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.155 7.394 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.361 6.167 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.791 4.595 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.023 4.872 7.967 1.00 0.00 H new ATOM 1117 N LEU A 74 7.555 2.548 6.386 1.00 0.00 N ATOM 1118 CA LEU A 74 7.181 1.371 5.620 1.00 0.00 C ATOM 1119 C LEU A 74 5.759 0.952 5.997 1.00 0.00 C ATOM 1120 O LEU A 74 5.307 -0.130 5.625 1.00 0.00 O ATOM 1121 CB LEU A 74 8.218 0.261 5.803 1.00 0.00 C ATOM 1122 CG LEU A 74 9.671 0.717 5.946 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.417 -0.140 6.970 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.377 0.732 4.588 1.00 0.00 C ATOM 0 H LEU A 74 7.284 2.521 7.369 1.00 0.00 H new ATOM 0 HA LEU A 74 7.174 1.597 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.951 -0.316 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.152 -0.414 4.950 1.00 0.00 H new ATOM 0 HG LEU A 74 9.672 1.740 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.447 0.206 7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.928 -0.056 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.408 -1.181 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.408 1.060 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.366 -0.271 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.860 1.418 3.917 1.00 0.00 H new ATOM 1136 N GLU A 75 5.092 1.832 6.730 1.00 0.00 N ATOM 1137 CA GLU A 75 3.730 1.567 7.162 1.00 0.00 C ATOM 1138 C GLU A 75 2.916 2.863 7.174 1.00 0.00 C ATOM 1139 O GLU A 75 3.429 3.919 7.539 1.00 0.00 O ATOM 1140 CB GLU A 75 3.712 0.895 8.536 1.00 0.00 C ATOM 1141 CG GLU A 75 4.300 1.817 9.605 1.00 0.00 C ATOM 1142 CD GLU A 75 5.729 1.401 9.962 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.883 0.258 10.443 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.634 2.236 9.746 1.00 0.00 O ATOM 0 H GLU A 75 5.469 2.729 7.036 1.00 0.00 H new ATOM 0 HA GLU A 75 3.271 0.879 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.689 0.630 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.282 -0.033 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.296 2.846 9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.675 1.789 10.498 1.00 0.00 H new ATOM 1151 N TYR A 76 1.661 2.739 6.769 1.00 0.00 N ATOM 1152 CA TYR A 76 0.771 3.886 6.729 1.00 0.00 C ATOM 1153 C TYR A 76 -0.675 3.469 7.003 1.00 0.00 C ATOM 1154 O TYR A 76 -1.105 2.395 6.584 1.00 0.00 O ATOM 1155 CB TYR A 76 0.867 4.445 5.307 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.045 5.646 5.048 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.372 5.448 4.724 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.460 6.927 5.137 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.230 6.578 4.480 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.398 8.057 4.892 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.701 7.827 4.576 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.511 8.895 4.345 1.00 0.00 O ATOM 0 H TYR A 76 1.239 1.861 6.466 1.00 0.00 H new ATOM 0 HA TYR A 76 1.054 4.617 7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.899 4.736 5.111 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.619 3.654 4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.767 4.445 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.498 7.082 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.270 6.437 4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.016 9.065 4.958 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.998 9.723 4.450 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.386 4.339 7.705 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.775 4.074 8.041 1.00 0.00 C ATOM 1174 C ARG A 77 -3.684 4.444 6.867 1.00 0.00 C ATOM 1175 O ARG A 77 -3.604 5.553 6.341 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.203 4.865 9.278 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.628 4.499 9.697 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.694 4.172 11.190 1.00 0.00 C ATOM 1179 NE ARG A 77 -4.075 5.264 11.975 1.00 0.00 N ATOM 1180 CZ ARG A 77 -2.827 5.226 12.461 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -2.057 4.151 12.245 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -2.349 6.263 13.162 1.00 0.00 N ATOM 0 H ARG A 77 -1.026 5.229 8.051 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.867 3.009 8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.515 4.663 10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.145 