USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 633 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 19 MET CE :methyl 178:sc= -3.67 (180deg=-3.72) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 140:sc= -0.0472 (180deg=-0.036) USER MOD Set 2.1: A 96 MET CE :methyl -178:sc= -3.93! (180deg=-3.94!) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 86 LYS NZ :NH3+ 136:sc= 0.0415 (180deg=0) USER MOD Set 3.2: A 89 THR OG1 : rot 75:sc= 0.905 USER MOD Set 4.1: A 31 THR OG1 : rot -88:sc= 0.747 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -0.21 K(o=0.54,f=-3.8!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 38 SER OG : rot -10:sc= 1.25 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 109:sc= 0.939 USER MOD Single : A 62 THR OG1 : rot 180:sc=0.000408 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 161:sc= 0.0959 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -3.13! C(o=-4!,f=-3.1!) USER MOD Single : A 90 MET CE :methyl -147:sc= -0.447 (180deg=-1.76!) USER MOD Single : A 91 TYR OH : rot 84:sc= 0.8 USER MOD Single : A 94 SER OG : rot 82:sc= -0.722 USER MOD Single : A 100 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0.00419 USER MOD Single : A 104 SER OG : rot 180:sc= -0.609! USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 107 SER OG : rot -80:sc= -4.05! USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-2.1) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 114 THR OG1 : rot -169:sc= 0.719 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.733 17.948 3.521 1.00 0.00 N ATOM 226 CA MET A 19 3.827 17.226 2.635 1.00 0.00 C ATOM 227 C MET A 19 2.826 16.401 3.437 1.00 0.00 C ATOM 228 O MET A 19 2.993 16.201 4.641 1.00 0.00 O ATOM 229 CB MET A 19 4.618 16.315 1.694 1.00 0.00 C ATOM 230 CG MET A 19 5.324 17.064 0.576 1.00 0.00 C ATOM 231 SD MET A 19 4.175 17.773 -0.619 1.00 0.00 S ATOM 232 CE MET A 19 3.779 16.330 -1.604 1.00 0.00 C ATOM 0 HA MET A 19 3.277 17.958 2.043 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.357 15.762 2.273 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.941 15.581 1.258 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.933 17.860 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.004 16.385 0.062 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.048 16.599 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.684 15.957 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.363 15.554 -0.962 1.00 0.00 H new ATOM 242 N LEU A 20 1.785 15.923 2.764 1.00 0.00 N ATOM 243 CA LEU A 20 0.756 15.119 3.414 1.00 0.00 C ATOM 244 C LEU A 20 0.421 13.886 2.581 1.00 0.00 C ATOM 245 O LEU A 20 -0.097 13.981 1.468 1.00 0.00 O ATOM 246 CB LEU A 20 -0.505 15.955 3.639 1.00 0.00 C ATOM 247 CG LEU A 20 -1.345 15.587 4.863 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.049 14.257 4.647 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.474 15.535 6.110 1.00 0.00 C ATOM 0 H LEU A 20 1.631 16.078 1.768 1.00 0.00 H new ATOM 0 HA LEU A 20 1.143 14.789 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.212 17.001 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.135 15.872 2.753 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.103 16.357 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.642 14.012 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.703 14.329 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.308 13.476 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.088 15.272 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.306 14.786 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.016 16.510 6.275 1.00 0.00 H new ATOM 261 N PRO A 21 0.720 12.701 3.131 1.00 0.00 N ATOM 262 CA PRO A 21 0.457 11.426 2.458 1.00 0.00 C ATOM 263 C PRO A 21 -1.033 11.116 2.364 1.00 0.00 C ATOM 264 O PRO A 21 -1.855 11.679 3.087 1.00 0.00 O ATOM 265 CB PRO A 21 1.161 10.401 3.350 1.00 0.00 C ATOM 266 CG PRO A 21 1.201 11.035 4.697 1.00 0.00 C ATOM 267 CD PRO A 21 1.339 12.513 4.455 1.00 0.00 C ATOM 0 HA PRO A 21 0.812 11.429 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.617 9.457 3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.165 10.182 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.294 10.815 5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.039 10.655 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.830 13.095 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.383 12.825 4.458 1.00 0.00 H new ATOM 275 N PRO A 22 -1.392 10.200 1.453 1.00 0.00 N ATOM 276 CA PRO A 22 -2.785 9.794 1.245 1.00 0.00 C ATOM 277 C PRO A 22 -3.336 8.988 2.416 1.00 0.00 C ATOM 278 O PRO A 22 -2.641 8.759 3.406 1.00 0.00 O ATOM 279 CB PRO A 22 -2.718 8.928 -0.016 1.00 0.00 C ATOM 280 CG PRO A 22 -1.322 8.408 -0.043 1.00 0.00 C ATOM 281 CD PRO A 22 -0.465 9.488 0.557 1.00 0.00 C ATOM 0 HA PRO A 22 -3.450 10.653 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.443 8.115 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.941 9.511 -0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.239 7.483 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.009 8.183 -1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.382 9.072 1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.058 10.149 -0.208 1.00 0.00 H new ATOM 289 N VAL A 23 -4.589 8.560 2.297 1.00 0.00 N ATOM 290 CA VAL A 23 -5.232 7.778 3.346 1.00 0.00 C ATOM 291 C VAL A 23 -6.173 6.734 2.754 1.00 0.00 C ATOM 292 O VAL A 23 -6.273 6.593 1.536 1.00 0.00 O ATOM 293 CB VAL A 23 -6.026 8.679 4.311 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.158 9.826 4.805 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.284 9.203 3.637 1.00 0.00 C ATOM 0 H VAL A 23 -5.179 8.742 1.485 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.438 7.276 3.899 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.326 8.084 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.735 10.452 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.290 9.426 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.826 10.423 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.832 9.837 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.010 9.783 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.913 8.364 3.338 1.00 0.00 H new ATOM 305 N GLY A 24 -6.860 6.003 3.626 1.00 0.00 N ATOM 306 CA GLY A 24 -7.784 4.980 3.171 1.00 0.00 C ATOM 307 C GLY A 24 -7.186 4.095 2.096 1.00 0.00 C ATOM 308 O GLY A 24 -7.836 3.796 1.095 1.00 0.00 O ATOM 0 H GLY A 24 -6.794 6.101 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.085 4.364 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.686 5.455 2.786 1.00 0.00 H new ATOM 312 N VAL A 25 -5.942 3.675 2.303 1.00 0.00 N ATOM 313 CA VAL A 25 -5.255 2.819 1.343 1.00 0.00 C ATOM 314 C VAL A 25 -5.792 1.393 1.396 1.00 0.00 C ATOM 315 O VAL A 25 -5.562 0.668 2.363 1.00 0.00 O ATOM 316 CB VAL A 25 -3.736 2.794 1.599 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.011 2.119 0.445 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.210 4.204 1.819 1.00 0.00 C ATOM 0 H VAL A 25 -5.390 3.913 3.127 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.442 3.238 0.354 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.547 2.215 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.939 2.111 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.369 1.095 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.205 2.667 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.135 4.168 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.410 4.809 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.707 4.647 2.682 1.00 0.00 H new ATOM 328 N GLN A 26 -6.508 0.997 0.348 1.00 0.00 N ATOM 329 CA GLN A 26 -7.078 -0.343 0.276 1.00 0.00 C ATOM 330 C GLN A 26 -6.419 -1.156 -0.834 1.00 0.00 C ATOM 331 O GLN A 26 -6.228 -0.666 -1.946 1.00 0.00 O ATOM 332 CB GLN A 26 -8.588 -0.266 0.040 1.00 0.00 C ATOM 333 CG GLN A 26 -9.272 -1.624 0.034 1.00 0.00 C ATOM 334 CD GLN A 26 -10.780 -1.517 0.150 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.357 -0.451 -0.066 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.428 -2.624 0.493 1.00 0.00 N ATOM 0 H GLN A 26 -6.707 1.585 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.891 -0.842 1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.037 0.355 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.774 0.230 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.018 -2.151 -0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.889 -2.223 0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.910 -3.486 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.444 -2.612 0.587 1.00 0.00 H new ATOM 345 N ALA A 27 -6.072 -2.401 -0.522 1.00 0.00 N ATOM 346 CA ALA A 27 -5.436 -3.282 -1.494 1.00 0.00 C ATOM 347 C ALA A 27 -6.392 -4.379 -1.949 1.00 0.00 C ATOM 348 O ALA A 27 -6.607 -5.363 -1.240 1.00 0.00 O ATOM 349 CB ALA A 27 -4.172 -3.891 -0.905 1.00 0.00 C ATOM 0 H ALA A 27 -6.221 -2.822 0.395 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.167 -2.687 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.707 -4.547 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.476 -3.096 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.426 -4.467 -0.015 1.00 0.00 H new ATOM 355 N VAL A 28 -6.965 -4.204 -3.136 1.00 0.00 N ATOM 356 CA VAL A 28 -7.898 -5.179 -3.686 1.00 0.00 C ATOM 357 C VAL A 28 -7.169 -6.229 -4.518 1.00 0.00 C ATOM 358 O VAL A 28 -6.307 -5.901 -5.331 1.00 0.00 O ATOM 359 CB VAL A 28 -8.969 -4.501 -4.559 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.051 -5.497 -4.949 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.570 -3.306 -3.834 1.00 0.00 C ATOM 0 H VAL A 28 -6.799 -3.395 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.384 -5.664 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.493 -4.142 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.799 -4.999 -5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.605 -6.317 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.526 -5.889 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.325 -2.839 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.031 -3.639 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.785 -2.583 -3.612 1.00 0.00 H new ATOM 371 N ALA A 29 -7.523 -7.493 -4.308 1.00 0.00 N ATOM 372 CA ALA A 29 -6.905 -8.591 -5.040 1.00 0.00 C ATOM 373 C ALA A 29 -7.758 -9.002 -6.235 1.00 0.00 C ATOM 374 O ALA A 29 -8.829 -9.589 -6.075 1.00 0.00 O ATOM 375 CB ALA A 29 -6.678 -9.779 -4.117 1.00 0.00 C ATOM 0 H ALA A 29 -8.235 -7.781 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.941 -8.248 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.216 -10.592 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.022 -9.484 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.634 -10.114 -3.713 1.00 0.00 H new ATOM 381 N LEU A 30 -7.277 -8.690 -7.434 1.00 0.00 N ATOM 382 CA LEU A 30 -7.996 -9.027 -8.658 1.00 0.00 C ATOM 383 C LEU A 30 -7.809 -10.499 -9.012 1.00 0.00 C ATOM 384 O LEU A 30 -8.780 -11.233 -9.198 1.00 0.00 O ATOM 385 CB LEU A 30 -7.516 -8.148 -9.814 1.00 0.00 C ATOM 386 CG LEU A 30 -7.437 -6.648 -9.528 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.485 -5.969 -10.500 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.819 -6.017 -9.603 1.00 0.00 C ATOM 0 H LEU A 30 -6.393 -8.204 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.057 -8.845 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.528 -8.492 -10.120 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.183 -8.301 -10.662 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.051 -6.510 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.442 -4.902 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.490 -6.401 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.840 -6.116 -11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.743 -4.949 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.233 -6.165 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.472 -6.483 -8.866 1.00 0.00 H new ATOM 400 N THR A 31 -6.553 -10.926 -9.101 1.00 0.00 N ATOM 401 CA THR A 31 -6.237 -12.310 -9.432 1.00 0.00 C ATOM 402 C THR A 31 -4.953 -12.760 -8.745 1.00 0.00 C ATOM 403 O THR A 31 -4.284 -11.970 -8.077 1.00 0.00 O ATOM 404 CB THR A 31 -6.089 -12.504 -10.952 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.384 -13.861 -11.304 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.680 -12.153 -11.408 1.00 0.00 C ATOM 0 H THR A 31 -5.738 -10.333 -8.948 1.00 0.00 H new ATOM 0 HA THR A 31 -7.068 -12.918 -9.075 1.00 0.00 H new ATOM 0 HB THR A 31 -6.793 -11.838 -11.451 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.570 -14.402 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.600 -12.298 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.468 -11.112 -11.165 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.962 -12.798 -10.901 1.00 0.00 H new ATOM 414 N HIS A 32 -4.612 -14.033 -8.914 1.00 0.00 N ATOM 415 CA HIS A 32 -3.405 -14.588 -8.310 1.00 0.00 C ATOM 416 C HIS A 32 -2.222 -13.644 -8.496 1.00 0.00 C ATOM 417 O HIS A 32 -1.477 -13.374 -7.553 1.00 0.00 O ATOM 418 CB HIS A 32 -3.085 -15.952 -8.922 1.00 0.00 C ATOM 419 CG HIS A 32 -3.133 -15.963 -10.419 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.311 -15.967 -11.135 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.137 -15.970 -11.337 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.039 -15.977 -12.427 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.727 -15.979 -12.577 1.00 0.00 N ATOM 0 H HIS A 32 -5.154 -14.700 -9.464 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.585 -14.710 -7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.093 -16.263 -8.596 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.792 -16.688 -8.539 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.077 -15.969 -11.132 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.766 -15.983 -13.226 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.232 -15.986 -13.469 1.00 0.00 H new ATOM 432 N ASP A 33 -2.054 -13.145 -9.716 1.00 0.00 N ATOM 433 CA ASP A 33 -0.961 -12.231 -10.024 1.00 0.00 C ATOM 434 C ASP A 33 -1.495 -10.848 -10.384 1.00 0.00 C ATOM 435 O ASP A 33 -1.006 -10.205 -11.312 1.00 0.00 O ATOM 436 CB ASP A 33 -0.117 -12.781 -11.176 1.00 0.00 C ATOM 437 CG ASP A 33 -0.937 -13.029 -12.427 1.00 0.00 C ATOM 438 OD1 ASP A 33 -1.740 -12.146 -12.794 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.776 -14.106 -13.038 1.00 0.00 O ATOM 0 H ASP A 33 -2.661 -13.358 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.335 -12.140 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.684 -12.078 -11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.355 -13.712 -10.864 1.00 0.00 H new ATOM 444 N ALA A 34 -2.502 -10.397 -9.644 1.00 0.00 N ATOM 445 CA ALA A 34 -3.102 -9.090 -9.884 1.00 0.00 C ATOM 446 C ALA A 34 -3.700 -8.517 -8.603 1.00 0.00 C ATOM 447 O ALA A 34 -4.413 -9.208 -7.875 1.00 0.00 O ATOM 448 CB ALA A 34 -4.166 -9.189 -10.967 1.00 0.00 C ATOM 0 H ALA A 34 -2.920 -10.918 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.317 -8.413 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.606 -8.206 -11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.712 -9.547 -11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.943 -9.885 -10.651 1.00 0.00 H new ATOM 454 N VAL A 35 -3.404 -7.249 -8.333 1.00 0.00 N ATOM 455 CA VAL A 35 -3.912 -6.583 -7.141 1.00 0.00 C ATOM 456 C VAL A 35 -4.201 -5.111 -7.414 1.00 0.00 C ATOM 457 O VAL A 35 -3.292 -4.333 -7.705 1.00 0.00 O ATOM 458 CB VAL A 35 -2.916 -6.690 -5.970 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.193 -5.612 -4.933 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.980 -8.074 -5.343 1.00 0.00 C ATOM 0 H VAL A 35 -2.815 -6.663 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.839 -7.088 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.908 -6.537 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.480 -5.703 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.092 -4.629 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.206 -5.730 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.270 -8.133 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.987 -8.258 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.728 -8.825 -6.092 1.00 0.00 H new ATOM 470 N ARG A 36 -5.472 -4.736 -7.319 1.00 0.00 N ATOM 471 CA ARG A 36 -5.881 -3.357 -7.557 1.00 0.00 C ATOM 472 C ARG A 36 -5.755 -2.525 -6.284 1.00 0.00 C ATOM 473 O ARG A 36 -6.619 -2.574 -5.409 1.00 0.00 O ATOM 474 CB ARG A 36 -7.322 -3.311 -8.068 1.00 0.00 C ATOM 475 CG ARG A 36 -7.925 -1.916 -8.067 1.00 0.00 C ATOM 476 CD ARG A 36 -7.360 -1.064 -9.192 1.00 0.00 C ATOM 477 NE ARG A 36 -8.080 -1.267 -10.447 1.00 0.00 N ATOM 478 CZ ARG A 36 -7.907 -0.510 -11.524 1.00 0.00 C ATOM 479 NH1 ARG A 36 -7.043 0.495 -11.501 1.00 0.00 N ATOM 480 NH2 ARG A 36 -8.600 -0.758 -12.629 1.00 0.00 N ATOM 0 H ARG A 36 -6.236 -5.367 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.220 -2.934 -8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.352 -3.710 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.938 -3.964 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.008 -1.986 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.728 -1.434 -7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.411 -0.012 -8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.307 -1.305 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.752 -2.032 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.509 0.689 -10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.913 1.075 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.266 -1.530 -12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.467 -0.176 -13.456 1.00 0.00 H new ATOM 494 N VAL A 37 -4.671 -1.761 -6.187 1.00 0.00 N ATOM 495 CA VAL A 37 -4.432 -0.917 -5.022 1.00 0.00 C ATOM 496 C VAL A 37 -5.017 0.476 -5.223 1.00 0.00 C ATOM 497 O VAL A 37 -4.508 1.267 -6.017 1.00 0.00 O ATOM 498 CB VAL A 37 -2.927 -0.791 -4.721 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.697 0.113 -3.520 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.313 -2.164 -4.491 1.00 0.00 C ATOM 0 H VAL A 37 -3.945 -1.709 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.926 -1.396 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.438 -0.340 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.628 0.190 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.100 1.104 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.198 -0.307 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.249 -2.056 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.804 -2.645 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.445 -2.776 -5.383 1.00 0.00 H new ATOM 510 N SER A 38 -6.091 0.771 -4.497 1.00 0.00 N ATOM 511 CA SER A 38 -6.749 2.068 -4.597 1.00 0.00 C ATOM 512 C SER A 38 -6.725 2.794 -3.256 1.00 0.00 C ATOM 513 O SER A 38 -6.672 2.166 -2.198 1.00 0.00 O ATOM 514 CB SER A 38 -8.194 1.896 -5.071 1.00 0.00 C ATOM 515 OG SER A 38 -8.620 3.018 -5.824 1.00 0.00 O ATOM 0 H SER A 38 -6.524 0.129 -3.833 1.00 0.00 H new ATOM 0 HA SER A 38 -6.204 2.669 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.276 0.994 -5.678 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.849 1.762 -4.210 1.00 0.00 H new ATOM 0 HG SER A 38 -7.960 3.737 -5.741 1.00 0.00 H new ATOM 521 N TRP A 39 -6.764 4.121 -3.308 1.00 0.00 N ATOM 522 CA TRP A 39 -6.746 4.934 -2.097 1.00 0.00 C ATOM 523 C TRP A 39 -7.569 6.204 -2.282 1.00 0.00 C ATOM 524 O TRP A 39 -8.174 6.415 -3.333 1.00 0.00 O ATOM 525 CB TRP A 39 -5.308 5.293 -1.720 1.00 0.00 C ATOM 526 CG TRP A 39 -4.570 6.012 -2.809 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.372 7.359 -2.913 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.935 5.421 -3.948 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.652 7.641 -4.049 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.371 6.470 -4.700 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.787 4.109 -4.404 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.671 6.244 -5.883 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.092 3.887 -5.578 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.541 4.949 -6.306 1.00 0.00 C ATOM 0 H TRP A 39 -6.808 4.656 -4.175 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.190 4.350 -1.291 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.319 5.916 -0.826 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.768 4.381 -1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.729 8.094 -2.207 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.372 8.572 -4.357 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.208 3.283 -3.