USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 765 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 91 ASN : amide:sc= -1.2 K(o=-1.2,f=-6!) USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 ASN :FLIP amide:sc= 0.516 F(o=-0.44,f=0.42) USER MOD Set 2.2: A 34 SER OG : rot -139:sc= -0.0972 USER MOD Set 3.1: A 23 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Set 3.2: A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -54:sc= 0.0704 USER MOD Single : A 26 SER OG : rot 65:sc= 1.22 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -154:sc= -0.0944 (180deg=-0.584) USER MOD Single : A 38 HIS : no HD1:sc= -2.95! C(o=-3!,f=-5.7!) USER MOD Single : A 40 GLN : amide:sc= -4.35! C(o=-4.4!,f=-4.7!) USER MOD Single : A 46 THR OG1 : rot 10:sc= 0.575 USER MOD Single : A 47 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.3) USER MOD Single : A 48 ASN : amide:sc= -0.673 K(o=-0.67,f=-1.3!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -41:sc= 0.25 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0269 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -20:sc= 0.426 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.631 F(o=-2.1,f=-0.63) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -6.13! C(o=-6.1!,f=-12!) USER MOD Single : A 88 THR OG1 : rot 72:sc= 0.281 USER MOD Single : A 90 TYR OH : rot 120:sc= 0.664 USER MOD Single : A 98 THR OG1 : rot 132:sc= -0.92 USER MOD Single : A 100 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 100:sc= 0.968 USER MOD Single : A 113 THR OG1 : rot -159:sc= 0.0755 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0497 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -3.868 12.733 -4.318 1.00 0.00 N ATOM 201 CA VAL A 17 -3.465 11.344 -4.137 1.00 0.00 C ATOM 202 C VAL A 17 -2.752 10.813 -5.376 1.00 0.00 C ATOM 203 O VAL A 17 -2.948 11.297 -6.491 1.00 0.00 O ATOM 204 CB VAL A 17 -4.676 10.443 -3.829 1.00 0.00 C ATOM 205 CG1 VAL A 17 -5.107 10.605 -2.380 1.00 0.00 C ATOM 206 CG2 VAL A 17 -5.826 10.757 -4.774 1.00 0.00 C ATOM 0 HA VAL A 17 -2.780 11.321 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.383 9.404 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.964 9.961 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.283 10.327 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.383 11.643 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.673 10.112 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.121 11.800 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.509 10.585 -5.803 1.00 0.00 H new ATOM 216 N PRO A 18 -1.905 9.792 -5.179 1.00 0.00 N ATOM 217 CA PRO A 18 -1.146 9.171 -6.269 1.00 0.00 C ATOM 218 C PRO A 18 -2.038 8.376 -7.217 1.00 0.00 C ATOM 219 O PRO A 18 -3.029 7.779 -6.797 1.00 0.00 O ATOM 220 CB PRO A 18 -0.176 8.238 -5.539 1.00 0.00 C ATOM 221 CG PRO A 18 -0.848 7.930 -4.246 1.00 0.00 C ATOM 222 CD PRO A 18 -1.623 9.164 -3.877 1.00 0.00 C ATOM 0 HA PRO A 18 -0.654 9.913 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.010 7.331 -6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.790 8.717 -5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.509 7.069 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.117 7.683 -3.476 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.541 8.917 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.045 9.823 -3.230 1.00 0.00 H new ATOM 230 N SER A 19 -1.678 8.373 -8.496 1.00 0.00 N ATOM 231 CA SER A 19 -2.448 7.654 -9.504 1.00 0.00 C ATOM 232 C SER A 19 -1.567 6.657 -10.252 1.00 0.00 C ATOM 233 O SER A 19 -1.697 6.484 -11.463 1.00 0.00 O ATOM 234 CB SER A 19 -3.077 8.637 -10.493 1.00 0.00 C ATOM 235 OG SER A 19 -4.143 8.033 -11.205 1.00 0.00 O ATOM 0 H SER A 19 -0.859 8.860 -8.859 1.00 0.00 H new ATOM 0 HA SER A 19 -3.240 7.104 -8.996 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.444 9.512 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.319 8.987 -11.194 1.00 0.00 H new ATOM 0 HG SER A 19 -3.828 7.205 -11.625 1.00 0.00 H new ATOM 241 N ALA A 20 -0.672 6.003 -9.519 1.00 0.00 N ATOM 242 CA ALA A 20 0.230 5.022 -10.111 1.00 0.00 C ATOM 243 C ALA A 20 0.107 3.672 -9.413 1.00 0.00 C ATOM 244 O ALA A 20 0.508 3.521 -8.259 1.00 0.00 O ATOM 245 CB ALA A 20 1.666 5.521 -10.051 1.00 0.00 C ATOM 0 H ALA A 20 -0.552 6.134 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.053 4.889 -11.155 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.328 4.778 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.749 6.458 -10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.951 5.685 -9.012 1.00 0.00 H new ATOM 251 N ALA A 21 -0.451 2.694 -10.119 1.00 0.00 N ATOM 252 CA ALA A 21 -0.625 1.357 -9.566 1.00 0.00 C ATOM 253 C ALA A 21 0.535 0.447 -9.956 1.00 0.00 C ATOM 254 O ALA A 21 1.247 0.691 -10.930 1.00 0.00 O ATOM 255 CB ALA A 21 -1.945 0.761 -10.033 1.00 0.00 C ATOM 0 H ALA A 21 -0.790 2.803 -11.075 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.640 1.439 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.062 -0.238 -9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.768 1.394 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.952 0.700 -11.121 1.00 0.00 H new ATOM 261 N PRO A 22 0.732 -0.628 -9.177 1.00 0.00 N ATOM 262 CA PRO A 22 1.806 -1.596 -9.421 1.00 0.00 C ATOM 263 C PRO A 22 1.562 -2.427 -10.676 1.00 0.00 C ATOM 264 O PRO A 22 0.438 -2.855 -10.939 1.00 0.00 O ATOM 265 CB PRO A 22 1.772 -2.485 -8.176 1.00 0.00 C ATOM 266 CG PRO A 22 0.374 -2.377 -7.671 1.00 0.00 C ATOM 267 CD PRO A 22 -0.078 -0.980 -7.999 1.00 0.00 C ATOM 0 HA PRO A 22 2.766 -1.107 -9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.026 -3.517 -8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.490 -2.147 -7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.271 -3.117 -8.145 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.332 -2.559 -6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.145 -0.944 -8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.099 -0.295 -7.170 1.00 0.00 H new ATOM 275 N GLN A 23 2.622 -2.653 -11.446 1.00 0.00 N ATOM 276 CA GLN A 23 2.521 -3.434 -12.673 1.00 0.00 C ATOM 277 C GLN A 23 3.081 -4.838 -12.472 1.00 0.00 C ATOM 278 O GLN A 23 3.476 -5.207 -11.367 1.00 0.00 O ATOM 279 CB GLN A 23 3.266 -2.733 -13.811 1.00 0.00 C ATOM 280 CG GLN A 23 4.509 -1.986 -13.355 1.00 0.00 C ATOM 281 CD GLN A 23 5.354 -1.498 -14.515 1.00 0.00 C ATOM 282 OE1 GLN A 23 5.675 -2.258 -15.428 1.00 0.00 O ATOM 283 NE2 GLN A 23 5.721 -0.222 -14.484 1.00 0.00 N ATOM 0 H GLN A 23 3.559 -2.307 -11.242 1.00 0.00 H new ATOM 0 HA GLN A 23 1.466 -3.517 -12.935 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.551 -3.474 -14.558 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.589 -2.032 -14.299 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.212 -1.134 -12.743 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.110 -2.640 -12.722 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.432 0.373 -13.707 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.291 0.163 -15.237 1.00 0.00 H new ATOM 292 N ASN A 24 3.111 -5.617 -13.548 1.00 0.00 N ATOM 293 CA ASN A 24 3.622 -6.982 -13.490 1.00 0.00 C ATOM 294 C ASN A 24 3.023 -7.737 -12.307 1.00 0.00 C ATOM 295 O ASN A 24 3.719 -8.479 -11.613 1.00 0.00 O ATOM 296 CB ASN A 24 5.148 -6.974 -13.383 1.00 0.00 C ATOM 297 CG ASN A 24 5.822 -6.956 -14.742 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.388 -7.958 -15.180 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.765 -5.813 -15.415 1.00 0.00 N ATOM 0 H ASN A 24 2.788 -5.327 -14.471 1.00 0.00 H new ATOM 0 HA ASN A 24 3.331 -7.491 -14.409 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.465 -6.102 -12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.476 -7.854 -12.829 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.201 -5.740 -16.334 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.285 -5.008 -15.013 1.00 0.00 H new ATOM 306 N LEU A 25 1.728 -7.543 -12.083 1.00 0.00 N ATOM 307 CA LEU A 25 1.033 -8.205 -10.984 1.00 0.00 C ATOM 308 C LEU A 25 0.951 -9.710 -11.221 1.00 0.00 C ATOM 309 O LEU A 25 1.035 -10.175 -12.357 1.00 0.00 O ATOM 310 CB LEU A 25 -0.373 -7.625 -10.820 1.00 0.00 C ATOM 311 CG LEU A 25 -1.223 -8.232 -9.704 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.672 -7.842 -8.341 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.674 -7.795 -9.840 1.00 0.00 C ATOM 0 H LEU A 25 1.138 -6.932 -12.648 1.00 0.00 H new ATOM 0 HA LEU A 25 1.600 -8.030 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.284 -6.554 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.907 -7.746 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.182 -9.318 -9.792 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.290 -8.283 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.351 -8.206 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.681 -6.757 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.264 -8.237 -9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.734 -6.708 -9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.065 -8.126 -10.802 1.00 0.00 H new ATOM 325 N SER A 26 0.783 -10.465 -10.140 1.00 0.00 N ATOM 326 CA SER A 26 0.691 -11.918 -10.229 1.00 0.00 C ATOM 327 C SER A 26 0.330 -12.523 -8.876 1.00 0.00 C ATOM 328 O SER A 26 0.515 -11.896 -7.833 1.00 0.00 O ATOM 329 CB SER A 26 2.013 -12.504 -10.728 1.00 0.00 C ATOM 330 OG SER A 26 2.091 -12.456 -12.142 1.00 0.00 O ATOM 0 H SER A 26 0.708 -10.095 -9.192 1.00 0.00 H new ATOM 0 HA SER A 26 -0.098 -12.165 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.846 -11.950 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.107 -13.536 -10.390 1.00 0.00 H new ATOM 0 HG SER A 26 2.104 -11.522 -12.437 1.00 0.00 H new ATOM 336 N LEU A 27 -0.186 -13.747 -8.902 1.00 0.00 N ATOM 337 CA LEU A 27 -0.573 -14.440 -7.678 1.00 0.00 C ATOM 338 C LEU A 27 0.046 -15.833 -7.621 1.00 0.00 C ATOM 339 O LEU A 27 -0.398 -16.748 -8.314 1.00 0.00 O ATOM 340 CB LEU A 27 -2.096 -14.542 -7.586 1.00 0.00 C ATOM 341 CG LEU A 27 -2.873 -13.253 -7.857 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.303 -13.567 -8.265 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.852 -12.350 -6.631 1.00 0.00 C ATOM 0 H LEU A 27 -0.346 -14.280 -9.757 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.202 -13.863 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.433 -15.301 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.357 -14.897 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.390 -12.727 -8.680 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.840 -12.637 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.298 -14.173 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.798 -14.116 -7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.410 -11.437 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.310 -12.869 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.821 -12.096 -6.384 1.00 0.00 H new ATOM 355 N GLU A 28 1.072 -15.986 -6.790 1.00 0.00 N ATOM 356 CA GLU A 28 1.750 -17.269 -6.643 1.00 0.00 C ATOM 357 C GLU A 28 1.038 -18.146 -5.617 1.00 0.00 C ATOM 358 O GLU A 28 1.442 -18.216 -4.456 1.00 0.00 O ATOM 359 CB GLU A 28 3.206 -17.056 -6.225 1.00 0.00 C ATOM 360 CG GLU A 28 4.041 -18.325 -6.258 1.00 0.00 C ATOM 361 CD GLU A 28 4.495 -18.688 -7.659 1.00 0.00 C ATOM 362 OE1 GLU A 28 5.139 -17.841 -8.312 1.00 0.00 O ATOM 363 OE2 GLU A 28 4.206 -19.820 -8.101 1.00 0.00 O ATOM 0 H GLU A 28 1.452 -15.239 -6.209 1.00 0.00 H new ATOM 0 HA GLU A 28 1.727 -17.776 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.660 -16.316 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.229 -16.642 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.914 -18.198 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.460 -19.149 -5.843 1.00 0.00 H new ATOM 370 N VAL A 29 -0.025 -18.814 -6.055 1.00 0.00 N ATOM 371 CA VAL A 29 -0.794 -19.687 -5.176 1.00 0.00 C ATOM 372 C VAL A 29 0.109 -20.699 -4.480 1.00 0.00 C ATOM 373 O VAL A 29 0.321 -21.805 -4.980 1.00 0.00 O ATOM 374 CB VAL A 29 -1.889 -20.442 -5.953 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.651 -21.379 -5.028 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.835 -19.460 -6.628 1.00 0.00 C ATOM 0 H VAL A 29 -0.373 -18.767 -7.013 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.264 -19.049 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.412 -21.043 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.420 -21.904 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.961 -22.104 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.118 -20.802 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.602 -20.010 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.306 -18.831 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.275 -18.834 -7.323 1.00 0.00 H new ATOM 386 N ARG A 30 0.639 -20.315 -3.324 1.00 0.00 N ATOM 387 CA ARG A 30 1.520 -21.188 -2.558 1.00 0.00 C ATOM 388 C ARG A 30 0.823 -22.503 -2.221 1.00 0.00 C ATOM 389 O ARG A 30 1.329 -23.582 -2.527 1.00 0.00 O ATOM 390 CB ARG A 30 1.972 -20.493 -1.273 1.00 0.00 C ATOM 391 CG ARG A 30 2.987 -19.386 -1.503 1.00 0.00 C ATOM 392 CD ARG A 30 4.325 -19.944 -1.963 1.00 0.00 C ATOM 393 NE ARG A 30 4.936 -20.803 -0.952 1.00 0.00 N ATOM 394 CZ ARG A 30 5.612 -20.341 0.094 1.00 0.00 C ATOM 395 NH1 ARG A 30 5.762 -19.035 0.266 1.00 0.00 N ATOM 396 NH2 ARG A 30 6.139 -21.186 0.970 1.00 0.00 N ATOM 0 H ARG A 30 0.473 -19.404 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 30 2.395 -21.407 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.100 -20.076 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.403 -21.235 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.605 -18.690 -2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.125 -18.820 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.184 -20.511 -2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.001 -19.121 -2.196 1.00 0.00 H new ATOM 0 HE ARG A 30 4.838 -21.813 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.358 -18.382 -0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.282 -18.683 1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.025 -22.191 0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.658 -20.830 1.773 1.00 0.00 H new ATOM 410 N ASN A 31 -0.341 -22.404 -1.588 1.00 0.00 N ATOM 411 CA ASN A 31 -1.108 -23.585 -1.208 1.00 0.00 C ATOM 412 C ASN A 31 -2.584 -23.408 -1.547 1.00 0.00 C ATOM 413 O ASN A 31 -2.985 -22.390 -2.111 1.00 0.00 O ATOM 414 CB ASN A 31 -0.946 -23.864 0.288 1.00 0.00 C ATOM 415 CG ASN A 31 0.507 -24.010 0.695 1.00 0.00 C ATOM 416 OD1 ASN A 31 0.922 -23.239 1.694 1.00 0.00 O flip ATOM 417 ND2 ASN A 31 1.248 -24.806 0.119 1.00 0.00 N flip ATOM 0 H ASN A 31 -0.774 -21.518 -1.327 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.724 -24.434 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.400 -23.053 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.486 -24.775 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.887 -25.379 -0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.223 -24.893 0.404 1.00 0.00 H new ATOM 424 N SER A 32 -3.390 -24.406 -1.199 1.00 0.00 N ATOM 425 CA SER A 32 -4.822 -24.363 -1.469 1.00 0.00 C ATOM 426 C SER A 32 -5.529 -23.417 -0.502 1.00 0.00 C ATOM 427 O SER A 32 -6.549 -22.816 -0.837 1.00 0.00 O ATOM 428 CB SER A 32 -5.426 -25.765 -1.362 1.00 0.00 C ATOM 429 OG SER A 32 -5.373 -26.242 -0.029 1.00 0.00 O ATOM 0 H SER A 32 -3.075 -25.255 -0.729 1.00 0.00 H new ATOM 0 HA SER A 32 -4.964 -23.991 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.461 -25.746 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.886 -26.448 -2.018 1.00 0.00 H new ATOM 0 HG SER A 32 -5.766 -27.139 0.013 1.00 0.00 H new ATOM 435 N LYS A 33 -4.978 -23.291 0.700 1.00 0.00 N ATOM 436 CA LYS A 33 -5.552 -22.419 1.718 1.00 0.00 C ATOM 437 C LYS A 33 -4.790 -21.100 1.797 1.00 0.00 C ATOM 438 O LYS A 33 -5.271 -20.128 2.379 1.00 0.00 O ATOM 439 CB LYS A 33 -5.536 -23.112 3.082 1.00 0.00 C ATOM 440 CG LYS A 33 -4.155 -23.187 3.709 1.00 0.00 C ATOM 441 CD LYS A 33 -4.235 -23.283 5.224 1.00 0.00 C ATOM 442 CE LYS A 33 -2.988 -22.717 5.885 1.00 0.00 C ATOM 443 NZ LYS A 33 -2.758 -23.307 7.233 1.00 0.00 N ATOM 0 H LYS A 33 -4.134 -23.782 0.994 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.584 -22.206 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.205 -22.580 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.931 -24.122 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.623 -24.053 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.579 -22.305 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.113 -22.743 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.362 -24.325 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.122 -22.910 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.083 -21.635 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.899 -22.895 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.573 -23.102 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.641 -24.337 7.146 1.00 0.00 H new ATOM 457 N SER A 34 -3.600 -21.073 1.206 1.00 0.00 N ATOM 458 CA SER A 34 -2.770 -19.874 1.212 1.00 0.00 C ATOM 459 C SER A 34 -2.471 -19.413 -0.211 1.00 0.00 C ATOM 460 O SER A 34 -2.217 -20.228 -1.098 1.00 0.00 O ATOM 461 CB SER A 34 -1.462 -20.137 1.960 1.00 0.00 C ATOM 462 OG SER A 34 -0.590 -20.949 1.193 1.00 0.00 O ATOM 0 H SER A 34 -3.189 -21.868 0.717 1.00 0.00 H new ATOM 0 HA SER A 34 -3.320 -19.084 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.974 -19.190 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.675 -20.625 2.911 1.00 0.00 H new ATOM 0 HG SER A 34 -0.162 -21.611 1.776 1.00 0.00 H new ATOM 468 N ILE A 35 -2.505 -18.101 -0.421 1.00 0.00 N ATOM 469 CA ILE A 35 -2.237 -17.531 -1.735 1.00 0.00 C ATOM 470 C ILE A 35 -1.310 -16.324 -1.632 1.00 0.00 C ATOM 471 O ILE A 35 -1.688 -15.283 -1.096 1.00 0.00 O ATOM 472 CB ILE A 35 -3.538 -17.106 -2.440 1.00 0.00 C ATOM 473 CG1 ILE A 35 -4.419 -18.327 -2.712 1.00 0.00 C ATOM 474 CG2 ILE A 35 -3.224 -16.374 -3.736 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.837 -17.974 -3.103 1.00 0.00 C ATOM 0 H ILE A 35 -2.716 -17.413 0.302 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.752 -18.310 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.083 -16.427 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.968 -18.920 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.442 -18.954 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.154 -16.080 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.632 -15.485 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.660 -17.032 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.404 -18.888 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.306 -17.407 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.825 -17.372 -4.012 1.00 0.00 H new ATOM 487 N MET A 36 -0.096 -16.472 -2.151 1.00 0.00 N ATOM 488 CA MET A 36 0.885 -15.393 -2.121 1.00 0.00 C ATOM 489 C MET A 36 0.649 -14.412 -3.265 1.00 0.00 C ATOM 490 O MET A 36 0.261 -14.809 -4.364 1.00 0.00 O ATOM 491 CB MET A 36 2.303 -15.961 -2.204 1.00 0.00 C ATOM 492 CG MET A 36 3.375 -14.896 -2.367 1.00 0.00 C ATOM 493 SD MET A 36 4.965 -15.400 -1.681 1.00 0.00 S ATOM 494 CE MET A 36 5.002 -14.436 -0.171 1.00 0.00 C ATOM 0 H MET A 36 0.232 -17.328 -2.597 1.00 0.00 H new ATOM 0 HA MET A 36 0.771 -14.858 -1.178 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.508 -16.537 -1.302 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.360 -16.654 -3.044 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.497 -14.667 -3.426 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.047 -13.978 -1.878 1.00 0.00 H new ATOM 0 HE1 MET A 36 6.037 -14.261 0.124 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.506 -13.480 -0.337 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.486 -14.980 0.621 1.00 0.00 H new ATOM 504 N ILE A 37 0.886 -13.132 -2.999 1.00 0.00 N ATOM 505 CA ILE A 37 0.700 -12.096 -4.008 1.00 0.00 C ATOM 506 C ILE A 37 2.021 -11.412 -4.342 1.00 0.00 C ATOM 507 O ILE A 37 2.780 -11.032 -3.450 1.00 0.00 O ATOM 508 CB ILE A 37 -0.312 -11.033 -3.542 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.465 -11.693 -2.783 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.838 -10.245 -4.733 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.337 -10.709 -2.034 1.00 0.00 C ATOM 0 H ILE A 37 1.207 -12.787 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 37 0.313 -12.589 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 37 0.194 -10.342 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.082 -12.249 -3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.058 -12.416 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.552 -9.497 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.008 -9.749 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.331 -10.924 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.133 -11.247 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.733 -10.170 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.774 -10.001 -2.738 1.00 0.00 H new ATOM 523 N HIS A 38 2.290 -11.255 -5.635 1.00 0.00 N ATOM 524 CA HIS A 38 3.519 -10.614 -6.088 1.00 0.00 C ATOM 525 C HIS A 38 3.210 -9.454 -7.030 1.00 0.00 C ATOM 526 O HIS A 38 2.576 -9.637 -8.069 1.00 0.00 O ATOM 527 CB HIS A 38 4.420 -11.630 -6.790 1.00 0.00 C ATOM 528 CG HIS A 38 5.009 -12.649 -5.864 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.258 -12.516 -5.295 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.512 -13.822 -5.407 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.505 -13.564 -4.530 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.460 -14.371 -4.579 1.00 0.00 N ATOM 0 H HIS A 38 1.673 -11.563 -6.387 1.00 0.00 H new ATOM 0 HA HIS A 38 4.039 -10.222 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.844 -12.142 -7.561 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.228 -11.100 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.549 -14.247 -5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.408 -13.733 -3.961 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.372 -15.258 -4.083 1.00 0.00 H new ATOM 541 N TRP A 39 3.662 -8.261 -6.659 1.00 0.00 N ATOM 542 CA TRP A 39 3.433 -7.071 -7.470 1.00 0.00 C ATOM 543 C TRP A 39 4.681 -6.197 -7.519 1.00 0.00 C ATOM 544 O TRP A 39 5.528 -6.259 -6.628 1.00 0.00 O ATOM 545 CB TRP A 39 2.255 -6.268 -6.914 1.00 0.00 C ATOM 546 CG TRP A 39 2.514 -5.699 -5.552 1.00 0.00 C ATOM 547 CD1 TRP A 39 2.963 -4.443 -5.260 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.342 -6.367 -4.298 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.080 -4.289 -3.900 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.705 -5.455 -3.287 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.916 -7.646 -3.929 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.654 -5.784 -1.935 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.866 -7.971 -2.587 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.233 -7.043 -1.603 1.00 0.00 C ATOM 0 H TRP A 39 4.189 -8.092 -5.802 1.00 0.00 H new ATOM 0 HA TRP A 39 3.198 -7.393 -8.484 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.022 -5.455 -7.601 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.375 -6.910 -6.870 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.193 -3.682 -5.991 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.395 -3.444 -3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.631 -8.368 -4.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.937 -5.071 -1.