USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-6.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 17 MET CE :methyl -157:sc= -0.368 (180deg=-1.89) USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= -0.744 (180deg=-2.64!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.393 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 135:sc= -0.76 (180deg=-4.24!) USER MOD Single : A 39 TYR OH : rot -140:sc= 0.902 USER MOD Single : A 52 ASN : amide:sc= -5.66! C(o=-5.7!,f=-5.7!) USER MOD Single : A 55 MET CE :methyl -179:sc= -2.43 (180deg=-2.48) USER MOD Single : A 60 GLN :FLIP amide:sc= -1.73 F(o=-2.7!,f=-1.7) USER MOD Single : A 65 ASN : amide:sc= -3.71! C(o=-3.7!,f=-7.3!) USER MOD Single : A 72 MET CE :methyl -156:sc= -0.78 (180deg=-2.61!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.429 -3.716 -3.955 1.00 0.00 N ATOM 149 CA PHE A 13 9.908 -3.043 -2.753 1.00 0.00 C ATOM 150 C PHE A 13 8.740 -2.583 -1.886 1.00 0.00 C ATOM 151 O PHE A 13 7.658 -2.279 -2.390 1.00 0.00 O ATOM 152 CB PHE A 13 10.783 -1.845 -3.128 1.00 0.00 C ATOM 153 CG PHE A 13 10.014 -0.710 -3.742 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.220 0.111 -2.957 1.00 0.00 C ATOM 155 CD2 PHE A 13 10.087 -0.463 -5.103 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.511 1.155 -3.520 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.381 0.580 -5.672 1.00 0.00 C ATOM 158 CZ PHE A 13 8.593 1.391 -4.879 1.00 0.00 C ATOM 0 HA PHE A 13 10.504 -3.754 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.295 -1.486 -2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.553 -2.172 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.155 -0.067 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.703 -1.093 -5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.893 1.786 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.445 0.761 -6.735 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.042 2.208 -5.320 1.00 0.00 H new ATOM 168 N THR A 14 8.966 -2.535 -0.577 1.00 0.00 N ATOM 169 CA THR A 14 7.934 -2.114 0.362 1.00 0.00 C ATOM 170 C THR A 14 7.999 -0.612 0.614 1.00 0.00 C ATOM 171 O THR A 14 8.986 0.042 0.277 1.00 0.00 O ATOM 172 CB THR A 14 8.062 -2.854 1.707 1.00 0.00 C ATOM 173 OG1 THR A 14 9.419 -3.257 1.917 1.00 0.00 O ATOM 174 CG2 THR A 14 7.154 -4.074 1.741 1.00 0.00 C ATOM 0 H THR A 14 9.855 -2.783 -0.143 1.00 0.00 H new ATOM 0 HA THR A 14 6.975 -2.363 -0.092 1.00 0.00 H new ATOM 0 HB THR A 14 7.759 -2.173 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.492 -3.725 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.261 -4.581 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.118 -3.760 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.431 -4.756 0.937 1.00 0.00 H new ATOM 182 N VAL A 15 6.941 -0.070 1.209 1.00 0.00 N ATOM 183 CA VAL A 15 6.878 1.356 1.507 1.00 0.00 C ATOM 184 C VAL A 15 6.335 1.601 2.910 1.00 0.00 C ATOM 185 O VAL A 15 5.382 0.951 3.340 1.00 0.00 O ATOM 186 CB VAL A 15 5.997 2.105 0.489 1.00 0.00 C ATOM 187 CG1 VAL A 15 6.054 3.605 0.735 1.00 0.00 C ATOM 188 CG2 VAL A 15 6.426 1.773 -0.932 1.00 0.00 C ATOM 0 H VAL A 15 6.116 -0.597 1.494 1.00 0.00 H new ATOM 0 HA VAL A 15 7.897 1.737 1.443 1.00 0.00 H new ATOM 0 HB VAL A 15 4.965 1.779 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.426 4.117 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.695 3.823 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.083 3.951 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.793 2.311 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.465 2.070 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.328 0.701 -1.101 1.00 0.00 H new ATOM 198 N ASP A 16 6.947 2.542 3.620 1.00 0.00 N ATOM 199 CA ASP A 16 6.524 2.874 4.975 1.00 0.00 C ATOM 200 C ASP A 16 6.486 4.386 5.178 1.00 0.00 C ATOM 201 O ASP A 16 7.498 5.068 5.017 1.00 0.00 O ATOM 202 CB ASP A 16 7.463 2.233 5.998 1.00 0.00 C ATOM 203 CG ASP A 16 7.027 2.492 7.427 1.00 0.00 C ATOM 204 OD1 ASP A 16 5.830 2.302 7.725 1.00 0.00 O ATOM 205 OD2 ASP A 16 7.884 2.885 8.247 1.00 0.00 O ATOM 0 H ASP A 16 7.738 3.089 3.279 1.00 0.00 H new ATOM 0 HA ASP A 16 5.518 2.480 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.506 1.158 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.472 