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.246 7.062 -6.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.972 2.877 -5.940 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.003 4.742 -7.219 1.00 0.00 H new ATOM 545 N ALA A 40 -7.586 7.048 -1.256 1.00 0.00 N ATOM 546 CA ALA A 40 -8.332 8.299 -1.308 1.00 0.00 C ATOM 547 C ALA A 40 -7.396 9.501 -1.246 1.00 0.00 C ATOM 548 O ALA A 40 -6.199 9.355 -0.994 1.00 0.00 O ATOM 549 CB ALA A 40 -9.344 8.357 -0.173 1.00 0.00 C ATOM 0 H ALA A 40 -7.091 6.888 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.865 8.336 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.894 9.297 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.040 7.523 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.823 8.293 0.782 1.00 0.00 H new ATOM 555 N ASP A 41 -7.946 10.687 -1.478 1.00 0.00 N ATOM 556 CA ASP A 41 -7.160 11.914 -1.448 1.00 0.00 C ATOM 557 C ASP A 41 -7.848 12.980 -0.600 1.00 0.00 C ATOM 558 O ASP A 41 -8.942 13.436 -0.928 1.00 0.00 O ATOM 559 CB ASP A 41 -6.938 12.438 -2.867 1.00 0.00 C ATOM 560 CG ASP A 41 -8.240 12.724 -3.589 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.285 12.192 -3.159 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.215 13.480 -4.583 1.00 0.00 O ATOM 0 H ASP A 41 -8.934 10.825 -1.689 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.194 11.686 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.341 13.349 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.364 11.707 -3.436 1.00 0.00 H new ATOM 753 N ARG A 54 1.680 17.242 -9.284 1.00 0.00 N ATOM 754 CA ARG A 54 1.988 16.231 -8.280 1.00 0.00 C ATOM 755 C ARG A 54 1.979 14.834 -8.895 1.00 0.00 C ATOM 756 O ARG A 54 1.301 14.588 -9.894 1.00 0.00 O ATOM 757 CB ARG A 54 0.981 16.300 -7.131 1.00 0.00 C ATOM 758 CG ARG A 54 -0.406 16.749 -7.562 1.00 0.00 C ATOM 759 CD ARG A 54 -1.203 15.599 -8.158 1.00 0.00 C ATOM 760 NE ARG A 54 -2.469 16.049 -8.730 1.00 0.00 N ATOM 761 CZ ARG A 54 -2.561 16.728 -9.869 1.00 0.00 C ATOM 762 NH1 ARG A 54 -1.467 17.032 -10.553 1.00 0.00 N ATOM 763 NH2 ARG A 54 -3.749 17.102 -10.325 1.00 0.00 N ATOM 0 HA ARG A 54 2.986 16.432 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.907 15.318 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.356 16.986 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.940 17.158 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.319 17.551 -8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.610 15.109 -8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.398 14.855 -7.386 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.330 15.830 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.552 16.745 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.540 17.553 -11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.593 16.869 -9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.819 17.623 -11.199 1.00 0.00 H new ATOM 777 N LEU A 55 2.736 13.924 -8.293 1.00 0.00 N ATOM 778 CA LEU A 55 2.816 12.551 -8.781 1.00 0.00 C ATOM 779 C LEU A 55 2.697 11.557 -7.630 1.00 0.00 C ATOM 780 O LEU A 55 3.314 11.731 -6.579 1.00 0.00 O ATOM 781 CB LEU A 55 4.133 12.331 -9.527 1.00 0.00 C ATOM 782 CG LEU A 55 4.504 10.876 -9.818 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.970 10.451 -11.177 1.00 0.00 C ATOM 784 CD2 LEU A 55 6.012 10.687 -9.753 1.00 0.00 C ATOM 0 H LEU A 55 3.303 14.111 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 55 1.985 12.385 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.086 12.869 -10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.937 12.781 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 55 4.046 10.245 -9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.244 9.413 -11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.884 10.548 -11.188 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.399 11.087 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.258 9.646 -9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.491 11.329 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.369 10.951 -8.758 1.00 0.00 H new ATOM 796 N TYR A 56 1.903 10.513 -7.838 1.00 0.00 N ATOM 797 CA TYR A 56 1.703 9.490 -6.818 1.00 0.00 C ATOM 798 C TYR A 56 2.542 8.251 -7.118 1.00 0.00 C ATOM 799 O TYR A 56 2.577 7.769 -8.250 1.00 0.00 O ATOM 800 CB TYR A 56 0.224 9.109 -6.730 1.00 0.00 C ATOM 801 CG TYR A 56 -0.608 10.091 -5.936 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.551 11.454 -6.202 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.449 9.656 -4.920 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.308 12.355 -5.479 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.211 10.550 -4.192 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.137 11.898 -4.475 1.00 0.00 C ATOM 807 OH TYR A 56 -2.894 12.791 -3.752 1.00 0.00 O ATOM 0 H TYR A 56 1.387 10.353 -8.703 1.00 0.00 H new ATOM 0 HA TYR A 56 2.023 9.901 -5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.183 9.032 -7.738 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.138 8.122 -6.275 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.096 11.815 -6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.509 8.601 -4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.251 13.411 -5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.861 10.195 -3.406 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.423 12.306 -3.084 1.00 0.00 H new ATOM 817 N THR A 57 3.216 7.739 -6.093 1.00 0.00 N ATOM 818 CA THR A 57 4.055 6.557 -6.244 1.00 0.00 C ATOM 819 C THR A 57 3.471 5.367 -5.491 1.00 0.00 C ATOM 820 O THR A 57 2.933 5.518 -4.394 1.00 0.00 O ATOM 821 CB THR A 57 5.487 6.816 -5.740 1.00 0.00 C ATOM 822 OG1 THR A 57 5.978 8.051 -6.272 1.00 0.00 O ATOM 823 CG2 THR A 57 6.416 5.680 -6.140 1.00 0.00 C ATOM 0 H THR A 57 3.197 8.125 -5.149 1.00 0.00 H new ATOM 0 HA THR A 57 4.088 6.328 -7.309 1.00 0.00 H new ATOM 0 HB THR A 57 5.460 6.875 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.021 8.721 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.421 5.886 -5.773 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.056 4.746 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.437 5.593 -7.226 1.00 0.00 H new ATOM 831 N VAL A 58 3.579 4.184 -6.087 1.00 0.00 N ATOM 832 CA VAL A 58 3.063 2.968 -5.471 1.00 0.00 C ATOM 833 C VAL A 58 4.139 1.891 -5.394 1.00 0.00 C ATOM 834 O VAL A 58 4.654 1.439 -6.417 1.00 0.00 O ATOM 835 CB VAL A 58 1.854 2.415 -6.248 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.253 1.221 -5.522 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.811 3.503 -6.456 1.00 0.00 C ATOM 0 H VAL A 58 4.019 4.042 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 58 2.747 3.234 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 58 2.196 2.080 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.400 0.844 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.003 0.436 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.925 1.527 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.036 3.094 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.471 3.871 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.250 4.324 -7.023 1.00 0.00 H new ATOM 847 N ARG A 59 4.475 1.483 -4.174 1.00 0.00 N ATOM 848 CA ARG A 59 5.491 0.459 -3.963 1.00 0.00 C ATOM 849 C ARG A 59 4.920 -0.720 -3.181 1.00 0.00 C ATOM 850 O ARG A 59 4.025 -0.553 -2.352 1.00 0.00 O ATOM 851 CB ARG A 59 6.691 1.047 -3.218 1.00 0.00 C ATOM 852 CG ARG A 59 6.460 1.210 -1.724 1.00 0.00 C ATOM 853 CD ARG A 59 7.756 1.513 -0.990 1.00 0.00 C ATOM 854 NE ARG A 59 7.518 2.178 0.289 1.00 0.00 N ATOM 855 CZ ARG A 59 8.479 2.455 1.163 1.00 0.00 C ATOM 856 NH1 ARG A 59 9.736 2.128 0.897 1.00 0.00 N ATOM 857 NH2 ARG A 59 8.184 3.062 2.305 1.00 0.00 N ATOM 0 H ARG A 59 4.058 1.846 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 59 5.818 0.101 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.557 0.403 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.934 2.019 -3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.746 2.015 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.017 0.299 -1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.302 0.585 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.388 2.144 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 59 6.562 2.444 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.967 1.663 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.472 2.342 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.218 3.316 2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.923 3.274 2.975 1.00 0.00 H new ATOM 871 N TRP A 60 5.444 -1.910 -3.450 1.00 0.00 N ATOM 872 CA TRP A 60 4.986 -3.118 -2.772 1.00 0.00 C ATOM 873 C TRP A 60 6.116 -4.134 -2.647 1.00 0.00 C ATOM 874 O TRP A 60 6.798 -4.441 -3.625 1.00 0.00 O ATOM 875 CB TRP A 60 3.808 -3.736 -3.527 1.00 0.00 C ATOM 876 CG TRP A 60 4.106 -4.010 -4.970 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.543 -5.186 -5.508 1.00 0.00 C ATOM 878 CD2 TRP A 60 3.990 -3.087 -6.059 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.706 -5.051 -6.866 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.372 -3.773 -7.228 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.599 -1.749 -6.160 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.375 -3.164 -8.480 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.602 -1.146 -7.403 1.00 0.00 C ATOM 884 CH2 TRP A 60 3.987 -1.853 -8.550 1.00 0.00 C ATOM 0 H TRP A 60 6.186 -2.065 -4.132 1.00 0.00 H new ATOM 0 HA TRP A 60 4.660 -2.841 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.522 -4.668 -3.039 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.951 -3.065 -3.461 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.733 -6.090 -4.949 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.024 -5.783 -7.501 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.300 -1.196 -5.