5.933 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.301 5.327 9.472 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.972 3.642 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.731 4.036 11.495 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.178 3.233 11.388 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.634 6.098 12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.421 3.362 11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.107 4.122 12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.935 7.081 13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.399 6.234 13.532 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.528 3.495 6.491 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.451 3.707 5.390 1.00 0.00 C ATOM 1198 C VAL A 78 -6.846 3.999 5.948 1.00 0.00 C ATOM 1199 O VAL A 78 -7.224 3.468 6.991 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.425 2.503 4.445 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.398 2.698 3.281 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.007 2.236 3.936 1.00 0.00 C ATOM 0 H VAL A 78 -4.592 2.576 6.930 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.149 4.573 4.800 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.749 1.628 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.360 1.828 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.410 2.816 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.119 3.589 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.017 1.376 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.643 3.111 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.350 2.031 4.781 1.00 0.00 H new ATOM 1212 N THR A 79 -7.572 4.841 5.228 1.00 0.00 N ATOM 1213 CA THR A 79 -8.916 5.210 5.638 1.00 0.00 C ATOM 1214 C THR A 79 -9.728 5.689 4.434 1.00 0.00 C ATOM 1215 O THR A 79 -9.182 6.294 3.512 1.00 0.00 O ATOM 1216 CB THR A 79 -8.801 6.256 6.749 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.916 7.236 6.213 1.00 0.00 O ATOM 1218 CG2 THR A 79 -8.066 5.723 7.981 1.00 0.00 C ATOM 0 H THR A 79 -7.255 5.278 4.363 1.00 0.00 H new ATOM 0 HA THR A 79 -9.458 4.352 6.035 1.00 0.00 H new ATOM 0 HB THR A 79 -9.798 6.590 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.787 7.953 6.868 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.012 6.505 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.604 4.865 8.383 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.057 5.420 7.700 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.021 5.402 4.480 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.914 5.796 3.404 1.00 0.00 C ATOM 1228 C GLY A 80 -12.283 4.596 2.529 1.00 0.00 C ATOM 1229 O GLY A 80 -12.705 4.763 1.386 1.00 0.00 O ATOM 0 H GLY A 80 -11.471 4.901 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.819 6.238 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.437 6.563 2.793 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.109 3.413 3.100 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.418 2.186 2.387 1.00 0.00 C ATOM 1235 C LEU A 81 -13.919 1.907 2.487 1.00 0.00 C ATOM 1236 O LEU A 81 -14.731 2.827 2.407 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.544 1.037 2.894 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.094 1.393 3.227 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.514 0.425 4.260 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.240 1.458 1.959 1.00 0.00 C ATOM 0 H LEU A 81 -11.758 3.279 4.048 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.183 2.292 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.009 0.620 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.540 0.250 2.140 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.081 2.387 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.482 0.701 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.104 0.473 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.542 -0.590 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.214 1.713 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.256 0.489 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.641 2.218 1.289 1.00 0.00 H new ATOM 1252 N THR A 82 -14.242 0.634 2.659 1.00 0.00 N ATOM 1253 CA THR A 82 -15.631 0.222 2.770 1.00 0.00 C ATOM 1254 C THR A 82 -15.767 -0.934 3.763 1.00 0.00 C ATOM 1255 O THR A 82 -14.857 -1.750 3.900 1.00 0.00 O ATOM 1256 CB THR A 82 -16.137 -0.119 1.368 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.984 1.096 0.638 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.643 -0.385 1.337 1.00 0.00 C ATOM 0 H THR A 82 -13.565 -0.126 2.724 1.00 0.00 H new ATOM 0 HA THR A 82 -16.251 1.025 3.168 1.00 0.00 H new ATOM 0 HB THR A 82 -15.606 -0.995 0.994 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.207 1.026 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.950 -0.622 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.878 -1.224 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.176 0.502 1.679 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.911 -0.967 4.431 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.178 -2.010 5.407 1.00 0.00 C ATOM 1268 C ALA A 83 -17.340 -3.349 4.685 1.00 0.00 C ATOM 1269 O ALA A 83 -17.955 -3.414 3.622 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.413 -1.636 6.229 1.00 0.00 C ATOM 0 H ALA A 83 -17.664 -0.288 4.316 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.343 -2.109 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.613 -2.418 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.234 -0.693 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.272 -1.530 5.567 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.779 -4.384 5.292 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.854 -5.718 4.721 1.00 0.00 C ATOM 1278 C LEU A 84 -16.646 -5.632 3.207 1.00 0.00 C ATOM 1279 O LEU A 84 -17.519 -6.022 2.434 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.163 -6.400 5.123 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.461 -6.447 6.623 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.658 -7.353 6.917 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.220 -6.861 7.417 1.00 0.00 C ATOM 0 H LEU A 84 -16.270 -4.326 6.174 1.00 0.00 H new ATOM 0 HA LEU A 84 -16.058 -6.348 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.985 -5.886 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.149 -7.422 4.743 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.731 -5.442 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.848 -7.368 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.538 -6.973 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.442 -8.364 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.460 -6.886 8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.895 -7.850 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.420 -6.142 7.243 1.00 0.00 H new ATOM 1295 N THR A 85 -15.484 -5.118 2.830 1.00 0.00 N ATOM 1296 CA THR A 85 -15.150 -4.976 1.423 1.00 0.00 C ATOM 1297 C THR A 85 -13.701 -5.399 1.174 1.00 0.00 C ATOM 1298 O THR A 85 -12.843 -5.231 2.040 1.00 0.00 O ATOM 1299 CB THR A 85 -15.440 -3.532 1.012 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.859 -3.486 0.883 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.927 -3.208 -0.393 1.00 0.00 C ATOM 0 H THR A 85 -14.762 -4.795 3.474 1.00 0.00 H new ATOM 0 HA THR A 85 -15.759 -5.634 0.803 1.00 0.00 H new ATOM 0 HB THR A 85 -14.983 -2.852 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.267 -3.447 1.773 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.159 -2.171 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.848 -3.357 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.408 -3.866 -1.117 1.00 0.00 H new ATOM 1309 N THR A 86 -13.472 -5.940 -0.014 1.00 0.00 N ATOM 1310 CA THR A 86 -12.142 -6.389 -0.388 1.00 0.00 C ATOM 1311 C THR A 86 -11.338 -5.233 -0.986 1.00 0.00 C ATOM 1312 O THR A 86 -11.812 -4.543 -1.888 1.00 0.00 O ATOM 1313 CB THR A 86 -12.294 -7.578 -1.338 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.046 -8.528 -0.588 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.964 -8.286 -1.609 1.00 0.00 C ATOM 0 H THR A 86 -14.185 -6.077 -0.730 1.00 0.00 H new ATOM 0 HA THR A 86 -11.577 -6.721 0.483 1.00 0.00 H new ATOM 0 HB THR A 86 -12.722 -7.236 -2.281 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.192 -9.331 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.129 -9.122 -2.289 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.263 -7.584 -2.061 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.552 -8.657 -0.671 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.134 -5.056 -0.460 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.260 -3.996 -0.931 1.00 0.00 C ATOM 1325 C TYR A 87 -7.837 -4.514 -1.147 1.00 0.00 C ATOM 1326 O TYR A 87 -7.404 -5.449 -0.476 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.243 -2.941 0.177 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.404 -1.947 0.108 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.607 -2.249 