2.620 5.853 1.00 0.00 H new ATOM 210 N MET A 17 5.314 4.902 5.531 1.00 0.00 N ATOM 211 CA MET A 17 5.145 6.333 5.755 1.00 0.00 C ATOM 212 C MET A 17 4.089 6.595 6.824 1.00 0.00 C ATOM 213 O MET A 17 3.347 5.692 7.210 1.00 0.00 O ATOM 214 CB MET A 17 4.753 7.033 4.452 1.00 0.00 C ATOM 215 CG MET A 17 5.271 6.331 3.207 1.00 0.00 C ATOM 216 SD MET A 17 4.752 7.147 1.685 1.00 0.00 S ATOM 217 CE MET A 17 2.982 7.246 1.939 1.00 0.00 C ATOM 0 H MET A 17 4.467 4.351 5.668 1.00 0.00 H new ATOM 0 HA MET A 17 6.096 6.735 6.103 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.666 7.099 4.397 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.134 8.054 4.469 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.360 6.294 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.917 5.300 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.480 7.334 0.975 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.636 6.346 2.447 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.750 8.119 2.550 1.00 0.00 H new ATOM 227 N GLU A 18 4.027 7.836 7.297 1.00 0.00 N ATOM 228 CA GLU A 18 3.062 8.214 8.323 1.00 0.00 C ATOM 229 C GLU A 18 1.945 9.068 7.729 1.00 0.00 C ATOM 230 O GLU A 18 1.997 9.455 6.562 1.00 0.00 O ATOM 231 CB GLU A 18 3.757 8.978 9.452 1.00 0.00 C ATOM 232 CG GLU A 18 4.242 8.085 10.582 1.00 0.00 C ATOM 233 CD GLU A 18 5.427 8.674 11.323 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.379 9.129 10.655 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.401 8.680 12.572 1.00 0.00 O ATOM 0 H GLU A 18 4.633 8.596 6.987 1.00 0.00 H new ATOM 0 HA GLU A 18 2.624 7.302 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.606 9.524 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.067 9.719 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.425 7.918 11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.519 7.111 10.178 1.00 0.00 H new ATOM 242 N LYS A 19 0.934 9.357 8.542 1.00 0.00 N ATOM 243 CA LYS A 19 -0.197 10.165 8.100 1.00 0.00 C ATOM 244 C LYS A 19 0.112 11.653 8.236 1.00 0.00 C ATOM 245 O LYS A 19 1.048 12.041 8.933 1.00 0.00 O ATOM 246 CB LYS A 19 -1.447 9.816 8.912 1.00 0.00 C ATOM 247 CG LYS A 19 -2.739 10.292 8.272 1.00 0.00 C ATOM 248 CD LYS A 19 -3.945 9.568 8.846 1.00 0.00 C ATOM 249 CE LYS A 19 -4.010 8.126 8.366 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.213 7.421 8.889 1.00 0.00 N ATOM 0 H LYS A 19 0.875 9.044 9.511 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.381 9.945 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.494 8.735 9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.360 10.256 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.850 11.365 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.694 10.129 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.899 9.588 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.856 10.091 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.023 8.106 7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.112 7.597 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.947 6.466 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.605 7.953 9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.928 7.351 8.137 1.00 0.00 H new ATOM 330 N GLY A 25 -1.075 12.066 2.301 1.00 0.00 N ATOM 331 CA GLY A 25 -0.824 12.872 1.121 1.00 0.00 C ATOM 332 C GLY A 25 -0.662 12.032 -0.131 1.00 0.00 C ATOM 333 O GLY A 25 0.181 12.324 -0.979 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.648 13.572 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.077 13.466 1.275 1.00 0.00 H new ATOM 337 N PHE A 26 -1.470 10.983 -0.246 1.00 0.00 N ATOM 338 CA PHE A 26 -1.411 10.096 -1.402 1.00 0.00 C ATOM 339 C PHE A 26 -2.762 9.432 -1.648 1.00 0.00 C ATOM 340 O PHE A 26 -3.479 9.091 -0.707 1.00 0.00 O ATOM 341 CB PHE A 26 -0.335 9.028 -1.197 1.00 0.00 C ATOM 342 CG PHE A 26 -0.849 7.776 -0.546 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.764 6.965 -1.199 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.418 7.409 0.718 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.240 5.813 -0.602 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.890 6.257 1.320 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.801 5.458 0.658 1.00 0.00 C ATOM 0 H PHE A 26 -2.173 