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.673 -3.707 -9.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.303 -0.112 -7.492 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.977 -1.354 -9.508 1.00 0.00 H new ATOM 895 N ARG A 61 6.309 -4.652 -1.438 1.00 0.00 N ATOM 896 CA ARG A 61 7.358 -5.633 -1.186 1.00 0.00 C ATOM 897 C ARG A 61 6.805 -6.838 -0.432 1.00 0.00 C ATOM 898 O ARG A 61 5.935 -6.701 0.429 1.00 0.00 O ATOM 899 CB ARG A 61 8.499 -4.998 -0.389 1.00 0.00 C ATOM 900 CG ARG A 61 9.483 -6.009 0.176 1.00 0.00 C ATOM 901 CD ARG A 61 10.464 -6.484 -0.884 1.00 0.00 C ATOM 902 NE ARG A 61 11.672 -5.665 -0.918 1.00 0.00 N ATOM 903 CZ ARG A 61 12.722 -5.871 -0.130 1.00 0.00 C ATOM 904 NH1 ARG A 61 12.711 -6.864 0.748 1.00 0.00 N ATOM 905 NH2 ARG A 61 13.785 -5.082 -0.221 1.00 0.00 N ATOM 0 H ARG A 61 5.753 -4.409 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 61 7.742 -5.973 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.036 -4.301 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.078 -4.416 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.030 -5.561 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.938 -6.863 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.735 -7.521 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.982 -6.459 -1.861 1.00 0.00 H new ATOM 0 HE ARG A 61 11.712 -4.893 -1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.895 -7.472 0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.518 -7.020 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.796 -4.317 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.591 -5.240 0.384 1.00 0.00 H new ATOM 919 N THR A 62 7.315 -8.021 -0.761 1.00 0.00 N ATOM 920 CA THR A 62 6.872 -9.251 -0.117 1.00 0.00 C ATOM 921 C THR A 62 6.844 -9.098 1.399 1.00 0.00 C ATOM 922 O THR A 62 7.779 -8.565 1.996 1.00 0.00 O ATOM 923 CB THR A 62 7.781 -10.438 -0.486 1.00 0.00 C ATOM 924 OG1 THR A 62 9.151 -10.021 -0.493 1.00 0.00 O ATOM 925 CG2 THR A 62 7.410 -11.001 -1.849 1.00 0.00 C ATOM 0 H THR A 62 8.036 -8.153 -1.470 1.00 0.00 H new ATOM 0 HA THR A 62 5.863 -9.451 -0.478 1.00 0.00 H new ATOM 0 HB THR A 62 7.643 -11.219 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.723 -10.781 -0.727 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.066 -11.838 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.375 -11.344 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.522 -10.225 -2.606 1.00 0.00 H new ATOM 933 N SER A 63 5.766 -9.570 2.018 1.00 0.00 N ATOM 934 CA SER A 63 5.616 -9.483 3.466 1.00 0.00 C ATOM 935 C SER A 63 6.197 -10.717 4.147 1.00 0.00 C ATOM 936 O SER A 63 5.758 -11.841 3.902 1.00 0.00 O ATOM 937 CB SER A 63 4.140 -9.328 3.838 1.00 0.00 C ATOM 938 OG SER A 63 3.753 -7.965 3.834 1.00 0.00 O ATOM 0 H SER A 63 4.984 -10.016 1.539 1.00 0.00 H new ATOM 0 HA SER A 63 6.165 -8.607 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.524 -9.886 3.133 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.964 -9.756 4.825 1.00 0.00 H new ATOM 0 HG SER A 63 2.805 -7.893 4.073 1.00 0.00 H new ATOM 1028 N TYR A 70 11.904 -4.028 -3.249 1.00 0.00 N ATOM 1029 CA TYR A 70 10.728 -3.166 -3.216 1.00 0.00 C ATOM 1030 C TYR A 70 10.430 -2.598 -4.600 1.00 0.00 C ATOM 1031 O TYR A 70 11.238 -1.866 -5.171 1.00 0.00 O ATOM 1032 CB TYR A 70 10.934 -2.026 -2.217 1.00 0.00 C ATOM 1033 CG TYR A 70 10.454 -2.350 -0.820 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.256 -3.061 0.063 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.199 -1.943 -0.384 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.822 -3.360 1.340 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.757 -2.236 0.891 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.571 -2.945 1.749 1.00 0.00 C ATOM 1039 OH TYR A 70 9.135 -3.240 3.021 1.00 0.00 O ATOM 0 HA TYR A 70 9.876 -3.768 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.994 -1.775 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.410 -1.140 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.236 -3.386 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.558 -1.388 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.458 -3.915 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.779 -1.912 1.214 1.00 0.00 H new ATOM 0 HH TYR A 70 8.234 -2.876 3.151 1.00 0.00 H new ATOM 1049 N LYS A 71 9.262 -2.940 -5.133 1.00 0.00 N ATOM 1050 CA LYS A 71 8.853 -2.464 -6.450 1.00 0.00 C ATOM 1051 C LYS A 71 8.346 -1.027 -6.375 1.00 0.00 C ATOM 1052 O LYS A 71 7.879 -0.577 -5.329 1.00 0.00 O ATOM 1053 CB LYS A 71 7.764 -3.371 -7.027 1.00 0.00 C ATOM 1054 CG LYS A 71 7.766 -3.434 -8.544 1.00 0.00 C ATOM 1055 CD LYS A 71 7.200 -4.750 -9.049 1.00 0.00 C ATOM 1056 CE LYS A 71 7.251 -4.834 -10.567 1.00 0.00 C ATOM 1057 NZ LYS A 71 6.669 -6.108 -11.072 1.00 0.00 N ATOM 0 H LYS A 71 8.582 -3.545 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 71 9.724 -2.490 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.893 -4.378 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.791 -3.017 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.179 -2.607 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.784 -3.310 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.763 -5.578 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.169 -4.857 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.708 -3.992 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.285 -4.750 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.723 -6.127 -12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.203 -6.912 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.675 -6.177 -10.775 1.00 0.00 H new ATOM 1071 N SER A 72 8.440 -0.313 -7.492 1.00 0.00 N ATOM 1072 CA SER A 72 7.993 1.074 -7.553 1.00 0.00 C ATOM 1073 C SER A 72 7.453 1.410 -8.939 1.00 0.00 C ATOM 1074 O SER A 72 8.083 1.108 -9.952 1.00 0.00 O ATOM 1075 CB SER A 72 9.143 2.018 -7.198 1.00 0.00 C ATOM 1076 OG SER A 72 10.258 1.805 -8.045 1.00 0.00 O ATOM 0 H SER A 72 8.822 -0.672 -8.367 1.00 0.00 H new ATOM 0 HA SER A 72 7.189 1.204 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.809 3.052 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.437 1.864 -6.160 1.00 0.00 H new ATOM 0 HG SER A 72 10.979 2.422 -7.799 1.00 0.00 H new ATOM 1082 N GLU A 73 6.282 2.039 -8.975 1.00 0.00 N ATOM 1083 CA GLU A 73 5.656 2.416 -10.237 1.00 0.00 C ATOM 1084 C GLU A 73 4.969 3.773 -10.119 1.00 0.00 C ATOM 1085 O GLU A 73 4.340 4.077 -9.105 1.00 0.00 O ATOM 1086 CB GLU A 73 4.642 1.354 -10.666 1.00 0.00 C ATOM 1087 CG GLU A 73 4.259 1.436 -12.134 1.00 0.00 C ATOM 1088 CD GLU A 73 5.420 1.847 -13.018 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.481 1.191 -12.948 1.00 0.00 O ATOM 1090 OE2 GLU A 73 5.269 2.825 -13.780 1.00 0.00 O ATOM 0 H GLU A 73 5.748 2.298 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 73 6.437 2.488 -10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.055 0.366 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.743 1.456 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.883 0.467 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.445 2.151 -12.254 1.00 0.00 H new ATOM 1097 N ASP A 74 5.094 4.586 -11.163 1.00 0.00 N ATOM 1098 CA ASP A 74 4.485 5.911 -11.178 1.00 0.00 C ATOM 1099 C ASP A 74 3.064 5.849 -11.729 1.00 0.00 C ATOM 1100 O ASP A 74 2.809 5.209 -12.749 1.00 0.00 O ATOM 1101 CB ASP A 74 5.329 6.873 -12.015 1.00 0.00 C ATOM 1102 CG ASP A 74 5.219 6.597 -13.501 1.00 0.00 C ATOM 1103 OD1 ASP A 74 4.161 6.911 -14.086 1.00 0.00 O ATOM 1104 OD2 ASP A 74 6.190 6.067 -14.080 1.00 0.00 O ATOM 0 H ASP A 74 5.612 4.350 -12.010 1.00 0.00 H new ATOM 0 HA ASP A 74 4.442 6.277 -10.152 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.014 7.897 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.373 6.795 -11.710 1.00 0.00 H new ATOM 1109 N THR A 75 2.141 6.520 -11.046 1.00 0.00 N ATOM 1110 CA THR A 75 0.745 6.540 -11.465 1.00 0.00 C ATOM 1111 C THR A 75 0.068 7.844 -11.059 1.00 0.00 C ATOM 1112 O THR A 75 0.132 8.254 -9.900 1.00 0.00 O ATOM 1113 CB THR A 75 -0.039 5.358 -10.865 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.394 5.383 -11.328 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.016 5.411 -9.344 1.00 0.00 C ATOM 0 H THR A 75 2.335 7.056 -10.201 1.00 0.00 H new ATOM 0 HA THR A 75 0.740 6.454 -12.552 1.00 0.00 H new ATOM 0 HB THR A 75 0.437 4.432 -11.188 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.885 4.627 -10.943 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.576 4.567 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.015 5.362 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.471 6.342 -9.005 1.00 0.00 H new ATOM 1123 N THR A 76 -0.582 8.493 -12.020 1.00 0.00 N ATOM 1124 CA THR A 76 -1.271 9.751 -11.762 1.00 0.00 C ATOM 1125 C THR A 76 -2.741 9.515 -11.431 1.00 0.00 C ATOM 1126 O THR A 76 -3.606 10.303 -11.811 1.00 0.00 O ATOM 1127 CB THR A 76 -1.175 10.702 -12.970 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.430 9.982 -14.182 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.199 11.351 -13.040 1.00 0.00 C