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.539 -8.957 -2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.183 -7.327 -0.562 1.00 0.00 H new ATOM 565 N GLN A 40 4.789 -5.385 -8.565 1.00 0.00 N ATOM 566 CA GLN A 40 5.936 -4.499 -8.729 1.00 0.00 C ATOM 567 C GLN A 40 5.521 -3.039 -8.583 1.00 0.00 C ATOM 568 O GLN A 40 4.403 -2.649 -8.919 1.00 0.00 O ATOM 569 CB GLN A 40 6.588 -4.722 -10.095 1.00 0.00 C ATOM 570 CG GLN A 40 7.367 -6.024 -10.192 1.00 0.00 C ATOM 571 CD GLN A 40 6.661 -7.178 -9.507 1.00 0.00 C ATOM 572 OE1 GLN A 40 5.717 -7.753 -10.049 1.00 0.00 O ATOM 573 NE2 GLN A 40 7.117 -7.523 -8.308 1.00 0.00 N ATOM 0 H GLN A 40 4.097 -5.322 -9.312 1.00 0.00 H new ATOM 0 HA GLN A 40 6.658 -4.732 -7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.815 -4.713 -10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.259 -3.890 -10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.525 -6.271 -11.242 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.352 -5.888 -9.745 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.902 -7.019 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.682 -8.292 -7.799 1.00 0.00 H new ATOM 582 N PRO A 41 6.442 -2.210 -8.068 1.00 0.00 N ATOM 583 CA PRO A 41 6.195 -0.780 -7.866 1.00 0.00 C ATOM 584 C PRO A 41 6.100 -0.016 -9.182 1.00 0.00 C ATOM 585 O PRO A 41 6.795 -0.315 -10.153 1.00 0.00 O ATOM 586 CB PRO A 41 7.416 -0.318 -7.066 1.00 0.00 C ATOM 587 CG PRO A 41 8.488 -1.291 -7.418 1.00 0.00 C ATOM 588 CD PRO A 41 7.796 -2.606 -7.646 1.00 0.00 C ATOM 0 HA PRO A 41 5.245 -0.598 -7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.702 0.700 -7.332 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.213 -0.323 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.025 -0.973 -8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.222 -1.370 -6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.299 -3.197 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.774 -3.211 -6.740 1.00 0.00 H new ATOM 596 N PRO A 42 5.221 0.996 -9.218 1.00 0.00 N ATOM 597 CA PRO A 42 5.015 1.825 -10.410 1.00 0.00 C ATOM 598 C PRO A 42 6.211 2.725 -10.703 1.00 0.00 C ATOM 599 O PRO A 42 7.115 2.859 -9.880 1.00 0.00 O ATOM 600 CB PRO A 42 3.788 2.666 -10.050 1.00 0.00 C ATOM 601 CG PRO A 42 3.792 2.723 -8.561 1.00 0.00 C ATOM 602 CD PRO A 42 4.359 1.410 -8.098 1.00 0.00 C ATOM 0 HA PRO A 42 4.886 1.222 -11.309 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.850 3.664 -10.485 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.872 2.211 -10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.397 3.557 -8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.784 2.871 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.926 1.521 -7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.574 0.679 -7.904 1.00 0.00 H new ATOM 610 N ALA A 43 6.208 3.339 -11.881 1.00 0.00 N ATOM 611 CA ALA A 43 7.292 4.228 -12.282 1.00 0.00 C ATOM 612 C ALA A 43 7.507 5.330 -11.250 1.00 0.00 C ATOM 613 O ALA A 43 6.583 5.752 -10.554 1.00 0.00 O ATOM 614 CB ALA A 43 7.002 4.831 -13.648 1.00 0.00 C ATOM 0 H ALA A 43 5.467 3.237 -12.575 1.00 0.00 H new ATOM 0 HA ALA A 43 8.208 3.640 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.820 5.493 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.905 4.033 -14.385 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.073 5.400 -13.605 1.00 0.00 H new ATOM 620 N PRO A 44 8.756 5.809 -11.147 1.00 0.00 N ATOM 621 CA PRO A 44 9.122 6.869 -10.202 1.00 0.00 C ATOM 622 C PRO A 44 8.531 8.220 -10.589 1.00 0.00 C ATOM 623 O PRO A 44 8.084 8.981 -9.732 1.00 0.00 O ATOM 624 CB PRO A 44 10.649 6.909 -10.288 1.00 0.00 C ATOM 625 CG PRO A 44 10.967 6.377 -11.643 1.00 0.00 C ATOM 626 CD PRO A 44 9.907 5.353 -11.945 1.00 0.00 C ATOM 0 HA PRO A 44 8.743 6.670 -9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.026 7.924 -10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.105 6.301 -9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.962 7.174 -12.386 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.960 5.928 -11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.671 5.320 -13.009 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.223 4.350 -11.658 1.00 0.00 H new ATOM 634 N ALA A 45 8.532 8.511 -11.886 1.00 0.00 N ATOM 635 CA ALA A 45 7.993 9.770 -12.386 1.00 0.00 C ATOM 636 C ALA A 45 6.521 9.923 -12.018 1.00 0.00 C ATOM 637 O ALA A 45 6.091 10.982 -11.561 1.00 0.00 O ATOM 638 CB ALA A 45 8.174 9.859 -13.895 1.00 0.00 C ATOM 0 H ALA A 45 8.900 7.892 -12.609 1.00 0.00 H new ATOM 0 HA ALA A 45 8.544 10.585 -11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.767 10.804 -14.255 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.235 9.805 -14.138 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.649 9.032 -14.374 1.00 0.00 H new ATOM 644 N THR A 46 5.752 8.858 -12.220 1.00 0.00 N ATOM 645 CA THR A 46 4.328 8.874 -11.911 1.00 0.00 C ATOM 646 C THR A 46 4.092 9.057 -10.416 1.00 0.00 C ATOM 647 O THR A 46 3.120 9.690 -10.006 1.00 0.00 O ATOM 648 CB THR A 46 3.638 7.577 -12.373 1.00 0.00 C ATOM 649 OG1 THR A 46 4.391 6.439 -11.938 1.00 0.00 O ATOM 650 CG2 THR A 46 3.497 7.549 -13.888 1.00 0.00 C ATOM 0 H THR A 46 6.092 7.973 -12.596 1.00 0.00 H new ATOM 0 HA THR A 46 3.897 9.718 -12.450 1.00 0.00 H new ATOM 0 HB THR A 46 2.642 7.544 -11.930 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.084 6.727 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.007 6.624 -14.191 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.899 8.400 -14.214 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.484 7.603 -14.346 1.00 0.00 H new ATOM 658 N GLN A 47 4.987 8.499 -9.608 1.00 0.00 N ATOM 659 CA GLN A 47 4.874 8.601 -8.158 1.00 0.00 C ATOM 660 C GLN A 47 4.858 10.061 -7.715 1.00 0.00 C ATOM 661 O GLN A 47 5.823 10.794 -7.924 1.00 0.00 O ATOM 662 CB GLN A 47 6.032 7.864 -7.482 1.00 0.00 C ATOM 663 CG GLN A 47 5.912 6.350 -7.550 1.00 0.00 C ATOM 664 CD GLN A 47 7.188 5.644 -7.138 1.00 0.00 C ATOM 665 OE1 GLN A 47 8.169 6.283 -6.756 1.00 0.00 O ATOM 666 NE2 GLN A 47 7.183 4.319 -7.214 1.00 0.00 N ATOM 0 H GLN A 47 5.798 7.972 -9.932 1.00 0.00 H new ATOM 0 HA GLN A 47 3.934 8.138 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.968 8.167 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.085 8.169 -6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.097 6.025 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.650 6.055 -8.566 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.348 3.830 -7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.014 3.790 -6.950 1.00 0.00 H new ATOM 675 N ASN A 48 3.753 10.475 -7.102 1.00 0.00 N ATOM 676 CA ASN A 48 3.611 11.848 -6.631 1.00 0.00 C ATOM 677 C ASN A 48 4.347 12.049 -5.310 1.00 0.00 C ATOM 678 O ASN A 48 4.834 13.140 -5.018 1.00 0.00 O ATOM 679 CB ASN A 48 2.131 12.200 -6.461 1.00 0.00 C ATOM 680 CG ASN A 48 1.468 12.561 -7.776 1.00 0.00 C ATOM 681 OD1 ASN A 48 2.099 13.135 -8.665 1.00 0.00 O ATOM 682 ND2 ASN A 48 0.190 12.227 -7.906 1.00 0.00 N ATOM 0 H ASN A 48 2.944 9.880 -6.920 1.00 0.00 H new ATOM 0 HA ASN A 48 4.052 12.509 -7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.608 11.355 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.036 13.036 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.309 12.445 -8.769 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.293 11.752 -7.143 1.00 0.00 H new ATOM 689 N GLY A 49 4.425 10.986 -4.514 1.00 0.00 N ATOM 690 CA GLY A 49 5.104 11.066 -3.234 1.00 0.00 C ATOM 691 C GLY A 49 5.707 9.740 -2.814 1.00 0.00 C ATOM 692 O GLY A 49 5.567 8.738 -3.515 1.00 0.00 O ATOM 0 H GLY A 49 4.030 10.071 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.891 11.818 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.399 11.399 -2.472 1.00 0.00 H new ATOM 696 N GLN A 50 6.381 9.734 -1.669 1.00 0.00 N ATOM 697 CA GLN A 50 7.009 8.522 -1.158 1.00 0.00 C ATOM 698 C GLN A 50 5.961 7.541 -0.644 1.00 0.00 C ATOM 699 O GLN A 50 5.107 7.899 0.167 1.00 0.00 O ATOM 700 CB GLN A 50 7.996 8.865 -0.041 1.00 0.00 C ATOM 701 CG GLN A 50 7.327 9.373 1.226 1.00 0.00 C ATOM 702 CD GLN A 50 8.323 9.685 2.327 1.00 0.00 C ATOM 703 OE1 GLN A 50 9.261 10.457 2.130 1.00 0.00 O ATOM 704 NE2 GLN A 50 8.122 9.084 3.494 1.00 0.00 N ATOM 0 H GLN A 50 6.506 10.555 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 50 7.550 8.050 -1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.584 7.979 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.693 9.621 -0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.754 10.271 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.619 8.626 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.331 8.451 3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.759 9.255 4.272 1.00 0.00 H new ATOM 713 N ILE A 51 6.032 6.302 -1.120 1.00 0.00 N ATOM 714 CA ILE A 51 5.090 5.270 -0.708 1.00 0.00 C ATOM 715 C ILE A 51 5.342 4.840 0.733 1.00 0.00 C ATOM 716 O ILE A 51 6.475 4.876 1.216 1.00 0.00 O ATOM 717 CB ILE A 51 5.172 4.034 -1.622 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.824 4.414 -3.063 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.244 2.939 -1.119 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.127 3.323 -4.066 1.00 0.00 C ATOM 0 H ILE A 51 6.733 5.989 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 51 4.093 5.704 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 51 6.193 3.654 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.764 4.663 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.377 5.312 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.314 2.072 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.534 2.652 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.218 3.307 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.855 3.662 -5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.191 3.089 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.553 2.430 -3.817 1.00 0.00 H new ATOM 732 N THR A 52 4.278 4.430 1.418 1.00 0.00 N ATOM 733 CA THR A 52 4.383 3.992 2.804 1.00 0.00 C ATOM 734 C THR A 52 3.974 2.531 2.951 1.00 0.00 C ATOM 735 O THR A 52 4.612 1.767 3.675 1.00 0.00 O ATOM 736 CB THR A 52 3.509 4.854 3.734 1.00 0.00 C ATOM 737 OG1 THR A 52 2.162 4.886 3.249 1.00 0.00 O ATOM 738 CG2 THR A 52 4.053 6.272 3.827 1.00 0.00 C ATOM 0 H THR A 52 3.334 4.392 1.035 1.00 0.00 H new ATOM 0 HA THR A 52 5.428 4.105 3.093 1.00 0.00 H new ATOM 0 HB THR A 52 3.527 4.409 4.729 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.168 4.979 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.419 6.862 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.068 6.247 4.223 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.062 6.724 2.835 1.00 0.00 H new ATOM 746 N GLY A 53 2.906 2.147 2.258 1.00 0.00 N ATOM 747 CA GLY A 53 2.431 0.778 2.325 1.00 0.00 C ATOM 748 C GLY A 53 1.486 0.436 1.191 1.00 0.00 C ATOM 749 O GLY A 53 1.150 1.293 0.374 1.00 0.00 O ATOM 0 H GLY A 53 2.362 2.760 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.284 0.099 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.924 0.619 3.277 1.00 0.00 H new ATOM 753 N TYR A 54 1.056 -0.820 1.139 1.00 0.00 N ATOM 754 CA TYR A 54 0.147 -1.275 0.093 1.00 0.00 C ATOM 755 C TYR A 54 -1.107 -1.901 0.697 1.00 0.00 C ATOM 756 O TYR A 54 -1.039 -2.620 1.693 1.00 0.00 O ATOM 757 CB TYR A 54 0.847 -2.285 -0.817 1.00 0.00 C ATOM 758 CG TYR A 54 1.969 -1.686 -1.636 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.029 -1.030 -1.022 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.968 -1.776 -3.022 1.00 0.00 C ATOM 761 CE1 TYR A 54 4.056 -0.481 -1.766 1.00 0.00 C ATOM 762 CE2 TYR A 54 2.991 -1.231 -3.774 1.00 0.00 C ATOM 763 CZ TYR A 54 4.033 -0.585 -3.141 1.00 0.00 C ATOM 764 OH TYR A 54 5.053 -0.040 -3.886 1.00 0.00 O ATOM 0 H TYR A 54 1.322 -1.541 1.809 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.149 -0.409 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.246 -3.095 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.112 -2.725 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.051 -0.948 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.154 -2.281 -3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.872 0.027 -1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.975 -1.310 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 54 4.885 -0.202 -4.838 1.00 0.00 H new ATOM 774 N LYS A 55 -2.252 -1.622 0.084 1.00 0.00 N ATOM 775 CA LYS A 55 -3.524 -2.157 0.556 1.00 0.00 C ATOM 776 C LYS A 55 -3.963 -3.345 -0.294 1.00 0.00 C ATOM 777 O LYS A 55 -4.482 -3.172 -1.397 1.00 0.00 O ATOM 778 CB LYS A 55 -4.600 -1.070 0.528 1.00 0.00 C ATOM 779 CG LYS A 55 -5.669 -1.245 1.593 1.00 0.00 C ATOM 780 CD LYS A 55 -6.552 -0.014 1.705 1.00 0.00 C ATOM 781 CE LYS A 55 -7.200 0.086 3.078 1.00 0.00 C ATOM 782 NZ LYS A 55 -8.036 1.311 3.209 1.00 0.00 N ATOM 0 H LYS A 55 -2.325 -1.028 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.388 -2.498 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.125 -0.097 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.074 -1.065 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.283 -2.114 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.196 -1.443 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.957 0.880 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.326 -0.049 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.817 -0.795 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.426 0.091 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.460 1.342 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.443 2.153 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.790 1.295 2.493 1.00 0.00 H new ATOM 796 N ILE A 56 -3.754 -4.549 0.228 1.00 0.00 N ATOM 797 CA ILE A 56 -4.132 -5.765 -0.483 1.00 0.00 C ATOM 798 C ILE A 56 -5.476 -6.292 0.006 1.00 0.00 C ATOM 799 O ILE A 56 -5.584 -6.811 1.118 1.00 0.00 O ATOM 800 CB ILE A 56 -3.069 -6.867 -0.317 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.709 -6.374 -0.815 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.488 -8.124 -1.064 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.538 -7.100 -0.192 1.00 0.00 C ATOM 0 H ILE A 56 -3.325 -4.709 1.140 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.210 -5.503 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.981 -7.109 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.664 -6.490 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.619 -5.308 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.727 -8.894 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.437 -8.484 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.601 -7.897 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.393 -6.698 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.558 -6.963 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.604 -8.163 -0.424 1.00 0.00 H new ATOM 815 N ARG A 57 -6.499 -6.158 -0.832 1.00 0.00 N ATOM 816 CA ARG A 57 -7.837 -6.622 -0.485 1.00 0.00 C ATOM 817 C ARG A 57 -8.221 -7.843 -1.315 1.00 0.00 C ATOM 818 O ARG A 57 -7.977 -7.889 -2.521 1.00 0.00 O ATOM 819 CB ARG A 57 -8.859 -5.504 -0.700 1.00 0.00 C ATOM 820 CG ARG A 57 -9.063 -4.622 0.521 1.00 0.00 C ATOM 821 CD ARG A 57 -9.947 -3.427 0.203 1.00 0.00 C ATOM 822 NE ARG A 57 -10.129 -2.557 1.362 1.00 0.00 N ATOM 823 CZ ARG A 57 -11.042 -2.768 2.303 1.00 0.00 C ATOM 824 NH1 ARG A 57 -11.851 -3.815 2.224 1.00 0.00 N ATOM 825 NH2 ARG A 57 -11.146 -1.931 3.328 1.00 0.00 N ATOM 0 H ARG A 57 -6.427 -5.732 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.835 -6.906 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.536 -4.884 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.815 -5.946 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.514 -5.207 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.096 -4.274 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.505 -2.856 -0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.919 -3.777 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.522 -1.743 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.773 -4.461 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.551 -3.974 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.524 -1.125 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.848 -2.094 4.050 1.00 0.00 H new ATOM 839 N TYR A 58 -8.821 -8.832 -0.661 1.00 0.00 N ATOM 840 CA TYR A 58 -9.235 -10.055 -1.337 1.00 0.00 C ATOM 841 C TYR A 58 -10.621 -10.492 -0.872 1.00 0.00 C ATOM 842 O TYR A 58 -10.938 -10.428 0.316 1.00 0.00 O ATOM 843 CB TYR A 58 -8.223 -11.173 -1.081 1.00 0.00 C ATOM 844 CG TYR A 58 -8.158 -11.610 0.365 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.330 -10.959 1.271 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.923 -12.675 0.825 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.266 -11.356 2.593 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.867 -13.077 2.145 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.037 -12.415 3.025 1.00 0.00 C ATOM 850 OH TYR A 58 -7.977 -12.814 4.341 1.00 0.00 O ATOM 0 H TYR A 58 -9.031 -8.810 0.337 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.278 -9.851 -2.407 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.479 -12.032 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.235 -10.837 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.726 -10.129 0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.573 -13.197 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.616 -10.840 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.470 -13.905 2.486 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.582 -13.572 4.481 1.00 0.00 H new ATOM 860 N ARG A 59 -11.443 -10.935 -1.818 1.00 0.00 N ATOM 861 CA ARG A 59 -12.795 -11.383 -1.506 1.00 0.00 C ATOM 862 C ARG A 59 -13.045 -12.783 -2.059 1.00 0.00 C ATOM 863 O ARG A 59 -12.166 -13.386 -2.673 1.00 0.00 O ATOM 864 CB ARG A 59 -13.823 -10.405 -2.080 1.00 0.00 C ATOM 865 CG ARG A 59 -13.574 -10.044 -3.535 1.00 0.00 C ATOM 866 CD ARG A 59 -14.187 -8.698 -3.887 1.00 0.00 C ATOM 867 NE ARG A 59 -13.493 -7.592 -3.234 1.00 0.00 N ATOM 868 CZ ARG A 59 -14.058 -6.417 -2.979 1.00 0.00 C ATOM 869 NH1 ARG A 59 -15.320 -6.197 -3.320 1.00 0.00 N ATOM 870 NH2 ARG A 59 -13.360 -5.460 -2.380 1.00 0.00 N ATOM 0 H ARG A 59 -11.197 -10.993 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.900 -11.416 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.818 -10.841 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.818 -9.493 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.501 -10.018 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.994 -10.816 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.156 -8.557 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.237 -8.690 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.521 -7.729 -2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.860 -6.931 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.751 -5.294 -3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.389 -5.626 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.794 -4.558 -2.185 1.00 0.00 H new ATOM 884 N LYS A 60 -14.251 -13.295 -1.835 1.00 0.00 N ATOM 885 CA LYS A 60 -14.619 -14.623 -2.310 1.00 0.00 C ATOM 886 C LYS A 60 -15.457 -14.534 -3.581 1.00 0.00 C ATOM 887 O LYS A 60 -16.331 -13.675 -3.701 1.00 0.00 O ATOM 888 CB LYS A 60 -15.394 -15.378 -1.228 1.00 0.00 C ATOM 889 CG LYS A 60 -14.507 -16.183 -0.294 1.00 0.00 C ATOM 890 CD LYS A 60 -15.307 -16.797 0.843 1.00 0.00 C ATOM 891 CE LYS A 60 -14.486 -17.822 1.611 1.00 0.00 C ATOM 892 NZ LYS A 60 -14.915 -17.921 3.034 1.00 0.00 N ATOM 0 H LYS A 60 -14.990 -12.809 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.702 -15.166 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.971 -14.664 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.108 -16.049 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.007 -16.972 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.728 -15.539 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.638 -16.011 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.203 -17.272 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.583 -18.797 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.432 -17.549 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.332 -18.629 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.799 -16.997 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.914 -18.206 3.076 1.00 0.00 H new ATOM 906 N ALA A 61 -15.186 -15.426 -4.528 1.00 0.00 N ATOM 907 CA ALA A 61 -15.917 -15.450 -5.788 1.00 0.00 C ATOM 908 C ALA A 61 -17.402 -15.709 -5.557 1.00 0.00 C ATOM 909 O ALA A 61 -18.256 -14.978 -6.059 1.00 0.00 O ATOM 910 CB ALA A 61 -15.334 -16.504 -6.718 1.00 0.00 C ATOM 0 H ALA A 61 -14.464 -16.142 -4.446 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.814 -14.471 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.890 -16.510 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.288 -16.274 -6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.406 -17.484 -6.247 1.00 0.00 H new ATOM 916 N SER A 62 -17.703 -16.755 -4.793 1.00 0.00 N ATOM 917 CA SER A 62 -19.086 -17.113 -4.499 1.00 0.00 C ATOM 918 C SER A 62 -19.883 -15.888 -4.060 1.00 0.00 C ATOM 919 O SER A 62 -21.077 -15.780 -4.338 1.00 0.00 O ATOM 920 CB SER A 62 -19.136 -18.185 -3.408 1.00 0.00 C ATOM 921 OG SER A 62 -20.472 -18.556 -3.118 1.00 0.00 O ATOM 0 H SER A 62 -17.008 -17.369 -4.367 1.00 0.00 H new ATOM 0 HA SER A 62 -19.534 -17.509 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.574 -19.062 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.655 -17.811 -2.504 1.00 0.00 H new ATOM 0 HG SER A 62 -20.476 -19.243 -2.419 1.00 0.00 H new ATOM 927 N ARG A 63 -19.213 -14.969 -3.373 1.00 0.00 N ATOM 928 CA ARG A 63 -19.858 -13.752 -2.895 1.00 0.00 C ATOM 929 C ARG A 63 -18.892 -12.572 -2.937 1.00 0.00 C ATOM 930 O ARG A 63 -17.914 -12.528 -2.190 1.00 0.00 O ATOM 931 CB ARG A 63 -20.375 -13.951 -1.469 1.00 0.00 C ATOM 932 CG ARG A 63 -19.287 -14.314 -0.471 1.00 0.00 C ATOM 933 CD ARG A 63 -19.867 -14.970 0.772 1.00 0.00 C ATOM 934 NE ARG A 63 -18.826 -15.499 1.648 1.00 0.00 N ATOM 935 CZ ARG A 63 -19.070 -16.299 2.680 1.00 0.00 C ATOM 936 NH1 ARG A 63 -20.314 -16.659 2.964 1.00 0.00 N ATOM 937 NH2 ARG A 63 -18.069 -16.740 3.431 1.00 0.00 N ATOM 0 H ARG A 63 -18.224 -15.044 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.699 -13.534 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.868 -13.036 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.130 -14.737 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -18.572 -14.990 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.738 -13.416 -0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.466 -14.243 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.537 -15.777 0.477 1.00 0.00 H new ATOM 0 HE ARG A 63 -17.858 -15.240 1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.086 -16.322 2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.499 -17.273 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.111 -16.465 3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.258 -17.354 4.223 1.00 0.00 H new ATOM 951 N LYS A 64 -19.172 -11.616 -3.817 1.00 0.00 N ATOM 952 CA LYS A 64 -18.329 -10.435 -3.958 1.00 0.00 C ATOM 953 C LYS A 64 -18.492 -9.505 -2.760 1.00 0.00 C ATOM 954 O LYS A 64 -17.882 -8.437 -2.704 1.00 0.00 O ATOM 955 CB LYS A 64 -18.675 -9.687 -5.248 1.00 0.00 C ATOM 956 CG LYS A 64 -18.019 -10.274 -6.486 1.00 0.00 C ATOM 957 CD LYS A 64 -18.825 -11.433 -7.048 1.00 0.00 C ATOM 958 CE LYS A 64 -18.374 -11.793 -8.455 1.00 0.00 C ATOM 959 NZ LYS A 64 -19.128 -11.033 -9.491 1.00 0.00 N ATOM 0 H LYS A 64 -19.977 -11.636 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.291 -10.763 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.757 -9.693 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.372 -8.645 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.915 -9.499 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.014 -10.615 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.719 -12.301 -6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.883 -11.171 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.308 -11.588 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.511 -12.862 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.791 -11.307 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.142 -11.248 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.977 -10.013 -9.352 1.00 0.00 H new ATOM 973 