0.713 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.248 -0.749 -0.559 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.700 -1.313 0.649 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.341 0.186 -0.624 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.513 -0.142 -0.017 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.545 0.742 -0.078 1.00 0.00 O ATOM 0 H TYR A 87 -9.744 -5.629 0.288 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.616 -3.599 -1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.266 -3.444 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.304 -2.391 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.729 -3.187 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.306 -0.513 -1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.646 -1.536 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.233 1.127 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.268 1.534 -0.584 1.00 0.00 H new ATOM 1344 N THR A 88 -7.148 -3.884 -2.088 1.00 0.00 N ATOM 1345 CA THR A 88 -5.783 -4.269 -2.401 1.00 0.00 C ATOM 1346 C THR A 88 -4.840 -3.075 -2.236 1.00 0.00 C ATOM 1347 O THR A 88 -4.924 -2.105 -2.988 1.00 0.00 O ATOM 1348 CB THR A 88 -5.771 -4.862 -3.812 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.763 -6.271 -3.596 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.459 -4.591 -4.550 1.00 0.00 C ATOM 0 H THR A 88 -7.510 -3.109 -2.644 1.00 0.00 H new ATOM 0 HA THR A 88 -5.418 -5.029 -1.710 1.00 0.00 H new ATOM 0 HB THR A 88 -6.602 -4.451 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.757 -6.734 -4.460 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.503 -5.033 -5.545 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.306 -3.515 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.631 -5.031 -3.994 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.965 -3.186 -1.248 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.008 -2.127 -0.975 1.00 0.00 C ATOM 1360 C ILE A 89 -1.714 -2.406 -1.742 1.00 0.00 C ATOM 1361 O ILE A 89 -1.057 -3.420 -1.512 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.806 -1.964 0.533 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.115 -2.194 1.290 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.186 -0.604 0.859 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.214 -1.259 0.781 1.00 0.00 C ATOM 0 H ILE A 89 -3.898 -3.992 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.388 -1.168 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.103 -2.727 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.431 -3.231 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.957 -2.029 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.053 -0.514 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.218 -0.518 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.845 0.190 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.134 -1.443 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.905 -0.223 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.387 -1.444 -0.279 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.386 -1.487 -2.639 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.182 -1.621 -3.441 1.00 0.00 C ATOM 1379 C GLU A 90 0.937 -0.748 -2.869 1.00 0.00 C ATOM 1380 O GLU A 90 0.813 0.475 -2.821 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.457 -1.269 -4.905 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.759 -1.911 -5.387 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.795 -0.844 -5.749 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.497 -0.054 -6.671 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.861 -0.843 -5.097 1.00 0.00 O ATOM 0 H GLU A 90 -1.933 -0.647 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 90 0.141 -2.661 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.518 -0.187 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.372 -1.608 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.559 -2.539 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.158 -2.561 -4.609 1.00 0.00 H new ATOM 1392 N VAL A 91 2.005 -1.411 -2.449 1.00 0.00 N ATOM 1393 CA VAL A 91 3.145 -0.711 -1.882 1.00 0.00 C ATOM 1394 C VAL A 91 4.330 -0.812 -2.845 1.00 0.00 C ATOM 1395 O VAL A 91 4.795 -1.909 -3.150 1.00 0.00 O ATOM 1396 CB VAL A 91 3.458 -1.263 -0.490 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.723 -0.620 0.083 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.270 -1.073 0.455 1.00 0.00 C ATOM 0 H VAL A 91 2.105 -2.425 