10.727 0.447 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.157 10.696 -2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.101 8.773 -2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.466 9.443 -0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.109 7.236 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.295 8.030 1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.955 5.191 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.547 5.983 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.170 4.557 1.125 1.00 0.00 H new ATOM 357 N SER A 27 -3.104 9.251 -2.920 1.00 0.00 N ATOM 358 CA SER A 27 -4.371 8.632 -3.291 1.00 0.00 C ATOM 359 C SER A 27 -4.137 7.350 -4.084 1.00 0.00 C ATOM 360 O SER A 27 -3.007 7.037 -4.460 1.00 0.00 O ATOM 361 CB SER A 27 -5.218 9.606 -4.112 1.00 0.00 C ATOM 362 OG SER A 27 -6.415 8.992 -4.556 1.00 0.00 O ATOM 0 H SER A 27 -2.521 9.524 -3.711 1.00 0.00 H new ATOM 0 HA SER A 27 -4.906 8.380 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.457 10.482 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.645 9.956 -4.971 1.00 0.00 H new ATOM 0 HG SER A 27 -6.939 9.636 -5.077 1.00 0.00 H new ATOM 368 N ILE A 28 -5.214 6.613 -4.335 1.00 0.00 N ATOM 369 CA ILE A 28 -5.127 5.366 -5.085 1.00 0.00 C ATOM 370 C ILE A 28 -6.211 5.291 -6.155 1.00 0.00 C ATOM 371 O ILE A 28 -7.134 6.105 -6.176 1.00 0.00 O ATOM 372 CB ILE A 28 -5.251 4.142 -4.158 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.011 4.515 -2.883 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.874 3.593 -3.818 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.565 3.321 -2.138 1.00 0.00 C ATOM 0 H ILE A 28 -6.156 6.858 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.147 5.353 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.812 3.366 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.345 5.068 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.832 5.184 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.979 2.729 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.365 3.294 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.290 4.363 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.091 3.661 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.257 2.779 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.747 2.661 -1.848 1.00 0.00 H new ATOM 387 N ARG A 29 -6.093 4.307 -7.041 1.00 0.00 N ATOM 388 CA ARG A 29 -7.063 4.125 -8.114 1.00 0.00 C ATOM 389 C ARG A 29 -7.153 2.658 -8.523 1.00 0.00 C ATOM 390 O ARG A 29 -6.336 1.836 -8.108 1.00 0.00 O ATOM 391 CB ARG A 29 -6.684 4.980 -9.324 1.00 0.00 C ATOM 392 CG ARG A 29 -5.536 4.407 -10.139 1.00 0.00 C ATOM 393 CD ARG A 29 -5.569 4.905 -11.575 1.00 0.00 C ATOM 394 NE ARG A 29 -4.974 6.231 -11.709 1.00 0.00 N ATOM 395 CZ ARG A 29 -5.210 7.043 -12.734 1.00 0.00 C ATOM 396 NH1 ARG A 29 -6.026 6.666 -13.708 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.630 8.236 -12.784 1.00 0.00 N ATOM 0 H ARG A 29 -5.335 3.624 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.038 4.442 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.556 5.090 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.413 5.979 -8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.588 4.684 -9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.589 3.318 -10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.035 4.202 -12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.601 4.934 -11.925 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.342 6.552 -10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.475 5.751 -13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.205 7.291 -14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.003 8.530 -12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.812 8.859 -13.571 1.00 0.00 H new ATOM 411 N GLY A 30 -8.153 2.336 -9.338 1.00 0.00 N ATOM 412 CA GLY A 30 -8.331 0.968 -9.788 1.00 0.00 C ATOM 413 C GLY A 30 -8.883 0.067 -8.701 1.00 0.00 C ATOM 414 O GLY A 30 -9.189 0.525 -7.601 1.00 0.00 O ATOM 0 H GLY A 30 -8.843 2.998 -9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.006 0.955 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.374 0.574 -10.131 1.00 0.00 H new ATOM 418 N GLY A 31 -9.013 -1.220 -9.010 1.00 0.00 N ATOM 419 