N SER A 65 -19.316 -9.918 -1.803 1.00 0.00 N ATOM 974 CA SER A 65 -19.560 -9.121 -0.607 1.00 0.00 C ATOM 975 C SER A 65 -18.498 -9.394 0.454 1.00 0.00 C ATOM 976 O SER A 65 -18.020 -8.475 1.120 1.00 0.00 O ATOM 977 CB SER A 65 -20.950 -9.422 -0.042 1.00 0.00 C ATOM 978 OG SER A 65 -21.944 -8.653 -0.697 1.00 0.00 O ATOM 0 H SER A 65 -19.826 -10.801 -1.833 1.00 0.00 H new ATOM 0 HA SER A 65 -19.509 -8.068 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.171 -10.483 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 65 -20.966 -9.208 1.027 1.00 0.00 H new ATOM 0 HG SER A 65 -22.823 -8.865 -0.319 1.00 0.00 H new ATOM 984 N ASP A 66 -18.133 -10.662 0.604 1.00 0.00 N ATOM 985 CA ASP A 66 -17.127 -11.058 1.583 1.00 0.00 C ATOM 986 C ASP A 66 -15.736 -10.613 1.142 1.00 0.00 C ATOM 987 O ASP A 66 -15.094 -11.268 0.321 1.00 0.00 O ATOM 988 CB ASP A 66 -17.150 -12.574 1.786 1.00 0.00 C ATOM 989 CG ASP A 66 -16.351 -13.007 2.999 1.00 0.00 C ATOM 990 OD1 ASP A 66 -16.601 -12.470 4.098 1.00 0.00 O ATOM 991 OD2 ASP A 66 -15.476 -13.885 2.849 1.00 0.00 O ATOM 0 H ASP A 66 -18.519 -11.434 0.060 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.363 -10.569 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.182 -12.907 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.750 -13.063 0.898 1.00 0.00 H new ATOM 996 N VAL A 67 -15.276 -9.493 1.692 1.00 0.00 N ATOM 997 CA VAL A 67 -13.961 -8.960 1.356 1.00 0.00 C ATOM 998 C VAL A 67 -13.152 -8.662 2.613 1.00 0.00 C ATOM 999 O VAL A 67 -13.660 -8.075 3.569 1.00 0.00 O ATOM 1000 CB VAL A 67 -14.075 -7.675 0.515 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -15.124 -6.743 1.102 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -12.726 -6.979 0.420 1.00 0.00 C ATOM 0 H VAL A 67 -15.795 -8.938 2.372 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.449 -9.724 0.771 1.00 0.00 H new ATOM 0 HB VAL A 67 -14.389 -7.948 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -15.190 -5.841 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.092 -7.245 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -14.843 -6.475 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.825 -6.073 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.380 -6.718 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.004 -7.647 -0.050 1.00 0.00 H new ATOM 1012 N THR A 68 -11.886 -9.069 2.605 1.00 0.00 N ATOM 1013 CA THR A 68 -11.005 -8.846 3.745 1.00 0.00 C ATOM 1014 C THR A 68 -9.870 -7.895 3.384 1.00 0.00 C ATOM 1015 O THR A 68 -9.369 -7.911 2.260 1.00 0.00 O ATOM 1016 CB THR A 68 -10.407 -10.169 4.260 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.454 -11.109 4.525 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.592 -9.939 5.524 1.00 0.00 C ATOM 0 H THR A 68 -11.448 -9.555 1.822 1.00 0.00 H new ATOM 0 HA THR A 68 -11.613 -8.400 4.532 1.00 0.00 H new ATOM 0 HB THR A 68 -9.747 -10.568 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.066 -11.948 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.180 -10.887 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.778 -9.246 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.233 -9.519 6.299 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.468 -7.068 4.345 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.391 -6.110 4.126 1.00 0.00 C ATOM 1028 C GLU A 69 -7.076 -6.631 4.698 1.00 0.00 C ATOM 1029 O GLU A 69 -7.060 -7.347 5.699 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.740 -4.763 4.763 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.718 -3.674 4.482 1.00 0.00 C ATOM 1032 CD GLU A 69 -6.455 -3.833 5.306 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -6.535 -4.417 6.407 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -5.387 -3.374 4.850 1.00 0.00 O ATOM 0 H GLU A 69 -9.872 -7.043 5.281 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.271 -5.975 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.714 -4.439 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.832 -4.894 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.460 -3.687 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.163 -2.701 4.690 1.00 0.00 H new ATOM 1041 N THR A 70 -5.971 -6.266 4.053 1.00 0.00 N ATOM 1042 CA THR A 70 -4.651 -6.696 4.495 1.00 0.00 C ATOM 1043 C THR A 70 -3.605 -5.620 4.231 1.00 0.00 C ATOM 1044 O THR A 70 -3.354 -5.252 3.082 1.00 0.00 O ATOM 1045 CB THR A 70 -4.220 -7.998 3.794 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.163 -9.039 4.073 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.834 -8.426 4.250 1.00 0.00 C ATOM 0 H THR A 70 -5.965 -5.673 3.223 1.00 0.00 H new ATOM 0 HA THR A 70 -4.720 -6.876 5.568 1.00 0.00 H new ATOM 0 HB THR A 70 -4.190 -7.814 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.685 -9.882 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.552 -9.348 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.114 -7.644 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.841 -8.594 5.327 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.996 -5.117 5.299 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.975 -4.082 5.182 1.00 0.00 C ATOM 1057 C LEU A 71 -0.579 -4.696 5.149 1.00 0.00 C ATOM 1058 O LEU A 71 -0.355 -5.786 5.676 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.083 -3.097 6.347 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.263 -1.813 6.219 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -1.777 -0.965 5.066 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -1.300 -1.024 7.520 1.00 0.00 C ATOM 0 H LEU A 71 -3.192 -5.409 6.256 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.140 -3.548 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.131 -2.824 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.778 -3.610 7.259 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.228 -2.085 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.182 -0.055 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.699 -1.529 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.820 -0.702 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.711 -0.113 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.331 -0.763 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.884 -1.630 8.325 1.00 0.00 H new ATOM 1074 N VAL A 72 0.359 -3.987 4.528 1.00 0.00 N ATOM 1075 CA VAL A 72 1.734 -4.460 4.428 1.00 0.00 C ATOM 1076 C VAL A 72 2.718 -3.296 4.436 1.00 0.00 C ATOM 1077 O VAL A 72 2.318 -2.132 4.429 1.00 0.00 O ATOM 1078 CB VAL A 72 1.951 -5.293 3.150 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.061 -6.526 3.159 1.00 0.00 C ATOM 1080 CG2 VAL A 72 1.690 -4.446 1.913 1.00 0.00 C ATOM 0 H VAL A 72 0.191 -3.083 4.087 1.00 0.00 H new ATOM 0 HA VAL A 72 1.915 -5.091 5.298 1.00 0.00 H new ATOM 0 HB VAL A 72 2.989 -5.624 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.228 -7.102 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.300 -7.141 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.016 -6.220 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.848 -5.049 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.662 -4.084 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.373 -3.597 1.903 1.00 0.00 H new ATOM 1090 N SER A 73 4.008 -3.617 4.448 1.00 0.00 N ATOM 1091 CA SER A 73 5.050 -2.598 4.460 1.00 0.00 C ATOM 1092 C SER A 73 5.282 -2.042 3.058 1.00 0.00 C ATOM 1093 O SER A 73 5.015 -2.711 2.061 1.00 0.00 O ATOM 1094 CB SER A 73 6.353 -3.176 5.014 1.00 0.00 C ATOM 1095 OG SER A 73 7.185 -2.154 5.534 1.00 0.00 O ATOM 0 H SER A 73 4.356 -4.576 4.450 1.00 0.00 H new ATOM 0 HA SER A 73 4.720 -1.784 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.129 -3.900 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.881 -3.712 4.225 1.00 0.00 H new ATOM 0 HG SER A 73 8.010 -2.550 5.883 1.00 0.00 H new ATOM 1101 N GLY A 74 5.782 -0.812 2.991 1.00 0.00 N ATOM 1102 CA GLY A 74 6.042 -0.186 1.707 1.00 0.00 C ATOM 1103 C GLY A 74 7.031 -0.972 0.869 1.00 0.00 C ATOM 1104 O GLY A 74 6.744 -1.326 -0.275 1.00 0.00 O ATOM 0 H GLY A 74 6.012 -0.238 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.105 -0.085 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.427 0.821 1.868 1.00 0.00 H new ATOM 1108 N THR A 75 8.201 -1.244 1.437 1.00 0.00 N ATOM 1109 CA THR A 75 9.238 -1.990 0.734 1.00 0.00 C ATOM 1110 C THR A 75 8.801 -3.427 0.477 1.00 0.00 C ATOM 1111 O THR A 75 9.436 -4.149 -0.291 1.00 0.00 O ATOM 1112 CB THR A 75 10.558 -2.000 1.527 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.529 -2.807 0.850 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.341 -2.533 2.935 1.00 0.00 C ATOM 0 H THR A 75 8.455 -0.959 2.383 1.00 0.00 H new ATOM 0 HA THR A 75 9.400 -1.486 -0.219 1.00 0.00 H new ATOM 0 HB THR A 75 10.922 -0.975 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.074 -3.416 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.288 -2.530 3.475 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.624 -1.900 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.956 -3.551 2.883 1.00 0.00 H new ATOM 1122 N GLN A 76 7.714 -3.836 1.123 1.00 0.00 N ATOM 1123 CA GLN A 76 7.194 -5.188 0.963 1.00 0.00 C ATOM 1124 C GLN A 76 6.360 -5.304 -0.309 1.00 0.00 C ATOM 1125 O GLN A 76 5.270 -4.739 -0.402 1.00 0.00 O ATOM 1126 CB GLN A 76 6.350 -5.580 2.178 1.00 0.00 C ATOM 1127 CG GLN A 76 5.627 -6.907 2.014 1.00 0.00 C ATOM 1128 CD GLN A 76 5.155 -7.481 3.335 1.00 0.00 C ATOM 1129 OE1 GLN A 76 3.860 -7.760 3.430 1.00 0.00 O flip ATOM 1130 NE2 GLN A 76 5.945 -7.673 4.260 1.00 0.00 N flip ATOM 0 H GLN A 76 7.177 -3.250 1.762 1.00 0.00 H new ATOM 0 HA GLN A 76 8.042 -5.869 0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.994 -5.633 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.616 -4.797 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.770 -6.770 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.292 -7.621 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.932 -7.444 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.612 -8.061 5.143 1.00 0.00 H new ATOM 1139 N LEU A 77 6.880 -6.039 -1.286 1.00 0.00 N ATOM 1140 CA LEU A 77 6.184 -6.229 -2.554 1.00 0.00 C ATOM 1141 C LEU A 77 5.594 -7.633 -2.646 1.00 0.00 C ATOM 1142 O LEU A 77 5.391 -8.160 -3.740 1.00 0.00 O ATOM 1143 CB LEU A 77 7.138 -5.986 -3.724 1.00 0.00 C ATOM 1144 CG LEU A 77 7.818 -4.617 -3.762 1.00 0.00 C ATOM 1145 CD1 LEU A 77 8.943 -4.608 -4.786 1.00 0.00 C ATOM 1146 CD2 LEU A 77 6.804 -3.526 -4.072 1.00 0.00 C ATOM 0 H LEU A 77 7.781 -6.513 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 77 5.368 -5.508 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.912 -6.753 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.584 -6.120 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 77 8.247 -4.418 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.415 -3.626 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.683 -5.363 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.538 -4.829 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.306 -2.559 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.346 -3.720 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.033 -3.516 -3.302 1.00 0.00 H new ATOM 1158 N SER A 78 5.320 -8.231 -1.492 1.00 0.00 N ATOM 1159 CA SER A 78 4.756 -9.575 -1.442 1.00 0.00 C ATOM 1160 C SER A 78 3.950 -9.779 -0.163 1.00 0.00 C ATOM 1161 O SER A 78 4.260 -9.198 0.877 1.00 0.00 O ATOM 1162 CB SER A 78 5.868 -10.622 -1.531 1.00 0.00 C ATOM 1163 OG SER A 78 6.855 -10.402 -0.539 1.00 0.00 O ATOM 0 H SER A 78 5.479 -7.806 -0.578 1.00 0.00 H new ATOM 0 HA SER A 78 4.087 -9.693 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.444 -11.619 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.327 -10.587 -2.519 1.00 0.00 H new ATOM 0 HG SER A 78 7.554 -11.085 -0.616 1.00 0.00 H new ATOM 1169 N GLN A 79 2.916 -10.609 -0.248 1.00 0.00 N ATOM 1170 CA GLN A 79 2.065 -10.889 0.902 1.00 0.00 C ATOM 1171 C GLN A 79 1.500 -12.304 0.829 1.00 0.00 C ATOM 1172 O GLN A 79 1.117 -12.777 -0.242 1.00 0.00 O ATOM 1173 CB GLN A 79 0.923 -9.875 