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 91 2.919 0.348 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 91 3.641 -2.333 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.923 -1.030 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.567 -0.830 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.581 0.458 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.519 -1.474 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.042 -0.011 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.402 -1.599 0.058 1.00 0.00 H new ATOM 1408 N ALA A 92 4.784 0.348 -3.296 1.00 0.00 N ATOM 1409 CA ALA A 92 5.906 0.405 -4.218 1.00 0.00 C ATOM 1410 C ALA A 92 7.041 1.213 -3.585 1.00 0.00 C ATOM 1411 O ALA A 92 6.817 1.969 -2.641 1.00 0.00 O ATOM 1412 CB ALA A 92 5.442 0.997 -5.551 1.00 0.00 C ATOM 0 H ALA A 92 4.395 1.256 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 92 6.287 -0.596 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.283 1.040 -6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.656 0.371 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.055 2.003 -5.387 1.00 0.00 H new ATOM 1418 N ALA A 93 8.233 1.025 -4.130 1.00 0.00 N ATOM 1419 CA ALA A 93 9.404 1.726 -3.630 1.00 0.00 C ATOM 1420 C ALA A 93 9.760 2.863 -4.591 1.00 0.00 C ATOM 1421 O ALA A 93 9.345 2.855 -5.749 1.00 0.00 O ATOM 1422 CB ALA A 93 10.554 0.735 -3.448 1.00 0.00 C ATOM 0 H ALA A 93 8.414 0.397 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 93 9.199 2.169 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.432 1.261 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.261 -0.036 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.790 0.272 -4.406 1.00 0.00 H new ATOM 1428 N MET A 94 10.526 3.813 -4.074 1.00 0.00 N ATOM 1429 CA MET A 94 10.943 4.953 -4.872 1.00 0.00 C ATOM 1430 C MET A 94 12.400 5.321 -4.582 1.00 0.00 C ATOM 1431 O MET A 94 12.792 5.452 -3.423 1.00 0.00 O ATOM 1432 CB MET A 94 10.043 6.150 -4.561 1.00 0.00 C ATOM 1433 CG MET A 94 8.565 5.769 -4.677 1.00 0.00 C ATOM 1434 SD MET A 94 7.554 6.988 -3.852 1.00 0.00 S ATOM 1435 CE MET A 94 7.498 8.249 -5.114 1.00 0.00 C ATOM 0 H MET A 94 10.868 3.816 -3.113 1.00 0.00 H new ATOM 0 HA MET A 94 10.857 4.687 -5.925 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.251 6.514 -3.555 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.267 6.966 -5.248 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.280 5.699 -5.727 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.398 4.787 -4.235 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.420 9.230 -4.645 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.407 8.205 -5.713 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.632 8.084 -5.755 1.00 0.00 H new ATOM 1445 N THR A 95 13.162 5.479 -5.654 1.00 0.00 N ATOM 1446 CA THR A 95 14.566 5.829 -5.530 1.00 0.00 C ATOM 1447 C THR A 95 14.853 7.148 -6.251 1.00 0.00 C ATOM 1448 O THR A 95 13.933 7.906 -6.554 1.00 0.00 O ATOM 1449 CB THR A 95 15.395 4.656 -6.057 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.844 4.392 -7.344 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.146 3.365 -5.274 1.00 0.00 C ATOM 0 H THR A 95 12.833 5.371 -6.613 1.00 0.00 H new ATOM 0 HA THR A 95 14.840 5.997 -4.489 1.00 0.00 H new ATOM 0 HB THR A 95 16.454 4.910 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.324 3.645 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.758 2.564 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.409 3.518 -4.227 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.093 3.092 -5.348 1.00 0.00 H new ATOM 1459 N SER A 96 16.132 7.380 -6.505 1.00 0.00 N ATOM 1460 CA SER A 96 16.552 8.594 -7.185 1.00 0.00 C ATOM 1461 C SER A 96 16.331 8.452 -8.692 1.00 0.00 C ATOM 1462 O SER A 96 16.685 9.344 -9.462 1.00 0.00 O ATOM 1463 CB SER A 96 18.019 8.911 -6.891 1.00 0.00 C ATOM 1464 OG SER A 96 18.582 9.785 -7.866 1.00 0.00 O ATOM 0 H SER A 96 16.892 6.748 -6.252 1.00 0.00 H new ATOM 0 HA SER A 96 15.948 9.421 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.101 9.368 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.591 7.984 -6.861 1.00 0.00 H new ATOM 0 HG SER A 96 17.887 10.059 -8.500 1.00 0.00 H new ATOM 1470 N LYS A 97 15.746 7.325 -9.069 1.00 0.00 N ATOM 1471 CA LYS A 97 15.473 7.055 -10.471 1.00 0.00 C ATOM 1472 C LYS A 97 13.963 7.097 -10.709 1.00 0.00 C ATOM 1473 O LYS A 97 13.503 7.649 -11.708 1.00 0.00 O ATOM 1474 CB LYS A 97 16.128 5.741 -10.901 1.00 0.00 C ATOM 1475 CG LYS A 97 15.081 4.748 -11.411 1.00 0.00 C ATOM 1476 CD LYS