CA GLY A 31 -9.534 -2.166 -8.042 1.00 0.00 C ATOM 420 C GLY A 31 -10.563 -3.104 -8.642 1.00 0.00 C ATOM 421 O GLY A 31 -10.929 -2.968 -9.809 1.00 0.00 O ATOM 0 H GLY A 31 -8.767 -1.624 -9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.711 -2.750 -7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.984 -1.621 -7.212 1.00 0.00 H new ATOM 425 N ARG A 32 -11.029 -4.058 -7.843 1.00 0.00 N ATOM 426 CA ARG A 32 -12.020 -5.023 -8.304 1.00 0.00 C ATOM 427 C ARG A 32 -13.244 -4.315 -8.877 1.00 0.00 C ATOM 428 O ARG A 32 -13.968 -4.875 -9.699 1.00 0.00 O ATOM 429 CB ARG A 32 -12.441 -5.942 -7.155 1.00 0.00 C ATOM 430 CG ARG A 32 -11.535 -7.149 -6.977 1.00 0.00 C ATOM 431 CD ARG A 32 -11.759 -8.180 -8.073 1.00 0.00 C ATOM 432 NE ARG A 32 -12.890 -9.055 -7.778 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.074 -10.238 -8.354 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.205 -10.685 -9.249 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.129 -10.976 -8.033 1.00 0.00 N ATOM 0 H ARG A 32 -10.737 -4.183 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.566 -5.623 -9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.454 -5.368 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.460 -6.286 -7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.493 -6.828 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.720 -7.604 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.933 -7.670 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.858 -8.781 -8.195 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.576 -8.741 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.393 -10.120 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.349 -11.594 -9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.799 -10.635 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.270 -11.884 -8.476 1.00 0.00 H new ATOM 449 N GLU A 33 -13.467 -3.081 -8.436 1.00 0.00 N ATOM 450 CA GLU A 33 -14.604 -2.297 -8.905 1.00 0.00 C ATOM 451 C GLU A 33 -14.463 -1.967 -10.388 1.00 0.00 C ATOM 452 O GLU A 33 -15.448 -1.942 -11.126 1.00 0.00 O ATOM 453 CB GLU A 33 -14.732 -1.006 -8.094 1.00 0.00 C ATOM 454 CG GLU A 33 -16.158 -0.495 -7.983 1.00 0.00 C ATOM 455 CD GLU A 33 -16.226 1.007 -7.783 1.00 0.00 C ATOM 456 OE1 GLU A 33 -15.718 1.491 -6.750 1.00 0.00 O ATOM 457 OE2 GLU A 33 -16.787 1.698 -8.659 1.00 0.00 O ATOM 0 H GLU A 33 -12.876 -2.603 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.505 -2.894 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.337 -1.176 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.114 -0.235 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.707 -0.763 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.654 -0.992 -7.149 1.00 0.00 H new ATOM 464 N TYR A 34 -13.232 -1.713 -10.817 1.00 0.00 N ATOM 465 CA TYR A 34 -12.961 -1.382 -12.211 1.00 0.00 C ATOM 466 C TYR A 34 -12.225 -2.521 -12.909 1.00 0.00 C ATOM 467 O TYR A 34 -11.680 -2.349 -13.999 1.00 0.00 O ATOM 468 CB TYR A 34 -12.135 -0.097 -12.300 1.00 0.00 C ATOM 469 CG TYR A 34 -12.540 0.954 -11.291 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.583 1.834 -11.556 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.880 1.069 -10.074 1.00 0.00 C ATOM 472 CE1 TYR A 34 -13.956 2.796 -10.638 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.248 2.027 -9.149 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.286 2.889 -9.436 1.00 0.00 C ATOM 475 OH TYR A 34 -13.654 3.845 -8.518 1.00 0.00 O ATOM 0 H TYR A 34 -12.406 -1.730 -10.219 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.916 -1.229 -12.714 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.082 -0.341 -12.156 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.231 0.318 -13.303 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.111 1.764 -12.496 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.065 0.398 -9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.768 3.472 -10.860 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.726 2.101 -8.206 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.082 3.774 -7.725 1.00 0.00 H new ATOM 485 N LYS A 35 -12.215 -3.687 -12.272 1.00 0.00 N ATOM 486 CA LYS A 35 -11.549 -4.858 -12.830 1.00 0.00 C ATOM 487 C LYS A 35 -10.111 -4.532 -13.220 1.00 0.00 C