0.978 1.00 0.00 C ATOM 1174 CG GLN A 79 -0.140 -10.231 2.004 1.00 0.00 C ATOM 1175 CD GLN A 79 0.451 -10.728 3.309 1.00 0.00 C ATOM 1176 OE1 GLN A 79 0.170 -11.844 3.746 1.00 0.00 O ATOM 1177 NE2 GLN A 79 1.276 -9.899 3.939 1.00 0.00 N ATOM 0 H GLN A 79 2.647 -11.099 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 79 2.675 -10.806 1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.334 -8.895 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.456 -9.793 -0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.758 -9.355 2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.796 -10.998 1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.481 -8.983 3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.704 -10.179 4.821 1.00 0.00 H new ATOM 1186 N LEU A 80 1.452 -12.976 1.974 1.00 0.00 N ATOM 1187 CA LEU A 80 0.934 -14.338 2.041 1.00 0.00 C ATOM 1188 C LEU A 80 -0.420 -14.372 2.743 1.00 0.00 C ATOM 1189 O LEU A 80 -0.507 -14.172 3.955 1.00 0.00 O ATOM 1190 CB LEU A 80 1.924 -15.246 2.773 1.00 0.00 C ATOM 1191 CG LEU A 80 1.623 -16.744 2.724 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.780 -17.274 1.307 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.531 -17.502 3.682 1.00 0.00 C ATOM 0 H LEU A 80 1.766 -12.600 2.869 1.00 0.00 H new ATOM 0 HA LEU A 80 0.803 -14.701 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.916 -15.081 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.965 -14.938 3.818 1.00 0.00 H new ATOM 0 HG LEU A 80 0.590 -16.898 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.562 -18.342 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.089 -16.753 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.802 -17.108 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.303 -18.567 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.572 -17.341 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.370 -17.142 4.698 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.473 -14.629 1.974 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.821 -14.693 2.524 1.00 0.00 C ATOM 1207 C ILE A 81 -3.232 -16.134 2.806 1.00 0.00 C ATOM 1208 O ILE A 81 -3.503 -16.904 1.885 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.849 -14.055 1.569 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.484 -12.595 1.294 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.249 -14.155 2.155 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.521 -11.720 2.527 1.00 0.00 C ATOM 0 H ILE A 81 -1.418 -14.796 0.969 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.808 -14.132 3.459 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.832 -14.598 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.485 -12.554 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.172 -12.191 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.964 -13.700 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.507 -15.203 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.281 -13.633 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.251 -10.699 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.525 -11.730 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.813 -12.099 3.264 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.279 -16.491 4.086 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.658 -17.839 4.489 1.00 0.00 C ATOM 1226 C GLU A 82 -5.088 -17.867 5.020 1.00 0.00 C ATOM 1227 O GLU A 82 -5.674 -16.824 5.311 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.696 -18.367 5.555 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.245 -18.399 5.104 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.273 -18.224 6.254 1.00 0.00 C ATOM 1231 OE1 GLU A 82 -0.266 -17.135 6.865 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.482 -19.176 6.542 1.00 0.00 O ATOM 0 H GLU A 82 -3.059 -15.865 4.861 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.603 -18.481 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.777 -17.744 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.001 -19.374 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.044 -19.347 4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.079 -17.611 4.370 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.645 -19.068 5.144 1.00 0.00 N ATOM 1240 CA GLY A 83 -7.002 -19.209 5.639 1.00 0.00 C ATOM 1241 C GLY A 83 -8.030 -19.197 4.525 1.00 0.00 C ATOM 1242 O GLY A 83 -9.081 -18.568 4.647 1.00 0.00 O ATOM 0 H GLY A 83 -5.181 -19.946 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.087 -20.141 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.217 -18.399 6.336 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.726 -19.893 3.435 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.631 -19.959 2.293 1.00 0.00 C ATOM 1248 C LEU A 84 -9.113 -21.388 2.063 1.00 0.00 C ATOM 1249 O LEU A 84 -8.601 -22.332 2.665 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.937 -19.435 1.036 1.00 0.00 C ATOM 1251 CG LEU A 84 -7.212 -18.095 1.178 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -6.032 -18.022 0.222 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -8.173 -16.941 0.931 1.00 0.00 C ATOM 0 H LEU A 84 -6.860 -20.419 3.318 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.497 -19.333 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.216 -20.182 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.682 -19.340 0.246 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.833 -18.015 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.529 -17.062 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.332 -18.827 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.388 -18.124 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.641 -15.996 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.582 -17.017 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.986 -16.983 1.656 1.00 0.00 H new ATOM 1265 N ASP A 85 -10.100 -21.540 1.187 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.650 -22.854 0.874 1.00 0.00 C ATOM 1267 C ASP A 85 -10.111 -23.365 -0.459 1.00 0.00 C ATOM 1268 O ASP A 85 -9.813 -22.581 -1.360 1.00 0.00 O ATOM 1269 CB ASP A 85 -12.178 -22.794 0.831 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.768 -22.167 2.079 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -12.501 -20.972 2.324 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.495 -22.871 2.810 1.00 0.00 O ATOM 0 H ASP A 85 -10.536 -20.769 0.681 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.343 -23.545 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.492 -22.222 -0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.575 -23.802 0.712 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.989 -24.683 -0.575 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.483 -25.298 -1.797 1.00 0.00 C ATOM 1279 C ARG A 86 -10.549 -25.292 -2.889 1.00 0.00 C ATOM 1280 O ARG A 86 -11.733 -25.107 -2.614 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.029 -26.733 -1.520 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.076 -27.577 -0.813 1.00 0.00 C ATOM 1283 CD ARG A 86 -9.844 -29.062 -1.046 1.00 0.00 C ATOM 1284 NE ARG A 86 -10.758 -29.889 -0.262 1.00 0.00 N ATOM 1285 CZ ARG A 86 -11.976 -30.227 -0.670 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -12.424 -29.813 -1.847 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -12.749 -30.982 0.101 1.00 0.00 N ATOM 0 H ARG A 86 -10.233 -25.345 0.161 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.630 -24.714 -2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.766 -27.211 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.124 -26.708 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.053 -27.367 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.068 -27.302 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.970 -29.287 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.815 -29.313 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.444 -30.225 0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.833 -29.233 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.360 -30.074 -2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.408 -31.303 1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.684 -31.241 -0.213 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.117 -25.495 -4.131 1.00 0.00 N ATOM 1302 CA GLY A 87 -11.046 -25.509 -5.246 1.00 0.00 C ATOM 1303 C GLY A 87 -12.052 -24.377 -5.176 1.00 0.00 C ATOM 1304 O GLY A 87 -13.259 -24.601 -5.271 1.00 0.00 O ATOM 0 H GLY A 87 -9.141 -25.650 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.489 -25.439 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.576 -26.461 -5.262 1.00 0.00 H new ATOM 1308 N THR A 88 -11.555 -23.155 -5.008 1.00 0.00 N ATOM 1309 CA THR A 88 -12.419 -21.984 -4.923 1.00 0.00 C ATOM 1310 C THR A 88 -11.741 -20.757 -5.522 1.00 0.00 C ATOM 1311 O THR A 88 -10.595 -20.450 -5.197 1.00 0.00 O ATOM 1312 CB THR A 88 -12.810 -21.680 -3.465 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.656 -22.719 -2.958 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.527 -20.342 -3.365 1.00 0.00 C ATOM 0 H THR A 88 -10.559 -22.951 -4.928 1.00 0.00 H new ATOM 0 HA THR A 88 -13.320 -22.213 -5.493 1.00 0.00 H new ATOM 0 HB THR A 88 -11.898 -21.631 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.127 -23.532 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.793 -20.149 -2.326 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.871 -19.550 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.432 -20.368 -3.973 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.458 -20.058 -6.397 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.924 -18.864 -7.040 1.00 0.00 C ATOM 1324 C GLU A 89 -11.884 -17.692 -6.064 1.00 0.00 C ATOM 1325 O GLU A 89 -12.867 -17.404 -5.382 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.769 -18.495 -8.262 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.130 -17.438 -9.147 1.00 0.00 C ATOM 1328 CD GLU A 89 -12.538 -17.571 -10.601 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -12.483 -18.700 -11.131 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -12.910 -16.546 -11.209 1.00 0.00 O ATOM 0 H GLU A 89 -13.409 -20.298 -6.676 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.906 -19.081 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.948 -19.393 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.742 -18.136 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.409 -16.449 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.045 -17.512 -9.070 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.739 -17.020 -6.002 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.568 -15.882 -5.108 1.00 0.00 C ATOM 1339 C TYR A 90 -10.096 -14.651 -5.876 1.00 0.00 C ATOM 1340 O TYR A 90 -9.384 -14.764 -6.873 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.567 -16.221 -4.002 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.154 -17.064 -2.892 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -10.870 -16.482 -1.854 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -9.993 -18.445 -2.883 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.407 -17.248 -0.838 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.527 -19.219 -1.872 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.233 -18.617 -0.852 1.00 0.00 C ATOM 1348 OH TYR A 90 -11.768 -19.384 0.158 1.00 0.00 O ATOM 0 H TYR A 90 -9.916 -17.245 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.535 -15.658 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.720 -16.750 -4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.180 -15.295 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.009 -15.411 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.441 -18.920 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.960 -16.779 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.392 -20.291 -1.880 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.402 -20.028 -0.221 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.498 -13.476 -5.404 