A 97 14.593 5.136 -12.808 1.00 0.00 C ATOM 1477 CE LYS A 97 13.065 5.116 -12.881 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.602 4.018 -13.759 1.00 0.00 N ATOM 0 H LYS A 97 15.453 6.588 -8.428 1.00 0.00 H new ATOM 0 HA LYS A 97 15.917 7.826 -11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.862 5.935 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.667 5.306 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.507 3.745 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.237 4.718 -10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.960 6.131 -13.062 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.005 4.447 -13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.649 4.990 -11.881 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.701 6.071 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.620 3.774 -13.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.652 4.323 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.209 3.185 -13.622 1.00 0.00 H new ATOM 1492 N GLY A 98 13.232 6.506 -9.776 1.00 0.00 N ATOM 1493 CA GLY A 98 11.782 6.468 -9.872 1.00 0.00 C ATOM 1494 C GLY A 98 11.201 5.380 -8.968 1.00 0.00 C ATOM 1495 O GLY A 98 11.791 5.036 -7.945 1.00 0.00 O ATOM 0 H GLY A 98 13.616 6.049 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.370 7.437 -9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.487 6.283 -10.905 1.00 0.00 H new ATOM 1499 N GLN A 99 10.049 4.868 -9.378 1.00 0.00 N ATOM 1500 CA GLN A 99 9.381 3.825 -8.617 1.00 0.00 C ATOM 1501 C GLN A 99 9.603 2.462 -9.277 1.00 0.00 C ATOM 1502 O GLN A 99 9.666 2.364 -10.501 1.00 0.00 O ATOM 1503 CB GLN A 99 7.889 4.126 -8.469 1.00 0.00 C ATOM 1504 CG GLN A 99 7.221 3.131 -7.518 1.00 0.00 C ATOM 1505 CD GLN A 99 5.827 2.746 -8.017 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.848 3.499 -7.522 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.651 1.827 -8.800 1.00 0.00 N flip ATOM 0 H GLN A 99 9.562 5.156 -10.227 1.00 0.00 H new ATOM 0 HA GLN A 99 9.814 3.797 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.754 5.140 -8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.407 4.081 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.839 2.237 -7.429 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.147 3.568 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.447 1.288 -9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.708 1.597 -9.113 1.00 0.00 H new ATOM 1516 N GLY A 100 9.715 1.445 -8.436 1.00 0.00 N ATOM 1517 CA GLY A 100 9.929 0.092 -8.921 1.00 0.00 C ATOM 1518 C GLY A 100 8.664 -0.754 -8.761 1.00 0.00 C ATOM 1519 O GLY A 100 7.554 -0.223 -8.758 1.00 0.00 O ATOM 0 H GLY A 100 9.662 1.531 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.222 0.120 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.751 -0.369 -8.373 1.00 0.00 H new ATOM 1523 N GLN A 101 8.874 -2.056 -8.632 1.00 0.00 N ATOM 1524 CA GLN A 101 7.764 -2.980 -8.472 1.00 0.00 C ATOM 1525 C GLN A 101 6.804 -2.475 -7.394 1.00 0.00 C ATOM 1526 O GLN A 101 7.058 -1.451 -6.761 1.00 0.00 O ATOM 1527 CB GLN A 101 8.266 -4.387 -8.143 1.00 0.00 C ATOM 1528 CG GLN A 101 7.544 -5.439 -8.988 1.00 0.00 C ATOM 1529 CD GLN A 101 8.530 -6.467 -9.545 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.584 -6.137 -10.064 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.131 -7.729 -9.409 1.00 0.00 N ATOM 0 H GLN A 101 9.796 -2.493 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 101 7.223 -3.034 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.339 -4.445 -8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.108 -4.595 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.791 -5.943 -8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.018 -4.952 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.237 -7.936 -8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.720 -8.489 -9.749 1.00 0.00 H new ATOM 1540 N VAL A 102 5.720 -3.216 -7.217 1.00 0.00 N ATOM 1541 CA VAL A 102 4.720 -2.856 -6.226 1.00 0.00 C ATOM 1542 C VAL A 102 4.144 -4.129 -5.603 1.00 0.00 C ATOM 1543 O VAL A 102 3.915 -5.117 -6.299 1.00 0.00 O ATOM 1544 CB VAL A 102 3.650 -1.965 -6.862 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.514 -2.806 -7.447 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.116 -0.946 -5.854 1.00 0.00 C ATOM 0 H VAL A 102 5.512 -4.065 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 102 5.172 -2.276 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 102 4.114 -1.414 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.767 -2.149 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.912 -3.474 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.052 -3.395 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.357 -0.326 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.676 -1.470 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.934 -0.315 -5.506 1.00 0.00 H new ATOM 1556 N SER A 103 3.928 -4.065 -4.297 1.00 0.00 N ATOM 1557 CA SER A 103 3.383 -5.200 -3.572 1.00 0.00 C ATOM 1558 C SER A 103 1.906 -4.959 -3.254 1.00 0.00 C ATOM 1559 O SER A 103 1.581 -4.215 -2.329 1.00 0.00 O ATOM 1560 CB SER A 103 4.168 -5.459 -2.285 1.00 0.00 C ATOM 1561 OG SER A 103 5.149 -6.480 -2.454 1.00 0.00 O ATOM 0 H SER A 103 4.121 -3.245 -3.722 1.00 0.00 H new ATOM 0 HA SER A 103 3.472 -6.084 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.655 -4.538 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.478 -5.747 -1.491 1.00 0.00 H new ATOM 0 HG SER A 103 5.630 -6.615 -1.611 1.00 0.00 H new ATOM 1567 N ALA A 104 1.052 -5.601 -4.037 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.382 -5.465 -3.850 1.00 0.00 C ATOM 1569 C ALA A 104 -0.909 -6.676 -3.079 1.00 0.00 C ATOM 1570 O ALA A 104 -0.808 -7.808 -3.550 1.00 0.00 O ATOM 1571 CB ALA A 104 -1.061 -5.300 -5.211 1.00 0.00 C ATOM 0 H ALA A 104 1.326 -6.217 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.609 -4.576 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.137 -5.198 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.673 -4.409 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.857 -6.175 -5.828 1.00 0.00 H new ATOM 1577 N SER A 105 -1.459 -6.398 -1.906 1.00 0.00 N ATOM 1578 CA SER A 105 -2.002 -7.451 -1.065 1.00 0.00 C ATOM 1579 C SER A 105 -3.498 -7.223 -0.841 1.00 0.00 C ATOM 1580 O SER A 105 -3.909 -6.140 -0.428 1.00 0.00 O ATOM 1581 CB SER A 105 -1.268 -7.518 0.276 1.00 0.00 C ATOM 1582 OG SER A 105 -0.640 -8.781 0.478 1.00 0.00 O ATOM 0 H SER A 105 -1.540 -5.458 -1.518 1.00 0.00 H new ATOM 0 HA SER A 105 -1.859 -8.404 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.517 -6.729 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.974 -7.330 1.085 1.00 0.00 H new ATOM 0 HG SER A 105 -0.181 -8.783 1.344 1.00 0.00 H new ATOM 1588 N THR A 106 -4.271 -8.262 -1.122 1.00 0.00 N ATOM 1589 CA THR A 106 -5.712 -8.188 -0.956 1.00 0.00 C ATOM 1590 C THR A 106 -6.086 -8.319 0.522 1.00 0.00 C ATOM 1591 O THR A 106 -5.578 -9.195 1.219 1.00 0.00 O ATOM 1592 CB THR A 106 -6.346 -9.264 -1.841 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.443 -9.388 -2.936 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.652 -8.797 -2.485 1.00 0.00 C ATOM 0 H THR A 106 -3.926 -9.159 -1.463 1.00 0.00 H new ATOM 0 HA THR A 106 -6.097 -7.218 -1.272 1.00 0.00 H new ATOM 0 HB THR A 106 -6.534 -10.158 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.323 -8.513 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.060 -9.598 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.369 -8.538 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.459 -7.922 -3.106 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.973 -7.435 0.956 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.421 -7.441 2.338 1.00 0.00 C ATOM 1604 C ILE A 107 -8.880 -6.985 2.398 1.00 0.00 C ATOM 1605 O ILE A 107 -9.249 -5.989 1.778 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.479 -6.607 3.210 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -7.025 -6.473 4.633 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.203 -5.244 2.571 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.899 -7.794 5.395 1.00 0.00 C ATOM 0 H ILE A 107 -7.393 -6.710 0.375 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.385 -8.451 2.746 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.525 -7.129 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.482 -5.690 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.071 -6.168 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.531 -4.672 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.740 -5.387 1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.141 -4.701 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.294 -7.671 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.463 -8.569 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.850 -8.084 5.449 1.00 0.00 H new ATOM 1621 N SER A 108 -9.670 -7.736 3.152 1.00 0.00 N ATOM 1622 CA SER A 108 -11.081 -7.421 3.302 1.00 0.00 C ATOM 1623 C SER A 108 -11.320 -6.710 4.635 1.00 0.00 C ATOM 1624 