ATOM 0 H THR A 76 -0.646 8.168 -12.985 1.00 0.00 H new ATOM 0 HA THR A 76 -0.778 10.212 -10.906 1.00 0.00 H new ATOM 0 HB THR A 76 -1.924 11.485 -12.848 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.369 10.594 -14.945 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.243 12.018 -13.901 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.379 11.922 -12.129 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.962 10.579 -13.140 1.00 0.00 H new ATOM 1137 N SER A 77 -3.015 8.425 -10.721 1.00 0.00 N ATOM 1138 CA SER A 77 -4.381 8.084 -10.341 1.00 0.00 C ATOM 1139 C SER A 77 -4.429 7.542 -8.916 1.00 0.00 C ATOM 1140 O SER A 77 -3.395 7.250 -8.315 1.00 0.00 O ATOM 1141 CB SER A 77 -4.960 7.053 -11.311 1.00 0.00 C ATOM 1142 OG SER A 77 -4.891 7.515 -12.649 1.00 0.00 O ATOM 0 H SER A 77 -2.309 7.763 -10.397 1.00 0.00 H new ATOM 0 HA SER A 77 -4.982 8.992 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.413 6.115 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.997 6.844 -11.048 1.00 0.00 H new ATOM 0 HG SER A 77 -5.266 6.837 -13.249 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.638 7.411 -8.381 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.823 6.904 -7.025 1.00 0.00 C ATOM 1150 C LEU A 78 -6.083 5.401 -7.037 1.00 0.00 C ATOM 1151 O LEU A 78 -6.694 4.859 -6.116 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.985 7.629 -6.343 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.866 9.150 -6.251 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.223 9.776 -5.972 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.864 9.542 -5.174 1.00 0.00 C ATOM 0 H LEU A 78 -6.504 7.648 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.907 7.091 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.902 7.388 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.093 7.231 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.506 9.526 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.118 10.859 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.913 9.524 -6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.613 9.395 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.792 10.628 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.195 9.154 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.887 9.125 -5.417 1.00 0.00 H new ATOM 1167 N SER A 79 -5.613 4.733 -8.085 1.00 0.00 N ATOM 1168 CA SER A 79 -5.796 3.292 -8.218 1.00 0.00 C ATOM 1169 C SER A 79 -4.749 2.696 -9.154 1.00 0.00 C ATOM 1170 O SER A 79 -4.526 3.200 -10.255 1.00 0.00 O ATOM 1171 CB SER A 79 -7.200 2.981 -8.740 1.00 0.00 C ATOM 1172 OG SER A 79 -7.291 3.220 -10.133 1.00 0.00 O ATOM 0 H SER A 79 -5.103 5.166 -8.855 1.00 0.00 H new ATOM 0 HA SER A 79 -5.675 2.842 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.447 1.940 -8.530 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.931 3.595 -8.214 1.00 0.00 H new ATOM 0 HG SER A 79 -8.197 3.012 -10.442 1.00 0.00 H new ATOM 1178 N TYR A 80 -4.111 1.619 -8.708 1.00 0.00 N ATOM 1179 CA TYR A 80 -3.086 0.954 -9.504 1.00 0.00 C ATOM 1180 C TYR A 80 -3.321 -0.553 -9.545 1.00 0.00 C ATOM 1181 O TYR A 80 -3.879 -1.132 -8.613 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.697 1.250 -8.935 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.587 0.487 -9.621 1.00 0.00 C ATOM 1184 CD1 TYR A 80 -0.033 0.947 -10.810 1.00 0.00 C ATOM 1185 CD2 TYR A 80 -0.092 -0.693 -9.082 1.00 0.00 C ATOM 1186 CE1 TYR A 80 0.981 0.253 -11.441 1.00 0.00 C ATOM 1187 CE2 TYR A 80 0.923 -1.393 -9.705 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.456 -0.916 -10.885 1.00 0.00 C ATOM 1189 OH TYR A 80 2.467 -1.611 -11.509 1.00 0.00 O ATOM 0 H TYR A 80 -4.286 1.188 -7.800 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.144 1.340 -10.522 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.499 2.318 -9.020 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.690 1.008 -7.872 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.402 1.863 -11.248 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.508 -1.070 -8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.400 0.624 -12.365 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.297 -2.308 -9.271 1.00 0.00 H new ATOM 0 HH TYR A 80 2.890 -2.219 -10.868 1.00 0.00 H new ATOM 1199 N THR A 81 -2.889 -1.183 -10.634 1.00 0.00 N ATOM 1200 CA THR A 81 -3.051 -2.621 -10.799 1.00 0.00 C ATOM 1201 C THR A 81 -1.703 -3.332 -10.785 1.00 0.00 C ATOM 1202 O THR A 81 -0.970 -3.311 -11.773 1.00 0.00 O ATOM 1203 CB THR A 81 -3.783 -2.957 -12.112 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.878 -2.056 -12.307 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.295 -4.390 -12.095 1.00 0.00 C ATOM 0 H THR A 81 -2.424 -0.719 -11.414 1.00 0.00 H new ATOM 0 HA THR A 81 -3.651 -2.970 -9.958 1.00 0.00 H new ATOM 0 HB THR A 81 -3.075 -2.851 -12.934 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.337 -2.275 -13.145 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.808 -4.604 -13.032 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.455 -5.075 -11.976 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.989 -4.519 -11.264 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.382 -3.961 -9.659 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.122 -4.681 -9.519 1.00 0.00 C ATOM 1215 C ALA A 82 -0.171 -6.021 -10.245 1.00 0.00 C ATOM 1216 O ALA A 82 -0.707 -7.001 -9.727 1.00 0.00 O ATOM 1217 CB ALA A 82 0.207 -4.888 -8.048 1.00 0.00 C ATOM 0 H ALA A 82 -1.977 -3.987 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 82 0.664 -4.079 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.150 -5.427 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.294 -3.920 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.587 -5.466 -7.575 1.00 0.00 H new ATOM 1223 N THR A 83 0.391 -6.057 -11.449 1.00 0.00 N ATOM 1224 CA THR A 83 0.410 -7.276 -12.248 1.00 0.00 C ATOM 1225 C THR A 83 1.775 -7.951 -12.190 1.00 0.00 C ATOM 1226 O THR A 83 2.792 -7.298 -11.956 1.00 0.00 O ATOM 1227 CB THR A 83 0.053 -6.990 -13.719 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.097 -6.229 -14.337 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.261 -6.231 -13.819 1.00 0.00 C ATOM 0 H THR A 83 0.839 -5.255 -11.892 1.00 0.00 H new ATOM 0 HA THR A 83 -0.340 -7.943 -11.823 1.00 0.00 H new ATOM 0 HB THR A 83 -0.056 -7.944 -14.236 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.864 -6.053 -15.272 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.492 -6.040 -14.867 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.059 -6.825 -13.373 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.175 -5.283 -13.288 1.00 0.00 H new ATOM 1237 N GLY A 84 1.792 -9.263 -12.405 1.00 0.00 N ATOM 1238 CA GLY A 84 3.039 -10.004 -12.374 1.00 0.00 C ATOM 1239 C GLY A 84 3.544 -10.230 -10.962 1.00 0.00 C ATOM 1240 O GLY A 84 4.715 -9.991 -10.667 1.00 0.00 O ATOM 0 H GLY A 84 0.964 -9.826 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.898 -10.967 -12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.794 -9.463 -12.944 1.00 0.00 H new ATOM 1244 N LEU A 85 2.658 -10.691 -10.086 1.00 0.00 N ATOM 1245 CA LEU A 85 3.019 -10.949 -8.696 1.00 0.00 C ATOM 1246 C LEU A 85 3.062 -12.447 -8.413 1.00 0.00 C ATOM 1247 O LEU A 85 2.903 -13.266 -9.319 1.00 0.00 O ATOM 1248 CB LEU A 85 2.022 -10.269 -7.756 1.00 0.00 C ATOM 1249 CG LEU A 85 1.441 -8.940 -8.241 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.090 -8.681 -7.593 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.403 -7.798 -7.947 1.00 0.00 C ATOM 0 H LEU A 85 1.685 -10.894 -10.313 1.00 0.00 H new ATOM 0 HA LEU A 85 4.013 -10.537 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.197 -10.958 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.514 -10.100 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 85 1.299 -9.000 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.308 -7.731 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.599 -9.484 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.207 -8.641 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.973 -6.860 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.577 -7.737 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.349 -7.978 -8.458 1.00 0.00 H new ATOM 1263 N LYS A 86 3.274 -12.799 -7.150 1.00 0.00 N ATOM 1264 CA LYS A 86 3.334 -14.199 -6.745 1.00 0.00 C ATOM 1265 C LYS A 86 1.993 -14.661 -6.185 1.00 0.00 C ATOM 1266 O LYS A 86 1.366 -13.983 -5.371 1.00 0.00 O ATOM 1267 CB LYS A 86 4.433 -14.402 -5.699 1.00 0.00 C ATOM 1268 CG LYS A 86 4.918 -15.838 -5.597 1.00 0.00 C ATOM 1269 CD LYS A 86 6.248 -15.927 -4.868 1.00 0.00 C ATOM 1270 CE LYS A 86 6.052 -16.040 -3.364 1.00 0.00 C ATOM 1271 NZ LYS A 86 5.678 -17.423 -2.956 1.00 0.00 N ATOM 0 H LYS A 86 3.407 -12.134 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 86 3.565 -14.797 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.278 -13.758 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.060 -14.083 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.174 -16.438 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.021 -16.260 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.805 -16.791 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.847 -15.045 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.970 -15.747 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.275 -15.345 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.223 -17.695 -2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.662 -17.458 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.888 -18.083 -3.732 1.00 0.00 H new ATOM 1285 N PRO A 87 1.542 -15.844 -6.628 1.00 0.00 N ATOM 1286 CA PRO A 87 0.271 -16.424 -6.182 1.00 0.00 C ATOM 1287 C PRO A 87 0.320 -16.877 -4.727 1.00 0.00 C ATOM 1288 O PRO A 87 1.392 -17.151 -4.188 1.00 0.00 O ATOM 1289 CB PRO A 87 0.085 -17.626 -7.111 1.00 0.00 C ATOM 1290 CG PRO A 87 1.465 -17.995 -7.534 