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.117 -12.223 -6.045 1.00 0.00 C ATOM 1360 C ASN A 91 -9.125 -11.450 -5.182 1.00 0.00 C ATOM 1361 O ASN A 91 -9.259 -11.397 -3.959 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.356 -11.365 -6.312 1.00 0.00 C ATOM 1363 CG ASN A 91 -12.585 -12.201 -6.611 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -13.623 -12.052 -5.967 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.472 -13.087 -7.594 1.00 0.00 N ATOM 0 H ASN A 91 -11.088 -13.365 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.637 -12.461 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.551 -10.734 -5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.159 -10.700 -7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.266 -13.678 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.592 -13.176 -8.101 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.130 -10.850 -5.827 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.115 -10.079 -5.119 1.00 0.00 C ATOM 1374 C PHE A 92 -6.843 -8.756 -5.828 1.00 0.00 C ATOM 1375 O PHE A 92 -7.025 -8.640 -7.040 1.00 0.00 O ATOM 1376 CB PHE A 92 -5.819 -10.885 -5.005 1.00 0.00 C ATOM 1377 CG PHE A 92 -5.973 -12.162 -4.229 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -5.785 -12.180 -2.856 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -6.305 -13.343 -4.871 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -5.926 -13.353 -2.139 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.448 -14.520 -4.160 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.258 -14.524 -2.792 1.00 0.00 C ATOM 0 H PHE A 92 -8.005 -10.883 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.491 -9.864 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.457 -11.119 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.058 -10.268 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.525 -11.267 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.454 -13.345 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.777 -13.354 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.708 -15.434 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.369 -15.442 -2.233 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.407 -7.760 -5.063 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.112 -6.444 -5.617 1.00 0.00 C ATOM 1394 C ARG A 93 -5.084 -5.712 -4.761 1.00 0.00 C ATOM 1395 O ARG A 93 -5.210 -5.649 -3.538 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.392 -5.612 -5.720 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.050 -5.339 -4.377 1.00 0.00 C ATOM 1398 CD ARG A 93 -9.168 -4.316 -4.502 1.00 0.00 C ATOM 1399 NE ARG A 93 -8.664 -2.946 -4.444 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.435 -1.889 -4.213 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -10.738 -2.044 -4.020 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -8.903 -0.674 -4.175 1.00 0.00 N ATOM 0 H ARG A 93 -6.250 -7.840 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.696 -6.582 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.160 -4.662 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.102 -6.131 -6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.449 -6.268 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.302 -4.978 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.696 -4.469 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.892 -4.470 -3.702 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.666 -2.793 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.150 -2.976 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.328 -1.231 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.901 -0.551 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.496 0.137 -3.998 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.065 -5.159 -5.412 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.015 -4.430 -4.710 1.00 0.00 C ATOM 1418 C VAL A 94 -3.072 -2.940 -5.029 1.00 0.00 C ATOM 1419 O VAL A 94 -3.324 -2.549 -6.168 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.619 -4.969 -5.075 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.537 -4.187 -4.345 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.521 -6.453 -4.757 1.00 0.00 C ATOM 0 H VAL A 94 -3.944 -5.202 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.186 -4.576 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.468 -4.839 -6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.442 -4.582 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.595 -3.136 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.682 -4.282 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.528 -6.817 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.693 -6.609 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.271 -6.998 -5.330 1.00 0.00 H new ATOM 1432 N ALA A 95 -2.836 -2.114 -4.016 1.00 0.00 N ATOM 1433 CA ALA A 95 -2.858 -0.667 -4.189 1.00 0.00 C ATOM 1434 C ALA A 95 -1.784 0.004 -3.339 1.00 0.00 C ATOM 1435 O ALA A 95 -1.485 -0.443 -2.232 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.232 -0.114 -3.839 1.00 0.00 C ATOM 0 H ALA A 95 -2.627 -2.422 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.646 -0.448 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.234 0.968 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.981 -0.562 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.466 -0.352 -2.801 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.206 1.079 -3.865 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.166 1.812 -3.154 1.00 0.00 C ATOM 1444 C ALA A 96 -0.769 2.876 -2.243 1.00 0.00 C ATOM 1445 O ALA A 96 -1.784 3.489 -2.575 1.00 0.00 O ATOM 1446 CB ALA A 96 0.801 2.447 -4.142 1.00 0.00 C ATOM 0 H ALA A 96 -1.440 1.461 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 96 0.381 1.105 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.572 2.991 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.265 1.669 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.259 3.136 -4.789 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.139 3.090 -1.094 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.614 4.080 -0.133 1.00 0.00 C ATOM 1454 C LEU A 97 0.472 5.107 0.172 1.00 0.00 C ATOM 1455 O LEU A 97 1.630 4.754 0.400 1.00 0.00 O ATOM 1456 CB LEU A 97 -1.060 3.393 1.159 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.094 2.277 1.003 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -1.992 1.291 2.156 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.497 2.858 0.918 1.00 0.00 C ATOM 0 H LEU A 97 0.702 2.591 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.465 4.599 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.179 2.979 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.470 4.150 1.827 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.887 1.743 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.735 0.504 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.995 0.850 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.172 1.811 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.220 2.049 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.715 3.417 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.563 3.524 0.058 1.00 0.00 H new ATOM 1471 N THR A 98 0.090 6.380 0.178 1.00 0.00 N ATOM 1472 CA THR A 98 1.030 7.459 0.456 1.00 0.00 C ATOM 1473 C THR A 98 0.449 8.450 1.458 1.00 0.00 C ATOM 1474 O THR A 98 -0.721 8.356 1.830 1.00 0.00 O ATOM 1475 CB THR A 98 1.417 8.213 -0.830 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.241 8.719 -1.473 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.171 7.302 -1.786 1.00 0.00 C ATOM 0 H THR A 98 -0.864 6.689 -0.007 1.00 0.00 H new ATOM 0 HA THR A 98 1.922 6.999 0.880 1.00 0.00 H new ATOM 0 HB THR A 98 2.068 9.043 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.376 9.661 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.433 7.857 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.080 6.941 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.541 6.454 -2.053 1.00 0.00 H new ATOM 1485 N ILE A 99 1.272 9.398 1.891 1.00 0.00 N ATOM 1486 CA ILE A 99 0.838 10.408 2.849 1.00 0.00 C ATOM 1487 C ILE A 99 -0.449 11.083 2.389 1.00 0.00 C ATOM 1488 O ILE A 99 -1.318 11.403 3.200 1.00 0.00 O ATOM 1489 CB ILE A 99 1.920 11.482 3.064 1.00 0.00 C ATOM 1490 CG1 ILE A 99 1.452 12.509 4.097 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.259 12.164 1.746 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.565 13.388 4.622 1.00 0.00 C ATOM 0 H ILE A 99 2.244 9.488 1.594 1.00 0.00 H new ATOM 0 HA ILE A 99 0.658 9.892 3.792 1.00 0.00 H new ATOM 0 HB ILE A 99 2.821 10.999 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.683 13.139 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.988 11.986 4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.025 12.921 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.630 11.423 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.365 12.637 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.160 14.092 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.324 12.768 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.014 13.939 3.796 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.566 11.296 1.082 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.748 11.933 0.514 1.00 0.00 C ATOM 1506 C ASN A 100 -3.011 11.157 0.875 1.00 0.00 C ATOM 1507 O ASN A 100 -4.109 11.711 0.893 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.617 12.036 -1.007 1.00 0.00 C ATOM 1509 CG ASN A 100 -0.805 13.243 -1.437 1.00 0.00 C ATOM 1510 OD1 ASN A 100 -1.353 14.231 -1.925 1.00 0.00 O ATOM 1511 ND2 ASN A 100 0.508 13.167 -1.257 1.00 0.00 N ATOM 0 H ASN A 100 0.144 11.037 0.397 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.826 12.936 0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.147 11.130 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.611 12.093 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.106 13.948 -1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.919 12.328 -0.848 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.845 9.869 1.163 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.980 9.037 1.521 1.00 0.00 C ATOM 1520 C GLY A 101 -3.873 7.636 0.952 1.00 0.00 C ATOM 1521 O GLY A 101 -3.143 6.796 1.481 1.00 0.00 O ATOM 0 H GLY A 101 -1.946 9.387 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.057 8.980 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.897 9.503 1.160 1.00 0.00 H new ATOM 1525 N THR A 102 -4.603 7.380 -0.129 1.00 0.00 N ATOM 1526 CA THR A 102 -4.590 6.071 -0.768 1.00 0.00 C ATOM 1527 C THR A 102 -4.133 6.172 -2.219 1.00 0.00 C ATOM 1528 O THR A 102 -3.886 7.264 -2.728 1.00 0.00 O ATOM 1529 CB THR A 102 -5.981 5.410 -0.724 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.964 6.302 -1.263 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.357 5.034 0.701 1.00 0.00 C ATOM 0 H THR A 102 -5.211 8.063 -0.580 1.00 0.00 H new ATOM 0 HA THR A 102 -3.885 5.454 -0.210 1.00 0.00 H new ATOM 0 HB THR A 102 -5.947 4.501 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.845 5.874 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.343 4.569 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.623 4.333 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.375 5.930 1.321 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.024 5.024 -2.881 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.597 5.006 -4.268 1.00 0.00 C ATOM 1541 C GLY A 103 -4.451 4.093 -5.126 1.00 0.00 C ATOM 1542 O GLY A 103 -5.459 3.547 -4.676 1.00 0.00 O ATOM 0 H GLY A 103 -4.224 4.107 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.636 6.018 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.558 4.682 -4.321 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.048 3.917 -6.393 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.770 3.065 -7.342 1.00 0.00 C ATOM 1548 C PRO A 104 -4.654 1.584 -6.997 1.00 0.00 C ATOM 1549 O PRO A 104 -3.680 1.156 -6.379 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.081 