O SER A 108 -11.044 -7.265 5.697 1.00 0.00 O ATOM 1625 CB SER A 108 -11.939 -8.685 3.213 1.00 0.00 C ATOM 1626 OG SER A 108 -13.199 -8.521 3.858 1.00 0.00 O ATOM 0 H SER A 108 -9.360 -8.561 3.665 1.00 0.00 H new ATOM 0 HA SER A 108 -11.372 -6.758 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.098 -8.942 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.404 -9.519 3.668 1.00 0.00 H new ATOM 0 HG SER A 108 -13.718 -9.349 3.778 1.00 0.00 H new ATOM 1632 N SER A 109 -11.831 -5.491 4.536 1.00 0.00 N ATOM 1633 CA SER A 109 -12.110 -4.698 5.721 1.00 0.00 C ATOM 1634 C SER A 109 -12.661 -5.594 6.832 1.00 0.00 C ATOM 1635 O SER A 109 -13.369 -6.562 6.560 1.00 0.00 O ATOM 1636 CB SER A 109 -13.097 -3.571 5.409 1.00 0.00 C ATOM 1637 OG SER A 109 -14.288 -4.058 4.798 1.00 0.00 O ATOM 0 H SER A 109 -12.059 -5.034 3.653 1.00 0.00 H new ATOM 0 HA SER A 109 -11.177 -4.245 6.057 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.351 -3.046 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.622 -2.845 4.749 1.00 0.00 H new ATOM 0 HG SER A 109 -14.795 -3.307 4.426 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.315 -5.239 8.060 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.766 -5.999 9.214 1.00 0.00 C ATOM 1645 C GLY A 110 -14.294 -6.014 9.297 1.00 0.00 C ATOM 1646 O GLY A 110 -14.943 -6.874 8.704 1.00 0.00 O ATOM 0 H GLY A 110 -11.728 -4.435 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.392 -7.021 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.353 -5.564 10.124 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.824 -5.052 10.038 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.263 -4.944 10.207 1.00 0.00 C ATOM 1652 C VAL A 111 -16.583 -3.697 11.034 1.00 0.00 C ATOM 1653 O VAL A 111 -15.863 -3.371 11.976 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.816 -6.230 10.825 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -16.166 -6.509 12.182 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.339 -6.168 10.949 1.00 0.00 C ATOM 0 H VAL A 111 -14.282 -4.340 10.528 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.753 -4.828 9.240 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.568 -7.056 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.576 -7.428 12.600 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.089 -6.618 12.054 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.369 -5.680 12.860 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.706 -7.094 11.391 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.618 -5.327 11.584 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.780 -6.038 9.960 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.694 -3.017 10.642 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.118 -1.814 11.337 1.00 0.00 C ATOM 1668 C PRO A 112 -18.761 -2.155 12.683 1.00 0.00 C ATOM 1669 O PRO A 112 -19.683 -2.967 12.746 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.076 -1.124 10.379 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.512 -2.189 9.386 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.571 -3.374 9.531 1.00 0.00 C ATOM 0 HA PRO A 112 -17.285 -1.158 11.589 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.933 -0.713 10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.588 -0.292 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.541 -2.493 9.579 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.480 -1.799 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -19.120 -4.292 9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.003 -3.543 8.616 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.234 -1.502 13.753 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.746 -1.728 15.094 1.00 0.00 C ATOM 1682 C PRO A 113 -20.096 -1.034 15.290 1.00 0.00 C ATOM 1683 O PRO A 113 -20.884 -1.432 16.145 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.666 -1.198 16.022 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.802 -0.278 15.174 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.142 -0.534 13.715 1.00 0.00 C ATOM 0 HA PRO A 113 -18.945 -2.780 15.296 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.103 -0.658 16.862 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.075 -2.013 16.440 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.987 0.765 15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.745 -0.469 15.359 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.444 0.384 13.212 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.283 -0.927 13.171 1.00 0.00 H new