1.00 0.00 C ATOM 1291 CD PRO A 87 2.237 -16.706 -7.598 1.00 0.00 C ATOM 0 HA PRO A 87 -0.545 -15.703 -6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.405 -18.452 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.537 -17.371 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.919 -18.687 -6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.456 -18.493 -8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.283 -16.851 -7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.221 -16.277 -8.600 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.847 -16.955 -4.097 1.00 0.00 N ATOM 1300 CA ASN A 88 -0.937 -17.375 -2.703 1.00 0.00 C ATOM 1301 C ASN A 88 0.125 -16.680 -1.856 1.00 0.00 C ATOM 1302 O ASN A 88 0.699 -17.279 -0.946 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.778 -18.893 -2.595 1.00 0.00 C ATOM 1304 CG ASN A 88 0.619 -19.356 -2.960 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.777 -19.856 -4.180 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.545 -19.264 -2.154 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.744 -16.733 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.920 -17.091 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.008 -19.208 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.501 -19.379 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.377 -18.873 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.480 -19.579 -2.413 1.00 0.00 H new ATOM 1313 N THR A 89 0.380 -15.412 -2.160 1.00 0.00 N ATOM 1314 CA THR A 89 1.372 -14.635 -1.428 1.00 0.00 C ATOM 1315 C THR A 89 0.923 -13.188 -1.260 1.00 0.00 C ATOM 1316 O THR A 89 0.596 -12.513 -2.236 1.00 0.00 O ATOM 1317 CB THR A 89 2.739 -14.657 -2.138 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.954 -15.935 -2.746 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.863 -14.360 -1.158 1.00 0.00 C ATOM 0 H THR A 89 -0.087 -14.901 -2.909 1.00 0.00 H new ATOM 0 HA THR A 89 1.473 -15.097 -0.446 1.00 0.00 H new ATOM 0 HB THR A 89 2.737 -13.885 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.408 -16.008 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.818 -14.381 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.712 -13.374 -0.719 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.866 -15.112 -0.369 1.00 0.00 H new ATOM 1327 N MET A 90 0.910 -12.717 -0.017 1.00 0.00 N ATOM 1328 CA MET A 90 0.502 -11.348 0.277 1.00 0.00 C ATOM 1329 C MET A 90 1.718 -10.461 0.526 1.00 0.00 C ATOM 1330 O MET A 90 2.768 -10.936 0.958 1.00 0.00 O ATOM 1331 CB MET A 90 -0.422 -11.320 1.495 1.00 0.00 C ATOM 1332 CG MET A 90 -0.950 -9.933 1.826 1.00 0.00 C ATOM 1333 SD MET A 90 0.104 -9.049 2.992 1.00 0.00 S ATOM 1334 CE MET A 90 0.102 -10.183 4.378 1.00 0.00 C ATOM 0 H MET A 90 1.177 -13.263 0.802 1.00 0.00 H new ATOM 0 HA MET A 90 -0.037 -10.961 -0.588 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.265 -11.988 1.317 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.117 -11.710 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.036 -9.352 0.908 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.953 -10.020 2.243 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.165 -9.620 5.309 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.818 -10.767 4.369 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.958 -10.853 4.301 1.00 0.00 H new ATOM 1344 N TYR A 91 1.568 -9.170 0.249 1.00 0.00 N ATOM 1345 CA TYR A 91 2.655 -8.217 0.441 1.00 0.00 C ATOM 1346 C TYR A 91 2.139 -6.919 1.055 1.00 0.00 C ATOM 1347 O TYR A 91 0.947 -6.779 1.324 1.00 0.00 O ATOM 1348 CB TYR A 91 3.345 -7.924 -0.893 1.00 0.00 C ATOM 1349 CG TYR A 91 3.189 -9.031 -1.911 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.684 -10.305 -1.662 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.548 -8.802 -3.122 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.545 -11.319 -2.590 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.403 -9.811 -4.055 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.903 -11.067 -3.784 1.00 0.00 C ATOM 1355 OH TYR A 91 2.761 -12.074 -4.712 1.00 0.00 O ATOM 0 H TYR A 91 0.705 -8.760 -0.109 1.00 0.00 H new ATOM 0 HA TYR A 91 3.377 -8.660 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.939 -7.001 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.407 -7.754 -0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.186 -10.506 -0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.156 -7.819 -3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.937 -12.304 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.901 -9.617 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 91 1.976 -12.616 -4.489 1.00 0.00 H new ATOM 1365 N GLU A 92 3.048 -5.973 1.273 1.00 0.00 N ATOM 1366 CA GLU A 92 2.685 -4.686 1.855 1.00 0.00 C ATOM 1367 C GLU A 92 2.575 -3.612 0.776 1.00 0.00 C ATOM 1368 O GLU A 92 3.506 -3.400 -0.001 1.00 0.00 O ATOM 1369 CB GLU A 92 3.717 -4.267 2.904 1.00 0.00 C ATOM 1370 CG GLU A 92 3.986 -2.772 2.930 1.00 0.00 C ATOM 1371 CD GLU A 92 5.145 -2.372 2.038 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.646 -3.240 1.292 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.551 -1.193 2.084 1.00 0.00 O ATOM 0 H GLU A 92 4.039 -6.074 1.056 1.00 0.00 H new ATOM 0 HA GLU A 92 1.713 -4.795 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.371 -4.582 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.652 -4.793 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.089 -2.240 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.197 -2.462 3.954 1.00 0.00 H new ATOM 1380 N PHE A 93 1.430 -2.938 0.736 1.00 0.00 N ATOM 1381 CA PHE A 93 1.197 -1.887 -0.248 1.00 0.00 C ATOM 1382 C PHE A 93 1.045 -0.530 0.432 1.00 0.00 C ATOM 1383 O PHE A 93 0.597 -0.443 1.575 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.053 -2.200 -1.073 1.00 0.00 C ATOM 1385 CG PHE A 93 0.081 -3.432 -1.922 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.021 -4.693 -1.357 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.308 -3.328 -3.285 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.103 -5.828 -2.136 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.432 -4.460 -4.069 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.329 -5.711 -3.494 1.00 0.00 C ATOM 0 H PHE A 93 0.650 -3.101 1.373 1.00 0.00 H new ATOM 0 HA PHE A 93 2.061 -1.846 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.901 -2.323 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.277 -1.348 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.199 -4.790 -0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.389 -2.352 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.023 -6.805 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.609 -4.366 -5.130 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.425 -6.597 -4.105 1.00 0.00 H new ATOM 1400 N SER A 94 1.423 0.527 -0.280 1.00 0.00 N ATOM 1401 CA SER A 94 1.333 1.881 0.256 1.00 0.00 C ATOM 1402 C SER A 94 1.185 2.901 -0.869 1.00 0.00 C ATOM 1403 O SER A 94 1.127 2.542 -2.045 1.00 0.00 O ATOM 1404 CB SER A 94 2.573 2.204 1.093 1.00 0.00 C ATOM 1405 OG SER A 94 2.273 3.148 2.106 1.00 0.00 O ATOM 0 H SER A 94 1.794 0.472 -1.228 1.00 0.00 H new ATOM 0 HA SER A 94 0.450 1.936 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.958 1.290 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.359 2.596 0.448 1.00 0.00 H new ATOM 0 HG SER A 94 1.871 2.688 2.873 1.00 0.00 H new ATOM 1411 N VAL A 95 1.124 4.176 -0.498 1.00 0.00 N ATOM 1412 CA VAL A 95 0.983 5.250 -1.474 1.00 0.00 C ATOM 1413 C VAL A 95 1.592 6.548 -0.955 1.00 0.00 C ATOM 1414 O VAL A 95 1.540 6.834 0.241 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.495 5.495 -1.829 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.621 6.622 -2.844 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.135 4.220 -2.355 1.00 0.00 C ATOM 0 H VAL A 95 1.170 4.490 0.471 1.00 0.00 H new ATOM 0 HA VAL A 95 1.517 4.935 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.023 5.793 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.673 6.781 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.202 7.537 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.079 6.356 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.179 4.412 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.606 3.890 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.078 3.443 -1.592 1.00 0.00 H new ATOM 1427 N MET A 96 2.168 7.330 -1.862 1.00 0.00 N ATOM 1428 CA MET A 96 2.785 8.599 -1.495 1.00 0.00 C ATOM 1429 C MET A 96 2.688 9.601 -2.641 1.00 0.00 C ATOM 1430 O MET A 96 2.083 9.320 -3.675 1.00 0.00 O ATOM 1431 CB MET A 96 4.251 8.385 -1.112 1.00 0.00 C ATOM 1432 CG MET A 96 5.112 7.879 -2.258 1.00 0.00 C ATOM 1433 SD MET A 96 5.680 9.207 -3.338 1.00 0.00 S ATOM 1434 CE MET A 96 6.887 10.008 -2.284 1.00 0.00 C ATOM 0 H MET A 96 2.220 7.107 -2.856 1.00 0.00 H new ATOM 0 HA MET A 96 2.248 9.002 -0.637 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.663 9.326 -0.747 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.302 7.673 -0.288 1.00 0.00 H new ATOM 0 HG2 MET A 96 5.975 7.351 -1.853 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.543 7.157 -2.844 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.303 10.874 -2.799 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.406 10.332 -1.361 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.688 9.307 -2.049 1.00 0.00 H new ATOM 1444 N VAL A 97 3.288 10.772 -2.449 1.00 0.00 N ATOM 1445 CA VAL A 97 3.270 11.816 -3.466 1.00 0.00 C ATOM 1446 C VAL A 97 4.578 12.599 -3.475 1.00 0.00 C ATOM 1447 O VAL A 97 5.183 12.831 -2.427 1.00 0.00 O ATOM 1448 CB VAL A 97 2.101 12.795 -3.246 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.033 13.227 -1.789 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.236 14.001 -4.162 1.00 0.00 C ATOM 0 H VAL A 97 3.792 11.021 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 