3.358 -8.677 1.00 0.00 C ATOM 1551 CG PRO A 104 -2.711 3.810 -8.305 1.00 0.00 C ATOM 1552 CD PRO A 104 -2.856 4.536 -6.996 1.00 0.00 C ATOM 0 HA PRO A 104 -5.840 3.273 -7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.047 2.470 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.613 4.127 -9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.033 2.962 -8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.295 4.465 -9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -1.975 4.409 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.991 5.608 -7.144 1.00 0.00 H new ATOM 1560 N ALA A 105 -5.654 0.807 -7.400 1.00 0.00 N ATOM 1561 CA ALA A 105 -5.662 -0.626 -7.135 1.00 0.00 C ATOM 1562 C ALA A 105 -5.577 -1.425 -8.431 1.00 0.00 C ATOM 1563 O ALA A 105 -6.075 -0.995 -9.472 1.00 0.00 O ATOM 1564 CB ALA A 105 -6.911 -1.012 -6.356 1.00 0.00 C ATOM 0 H ALA A 105 -6.469 1.146 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.784 -0.864 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.904 -2.085 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.929 -0.475 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.796 -0.753 -6.936 1.00 0.00 H new ATOM 1570 N THR A 106 -4.941 -2.590 -8.362 1.00 0.00 N ATOM 1571 CA THR A 106 -4.789 -3.448 -9.531 1.00 0.00 C ATOM 1572 C THR A 106 -6.100 -4.147 -9.874 1.00 0.00 C ATOM 1573 O THR A 106 -6.772 -4.692 -8.998 1.00 0.00 O ATOM 1574 CB THR A 106 -3.697 -4.511 -9.309 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.032 -5.330 -8.183 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.343 -3.856 -9.081 1.00 0.00 C ATOM 0 H THR A 106 -4.523 -2.961 -7.509 1.00 0.00 H new ATOM 0 HA THR A 106 -4.496 -2.804 -10.360 1.00 0.00 H new ATOM 0 HB THR A 106 -3.637 -5.131 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.421 -6.173 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.588 -4.626 -8.927 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.077 -3.257 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.393 -3.215 -8.201 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.457 -4.128 -11.153 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.688 -4.762 -11.613 1.00 0.00 C ATOM 1586 C ASP A 107 -7.934 -6.072 -10.871 1.00 0.00 C ATOM 1587 O ASP A 107 -7.007 -6.849 -10.639 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.622 -5.019 -13.119 1.00 0.00 C ATOM 1589 CG ASP A 107 -6.734 -4.023 -13.839 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -7.034 -2.812 -13.783 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -5.738 -4.454 -14.456 1.00 0.00 O ATOM 0 H ASP A 107 -5.912 -3.681 -11.890 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.517 -4.086 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.249 -6.028 -13.296 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.628 -4.973 -13.537 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.187 -6.310 -10.501 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.555 -7.526 -9.785 1.00 0.00 C ATOM 1598 C TRP A 108 -9.034 -8.763 -10.508 1.00 0.00 C ATOM 1599 O TRP A 108 -9.582 -9.172 -11.532 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.074 -7.612 -9.630 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.602 -6.798 -8.488 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.487 -5.760 -8.561 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.277 -6.954 -7.102 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.731 -5.261 -7.305 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.002 -5.977 -6.392 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.447 -7.825 -6.392 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -11.919 -5.848 -5.008 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.365 -7.695 -5.019 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.098 -6.714 -4.339 1.00 0.00 C ATOM 0 H TRP A 108 -9.965 -5.677 -10.685 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.098 -7.487 -8.796 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.546 -7.277 -10.554 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.359 -8.654 -9.486 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -12.930 -5.387 -9.473 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.354 -4.483 -7.087 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -9.880 -8.586 -6.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.482 -5.092 -4.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -9.725 -8.361 -4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.013 -6.640 -3.265 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.973 -9.354 -9.970 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.378 -10.546 -10.565 1.00 0.00 C ATOM 1622 C LEU A 109 -7.854 -11.807 -9.851 1.00 0.00 C ATOM 1623 O LEU A 109 -7.524 -12.035 -8.687 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.851 -10.460 -10.508 1.00 0.00 C ATOM 1625 CG LEU A 109 -5.098 -11.144 -11.650 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.450 -10.500 -12.983 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.597 -11.087 -11.408 1.00 0.00 C ATOM 0 H LEU A 109 -7.507 -9.028 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.695 -10.599 -11.607 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.567 -9.408 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.517 -10.896 -9.567 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.401 -12.190 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.905 -11.000 -13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.521 -10.593 -13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.176 -9.445 -12.961 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.077 -11.578 -12.230 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.278 -10.047 -11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.360 -11.595 -10.473 1.00 0.00 H new ATOM 1639 N SER A 110 -8.630 -12.623 -10.557 1.00 0.00 N ATOM 1640 CA SER A 110 -9.153 -13.860 -9.990 1.00 0.00 C ATOM 1641 C SER A 110 -8.110 -14.972 -10.056 1.00 0.00 C ATOM 1642 O SER A 110 -7.297 -15.021 -10.979 1.00 0.00 O ATOM 1643 CB SER A 110 -10.421 -14.290 -10.732 1.00 0.00 C ATOM 1644 OG SER A 110 -11.413 -13.279 -10.674 1.00 0.00 O ATOM 0 H SER A 110 -8.910 -12.450 -11.522 1.00 0.00 H new ATOM 0 HA SER A 110 -9.397 -13.676 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.181 -14.509 -11.772 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.808 -15.210 -10.294 1.00 0.00 H new ATOM 0 HG SER A 110 -12.212 -13.577 -11.156 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.141 -15.863 -9.070 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.200 -16.975 -9.017 1.00 0.00 C ATOM 1652 C ALA A 111 -7.838 -18.202 -8.375 1.00 0.00 C ATOM 1653 O ALA A 111 -8.431 -18.114 -7.301 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.947 -16.570 -8.255 1.00 0.00 C ATOM 0 H ALA A 111 -8.807 -15.836 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.923 -17.234 -10.039 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.253 -17.410 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.473 -15.726 -8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.216 -16.283 -7.238 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.711 -19.346 -9.041 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.278 -20.591 -8.535 1.00 0.00 C ATOM 1662 C GLU A 112 -7.207 -21.437 -7.851 1.00 0.00 C ATOM 1663 O GLU A 112 -6.196 -21.790 -8.458 1.00 0.00 O ATOM 1664 CB GLU A 112 -8.920 -21.385 -9.674 1.00 0.00 C ATOM 1665 CG GLU A 112 -9.962 -22.387 -9.205 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.923 -22.788 -10.307 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -10.448 -23.202 -11.386 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -12.149 -22.689 -10.092 1.00 0.00 O ATOM 0 H GLU A 112 -7.221 -19.436 -9.931 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.043 -20.340 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.385 -20.690 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.140 -21.914 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.460 -23.276 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.525 -21.959 -8.375 1.00 0.00 H new ATOM 1675 N THR A 113 -7.437 -21.758 -6.581 1.00 0.00 N ATOM 1676 CA THR A 113 -6.493 -22.560 -5.813 1.00 0.00 C ATOM 1677 C THR A 113 -6.450 -23.996 -6.323 1.00 0.00 C ATOM 1678 O THR A 113 -7.270 -24.397 -7.149 1.00 0.00 O ATOM 1679 CB THR A 113 -6.853 -22.570 -4.315 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.276 -22.575 -4.153 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.261 -21.360 -3.609 1.00 0.00 C ATOM 0 H THR A 113 -8.269 -21.475 -6.063 1.00 0.00 H new ATOM 0 HA THR A 113 -5.512 -22.102 -5.940 1.00 0.00 H new ATOM 0 HB THR A 113 -6.434 -23.472 -3.869 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.504 -22.251 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.528 -21.388 -2.553 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.176 -21.375 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.654 -20.448 -4.058 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.489 -24.767 -5.825 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.339 -26.160 -6.231 1.00 0.00 C ATOM 1691 C PHE A 114 -6.265 -27.065 -5.423 1.00 0.00 C ATOM 1692 O PHE A 114 -6.189 -27.110 -4.196 1.00 0.00 O ATOM 1693 CB PHE A 114 -3.887 -26.611 -6.056 1.00 0.00 C ATOM 1694 CG PHE A 114 -2.897 -25.731 -6.765 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -2.858 -25.685 -8.149 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.004 -24.952 -6.046 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -1.949 -24.876 -8.804 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.093 -24.142 -6.696 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.064 -24.105 -8.077 1.00 0.00 C ATOM 0 H PHE A 114 -4.803 -24.451 -5.140 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.612 -26.237 -7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.647 -26.632 -4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.785 -27.631 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.546 -26.288 -8.723 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.021 -24.979 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.931 -24.847 -9.883 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.404 -23.538 -6.125 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.351 -23.474 -8.587 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.139 -27.782 -6.122 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.081 -28.684 -5.470 1.00 0.00 C ATOM 1711 C GLU A 115 -7.426 -29.392 -4.287 1.00 0.00 C ATOM 1712 O GLU A 115 -8.063 -29.623 -3.259 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.607 -29.717 -6.469 1.00 0.00 C ATOM 1714 CG GLU A 115 -9.827 -29.249 -7.244 1.00 0.00 C ATOM 1715 CD GLU A 115 -10.067 -30.062 -8.501 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -9.107 -30.689 -8.996 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -11.216 -30.071 -8.990 1.00 0.00 O ATOM 0 H GLU A 115 -7.214 -27.756 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.916 -28.090 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.813 -29.966 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.857 -30.633 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.706 -29.311 -6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.702 -28.200 -7.513 1.00 0.00 H new ATOM 1724 N SER A 116 -6.151 -29.734 -4.441 1.00 0.00 N ATOM 1725 CA SER A 116 -5.411 -30.419 -3.388 1.00 0.00 C ATOM 1726 C SER A 116 -3.930 -30.053 -3.439 1.00 0.00 C ATOM 1727 O SER A 116 -3.483 -29.353 -4.348 1.00 0.00 O ATOM 1728 CB SER A 116 -5.578 -31.934 -3.521 1.00 0.00 C ATOM 1729 OG SER A 116 -6.948 -32.294 -3.555 1.00 0.00 O ATOM 0 H SER A 116 -5.609 -29.548 -5.285 1.00 0.00 H new ATOM 0 HA SER A 116 -5.814 -30.099 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.085 -32.279 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.088 -32.432 -2.684 1.00 0.00 H new ATOM 0 HG SER A 116 -7.029 -33.267 -3.642 1.00 0.00 H new