97 3.142 11.318 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 97 1.171 12.283 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.201 13.918 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.885 12.352 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.964 13.721 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.402 14.682 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.173 14.516 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.230 13.671 -5.201 1.00 0.00 H new ATOM 1460 N THR A 98 5.011 13.004 -4.664 1.00 0.00 N ATOM 1461 CA THR A 98 6.249 13.761 -4.810 1.00 0.00 C ATOM 1462 C THR A 98 5.976 15.165 -5.335 1.00 0.00 C ATOM 1463 O THR A 98 5.817 15.370 -6.539 1.00 0.00 O ATOM 1464 CB THR A 98 7.232 13.051 -5.760 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.527 11.739 -5.270 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.520 13.848 -5.898 1.00 0.00 C ATOM 0 H THR A 98 4.523 12.821 -5.541 1.00 0.00 H new ATOM 0 HA THR A 98 6.698 13.828 -3.819 1.00 0.00 H new ATOM 0 HB THR A 98 6.763 12.974 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.151 11.294 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.199 13.328 -6.573 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.295 14.836 -6.300 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.990 13.952 -4.920 1.00 0.00 H new ATOM 1474 N LYS A 99 5.923 16.132 -4.426 1.00 0.00 N ATOM 1475 CA LYS A 99 5.672 17.520 -4.797 1.00 0.00 C ATOM 1476 C LYS A 99 6.792 18.428 -4.300 1.00 0.00 C ATOM 1477 O LYS A 99 7.468 18.116 -3.321 1.00 0.00 O ATOM 1478 CB LYS A 99 4.331 17.987 -4.225 1.00 0.00 C ATOM 1479 CG LYS A 99 3.794 19.245 -4.885 1.00 0.00 C ATOM 1480 CD LYS A 99 2.850 19.999 -3.964 1.00 0.00 C ATOM 1481 CE LYS A 99 1.432 19.454 -4.052 1.00 0.00 C ATOM 1482 NZ LYS A 99 1.194 18.365 -3.065 1.00 0.00 N ATOM 0 H LYS A 99 6.051 15.980 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 99 5.637 17.578 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.599 17.187 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.444 18.168 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.625 19.893 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.272 18.980 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.206 19.925 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.851 21.057 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.721 20.262 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.249 19.078 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.243 18.468 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.270 17.443 -3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.903 18.423 -2.307 1.00 0.00 H new ATOM 1496 N ASN A 100 6.982 19.553 -4.981 1.00 0.00 N ATOM 1497 CA ASN A 100 8.021 20.506 -4.608 1.00 0.00 C ATOM 1498 C ASN A 100 9.407 19.885 -4.750 1.00 0.00 C ATOM 1499 O ASN A 100 10.282 20.095 -3.910 1.00 0.00 O ATOM 1500 CB ASN A 100 7.809 20.986 -3.171 1.00 0.00 C ATOM 1501 CG ASN A 100 6.851 22.158 -3.087 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.623 22.859 -4.073 1.00 0.00 O ATOM 1503 ND2 ASN A 100 6.284 22.376 -1.906 1.00 0.00 N ATOM 0 H ASN A 100 6.430 19.827 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 100 7.955 21.359 -5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.425 20.163 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.769 21.274 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.630 23.150 -1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.502 21.769 -1.116 1.00 0.00 H new ATOM 1510 N ARG A 101 9.599 19.119 -5.819 1.00 0.00 N ATOM 1511 CA ARG A 101 10.878 18.466 -6.071 1.00 0.00 C ATOM 1512 C ARG A 101 11.305 17.626 -4.871 1.00 0.00 C ATOM 1513 O ARG A 101 12.497 17.428 -4.632 1.00 0.00 O ATOM 1514 CB ARG A 101 11.953 19.508 -6.386 1.00 0.00 C ATOM 1515 CG ARG A 101 11.627 20.374 -7.591 1.00 0.00 C ATOM 1516 CD ARG A 101 10.835 21.609 -7.192 1.00 0.00 C ATOM 1517 NE ARG A 101 10.273 22.297 -8.351 1.00 0.00 N ATOM 1518 CZ ARG A 101 9.854 23.558 -8.326 1.00 0.00 C ATOM 1519 NH1 ARG A 101 9.934 24.264 -7.206 1.00 0.00 N ATOM 1520 NH2 ARG A 101 9.355 24.114 -9.422 1.00 0.00 N ATOM 0 H ARG A 101 8.885 18.935 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 101 10.758 17.806 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 101 12.092 20.149 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.901 18.999 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 101 12.551 20.677 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.056 19.792 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.030 21.321 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.482 22.293 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 101 10.198 21.781 -9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.318 23.839 -6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.612 25.232 -7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.293 23.574 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 101 9.034 25.082 -9.402 1.00 0.00 H new ATOM 1534 N ARG A 102 10.325 17.134 -4.121 1.00 0.00 N ATOM 1535 CA ARG A 102 10.599 16.316 -2.945 1.00 0.00 C ATOM 1536 C ARG A 102 9.544 15.225 -2.784 1.00 0.00 C ATOM 1537 O ARG A 102 8.372 15.429 -3.101 1.00 0.00 O ATOM 1538 CB ARG A 102 10.642 17.189 -1.690 1.00 0.00 C ATOM 1539 CG ARG A 102 9.273 17.654 -1.223 1.00 0.00 C ATOM 1540 CD ARG A 102 9.280 18.017 0.253 1.00 0.00 C ATOM 1541 NE ARG A 102 9.598 19.426 0.469 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.836 19.907 0.475 1.00 0.00 C ATOM 1543 NH1 ARG A 102 11.867 19.097 0.279 1.00 0.00 N ATOM 1544 NH2 ARG A 102 11.045 21.202 0.678 1.00 0.00 N ATOM 0 H ARG A 102 9.334 17.287 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 102 11.570 15.840 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.120 16.630 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.265 18.062 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.962 18.518 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.540 16.867 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.304 17.795 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.008 17.397 0.775 1.00 0.00 H new ATOM 0 HE ARG A 102 8.827 20.076 0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.711 18.101 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.816 19.470 0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.255 21.829 0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.996 21.571 0.682 1.00 0.00 H new ATOM 1558 N SER A 103 9.969 14.067 -2.289 1.00 0.00 N ATOM 1559 CA SER A 103 9.062 12.943 -2.089 1.00 0.00 C ATOM 1560 C SER A 103 8.520 12.929 -0.663 1.00 0.00 C ATOM 1561 O SER A 103 9.259 13.150 0.296 1.00 0.00 O ATOM 1562 CB SER A 103 9.778 11.624 -2.387 1.00 0.00 C ATOM 1563 OG SER A 103 11.022 11.555 -1.712 1.00 0.00 O ATOM 0 H SER A 103 10.935 13.883 -2.019 1.00 0.00 H new ATOM 0 HA SER A 103 8.224 13.057 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.148 10.788 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.938 11.528 -3.461 1.00 0.00 H new ATOM 0 HG SER A 103 11.459 10.702 -1.917 1.00 0.00 H new ATOM 1569 N SER A 104 7.223 12.668 -0.532 1.00 0.00 N ATOM 1570 CA SER A 104 6.579 12.629 0.776 1.00 0.00 C ATOM 1571 C SER A 104 6.675 11.234 1.387 1.00 0.00 C ATOM 1572 O SER A 104 7.228 10.314 0.782 1.00 0.00 O ATOM 1573 CB SER A 104 5.113 13.047 0.658 1.00 0.00 C ATOM 1574 OG SER A 104 4.387 12.693 1.823 1.00 0.00 O ATOM 0 H SER A 104 6.598 12.480 -1.316 1.00 0.00 H new ATOM 0 HA SER A 104 7.097 13.330 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.050 14.124 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.664 12.570 -0.213 1.00 0.00 H new ATOM 0 HG SER A 104 3.453 12.972 1.724 1.00 0.00 H new ATOM 1580 N THR A 105 6.132 11.084 2.591 1.00 0.00 N ATOM 1581 CA THR A 105 6.157 9.803 3.286 1.00 0.00 C ATOM 1582 C THR A 105 5.074 8.870 2.757 1.00 0.00 C ATOM 1583 O THR A 105 4.232 9.273 1.954 1.00 0.00 O ATOM 1584 CB THR A 105 5.966 9.984 4.804 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.264 8.760 5.484 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.542 10.414 5.123 1.00 0.00 C ATOM 0 H THR A 105 5.670 11.834 3.105 1.00 0.00 H new ATOM 0 HA THR A 105 7.136 9.361 3.100 1.00 0.00 H new ATOM 0 HB THR A 105 6.648 10.763 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.142 8.884 6.448 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.431 10.535 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.328 11.361 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.845 9.654 4.770 1.00 0.00 H new ATOM 1594 N TRP A 106 5.101 7.623 3.213 1.00 0.00 N ATOM 1595 CA TRP A 106 4.119 6.632 2.785 1.00 0.00 C ATOM 1596 C TRP A 106 2.968 6.541 3.781 1.00 0.00 C ATOM 1597 O TRP A 106 3.166 6.688 4.987 1.00 0.00 O ATOM 1598 CB TRP A 106 4.782 5.263 2.626 1.00 0.00 C ATOM 1599 CG TRP A 106 5.928 5.266 1.659 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.234 5.550 1.937 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.868 4.973 0.259 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.990 5.452 0.794 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.176 5.098 -0.249 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.838 4.615 -0.614 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.477 4.879 -1.590 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.138 4.399 -1.946 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.449 4.530 -2.423 1.00 0.00 C ATOM 0 H TRP A 106 5.791 7.274 3.878 1.00 0.00 H new ATOM 0 HA TRP A 106 3.717 6.947 1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.138 4.925 3.599 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.036 4.543 2.291 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.617 5.813 2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.995 5.616 0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.825 4.509 -0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.486 4.981 -1.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.349 4.125 -2.630 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.652 4.352 -3.469 1.00 0.00 H new ATOM 1618 N SER A 107 1.766 6.297 3.268 1.00 0.00 N ATOM 1619 CA SER A 107 0.582 6.190 4.113 1.00 0.00 C ATOM 1620 C SER A 107 0.487 4.803 4.741 1.00 0.00 C ATOM 1621 O SER A 107 1.373 3.967 4.563 1.00 0.00 O ATOM 1622 CB SER A 107 -0.679 6.481 3.299 1.00 0.00 C ATOM 1623 OG SER A 107 -0.863 5.514 2.280 1.00 0.00 O ATOM 0 H SER A 107 1.586 6.170 2.272 1.00 0.00 H new ATOM 0 HA SER A 107 0.668 6.927 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.547 6.489 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.607 7.473 2.854 1.00 0.00 H new ATOM 0 HG SER A 107 -0.285 5.728 1.518 1.00 0.00 H new ATOM 1629 N MET A 108 -0.594 4.566 5.477 1.00 0.00 N ATOM 1630 CA MET A 108 -0.806 3.280 6.131 1.00 0.00 C ATOM 1631 C MET A 108 -0.644 2.133 5.140 1.00 0.00 C ATOM 1632 O MET A 108 -0.997 2.257 3.967 1.00 0.00 O ATOM 1633 CB MET A 108 -2.198 3.230 6.765 1.00 0.00 C ATOM 1634 CG MET A 108 -3.309 3.667 5.825 1.00 0.00 C ATOM 1635 SD MET A 108 -4.949 3.238 6.440 1.00 0.00 S ATOM 1636 CE MET A 108 -5.099 1.551 5.858 1.00 0.00 C ATOM 0 H MET A 108 -1.336 5.247 5.635 1.00 0.00 H new ATOM 0 HA MET A 108 -0.054 3.169 6.913 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.398 2.213 7.103 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.209 3.868 7.649 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.251 4.745 5.677 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.158 3.203 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.065 1.146 6.161 1.00 0.00 H new ATOM 0 HE2 MET A 108 -5.023 1.533 4.771 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.301 0.946 6.287 1.00 0.00 H new ATOM 1646 N THR A 109 -0.107 1.014 5.618 1.00 0.00 N ATOM 1647 CA THR A 109 0.104 -0.155 4.774 1.00 0.00 C ATOM 1648 C THR A 109 -1.174 -0.975 4.642 1.00 0.00 C ATOM 1649 O THR A 109 -1.890 -1.188 5.621 1.00 0.00 O ATOM 1650 CB THR A 109 1.223 -1.055 5.329 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.489 -0.396 5.205 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.264 -2.385 4.592 1.00 0.00 C ATOM 0 H THR A 109 0.190 0.893 6.586 1.00 0.00 H new ATOM 0 HA THR A 109 0.399 0.214 3.792 1.00 0.00 H new ATOM 0 HB THR A 109 1.015 -1.247 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.195 -0.974 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.062 -3.004 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.310 -2.897 4.713 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.449 -2.208 3.533 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.455 -1.434 3.427 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.646 -2.234 3.169 1.00 0.00 C ATOM 1662 C ALA A 110 -2.277 -3.674 2.830 1.00 0.00 C ATOM 1663 O ALA A 110 -1.525 -3.928 1.888 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.462 -1.617 2.043 1.00 0.00 C ATOM 0 H ALA A 110 -0.874 -1.266 2.606 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.250 -2.245 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.348 -2.225 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.765 -0.608 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.858 -1.575 1.137 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.810 -4.614 3.604 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.536 -6.030 3.385 1.00 0.00 C ATOM 1672 C HIS A 111 -3.588 -6.652 2.472 1.00 0.00 C ATOM 1673 O HIS A 111 -4.773 -6.332 2.565 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.498 -6.776 4.720 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.192 -6.644 5.442 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.015 -6.493 4.793 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.909 -6.640 6.765 1.00 0.00 C ATOM 1678 CE1 HIS A 111 0.984 -6.403 5.686 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.450 -6.489 6.891 1.00 0.00 N ATOM 0 H HIS A 111 -3.434 -4.421 4.388 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.563 -6.116 2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.297 -6.401 5.359 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.701 -7.832 4.543 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.620 -6.737 7.572 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.035 -6.280 5.468 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.963 -6.450 7.772 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.146 -7.542 1.589 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.050 -8.209 0.659 1.00 0.00 C ATOM 1690 C ALA A 112 -3.369 -9.399 -0.009 1.00 0.00 C ATOM 1691 O ALA A 112 -2.417 -9.235 -0.772 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.548 -7.226 -0.390 1.00 0.00 C ATOM 0 H ALA A 112 -2.168 -7.818 1.498 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.904 -8.582 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.222 -7.738 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.080 -6.410 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.700 -6.825 -0.945 1.00 0.00 H new ATOM 1698 N THR A 113 -3.863 -10.598 0.284 1.00 0.00 N ATOM 1699 CA THR A 113 -3.301 -11.816 -0.287 1.00 0.00 C ATOM 1700 C THR A 113 -3.918 -12.121 -1.647 1.00 0.00 C ATOM 1701 O THR A 113 -5.081 -11.806 -1.898 1.00 0.00 O ATOM 1702 CB THR A 113 -3.517 -13.024 0.644 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.291 -12.640 2.005 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.583 -14.167 0.273 1.00 0.00 C ATOM 0 H THR A 113 -4.651 -10.752 0.913 1.00 0.00 H new ATOM 0 HA THR A 113 -2.231 -11.645 -0.406 1.00 0.00 H new ATOM 0 HB THR A 113 -4.546 -13.364 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.432 -13.413 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.754 -15.009 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.777 -14.477 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.549 -13.835 0.363 1.00 0.00 H new ATOM 1712 N THR A 114 -3.131 -12.737 -2.524 1.00 0.00 N ATOM 1713 CA THR A 114 -3.599 -13.084 -3.860 1.00 0.00 C ATOM 1714 C THR A 114 -4.278 -14.449 -3.866 1.00 0.00 C ATOM 1715 O THR A 114 -4.138 -15.228 -2.924 1.00 0.00 O ATOM 1716 CB THR A 114 -2.442 -13.094 -4.876 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.337 -13.840 -4.353 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.995 -11.677 -5.201 1.00 0.00 C ATOM 0 H THR A 114 -2.166 -13.006 -2.333 1.00 0.00 H new ATOM 0 HA THR A 114 -4.320 -12.320 -4.151 1.00 0.00 H new ATOM 0 HB THR A 114 -2.797 -13.565 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.551 -13.704 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.177 -11.710 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.830 -11.120 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.657 -11.184 -4.289 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.015 -14.732 -4.935 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.718 -16.003 -5.064 1.00 0.00 C ATOM 1728 C TYR A 115 -4.740 -17.141 -5.341 1.00 0.00 C ATOM 1729 O TYR A 115 -3.697 -16.940 -5.963 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.757 -15.925 -6.183 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.875 -14.946 -5.904 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.968 -15.312 -5.129 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.837 -13.654 -6.416 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.992 -14.421 -4.873 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.856 -12.756 -6.163 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.931 -13.144 -5.391 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.949 -12.253 -5.137 1.00 0.00 O ATOM 0 H TYR A 115 -5.141 -14.098 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.225 -16.205 -4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.259 -15.641 -7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.184 -16.916 -6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.018 -16.310 -4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.997 -13.347 -7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.836 -14.723 -4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.811 -11.756 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.752 -11.398 -5.573 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.086 -18.337 -4.874 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.239 -19.507 -5.071 1.00 0.00 C ATOM 1749 C GLU A 116 -4.254 -19.950 -6.532 1.00 0.00 C ATOM 1750 O GLU A 116 -5.251 -20.479 -7.020 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.702 -20.657 -4.174 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.579 -21.589 -3.751 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.078 -22.779 -2.954 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.458 -23.793 -3.575 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -4.087 -22.695 -1.708 1.00 0.00 O ATOM 0 H GLU A 116 -5.946 -18.521 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.219 -19.234 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.175 -20.244 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.463 -21.234 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.054 -21.945 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.856 -21.033 -3.153 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.140 -19.728 -7.223 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.024 -20.105 -8.626 1.00 0.00 C ATOM 1764 C ALA A 117 -3.579 -21.505 -8.866 1.00 0.00 C ATOM 1765 O ALA A 117 -4.427 -21.707 -9.736 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.573 -20.027 -9.075 1.00 0.00 C ATOM 0 H ALA A 117 -2.306 -19.289 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.614 -19.403 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.501 -20.311 -10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.207 -19.008 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.969 -20.706 -8.473 1.00 0.00 H new