ATOM 488 O LYS A 35 -9.672 -4.845 -14.327 1.00 0.00 O ATOM 489 CB LYS A 35 -12.315 -5.373 -14.051 1.00 0.00 C ATOM 490 CG LYS A 35 -13.753 -5.757 -13.749 1.00 0.00 C ATOM 491 CD LYS A 35 -14.694 -4.578 -13.926 1.00 0.00 C ATOM 492 CE LYS A 35 -15.170 -4.455 -15.365 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.458 -3.714 -15.462 1.00 0.00 N ATOM 0 H LYS A 35 -12.661 -3.846 -11.369 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.533 -5.634 -12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.308 -4.605 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.794 -6.240 -14.457 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.059 -6.570 -14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.824 -6.130 -12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.554 -4.695 -13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.188 -3.659 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.411 -3.943 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.290 -5.450 -15.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.748 -3.652 -16.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.189 -4.216 -14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.337 -2.756 -15.076 1.00 0.00 H new ATOM 507 N MET A 36 -9.382 -3.903 -12.304 1.00 0.00 N ATOM 508 CA MET A 36 -7.992 -3.538 -12.552 1.00 0.00 C ATOM 509 C MET A 36 -7.202 -3.487 -11.248 1.00 0.00 C ATOM 510 O MET A 36 -7.780 -3.486 -10.161 1.00 0.00 O ATOM 511 CB MET A 36 -7.917 -2.184 -13.260 1.00 0.00 C ATOM 512 CG MET A 36 -8.540 -1.047 -12.465 1.00 0.00 C ATOM 513 SD MET A 36 -8.999 0.355 -13.502 1.00 0.00 S ATOM 514 CE MET A 36 -7.816 1.583 -12.954 1.00 0.00 C ATOM 0 H MET A 36 -9.731 -3.635 -11.383 1.00 0.00 H new ATOM 0 HA MET A 36 -7.551 -4.301 -13.194 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.873 -1.946 -13.461 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.419 -2.259 -14.225 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.425 -1.414 -11.945 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.837 -0.714 -11.702 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.389 2.088 -13.820 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.317 2.313 -12.319 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.021 1.096 -12.389 1.00 0.00 H new ATOM 524 N ASP A 37 -5.879 -3.447 -11.364 1.00 0.00 N ATOM 525 CA ASP A 37 -5.010 -3.396 -10.194 1.00 0.00 C ATOM 526 C ASP A 37 -5.109 -2.040 -9.503 1.00 0.00 C ATOM 527 O ASP A 37 -5.725 -1.109 -10.023 1.00 0.00 O ATOM 528 CB ASP A 37 -3.561 -3.673 -10.597 1.00 0.00 C ATOM 529 CG ASP A 37 -3.457 -4.652 -11.749 1.00 0.00 C ATOM 530 OD1 ASP A 37 -4.160 -5.684 -11.717 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.674 -4.386 -12.684 1.00 0.00 O ATOM 0 H ASP A 37 -5.385 -3.449 -12.256 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.337 -4.165 -9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.079 -2.736 -10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.017 -4.068 -9.739 1.00 0.00 H new ATOM 536 N LEU A 38 -4.499 -1.935 -8.328 1.00 0.00 N ATOM 537 CA LEU A 38 -4.518 -0.692 -7.563 1.00 0.00 C ATOM 538 C LEU A 38 -3.261 0.129 -7.828 1.00 0.00 C ATOM 539 O LEU A 38 -2.143 -0.376 -7.724 1.00 0.00 O ATOM 540 CB LEU A 38 -4.640 -0.992 -6.068 1.00 0.00 C ATOM 541 CG LEU A 38 -5.996 -1.521 -5.598 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.824 -2.434 -4.394 1.00 0.00 C ATOM 543 CD2 LEU A 38 -6.931 -0.367 -5.266 1.00 0.00 C ATOM 0 H LEU A 38 -3.985 -2.695 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.383 -0.111 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.875 -1.721 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.417 -0.079 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.440 -2.101 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.799 -2.801 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.190 -3.278 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.360 -1.878 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.891 -0.761 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.493 0.239 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.079 0.248 -6.154 1.00 0.00 H new ATOM 555 N TYR A 39 -3.452 1.399 -8.169 1.00 0.00 N ATOM 556 CA TYR A 39 -2.333 2.291 -8.449 1.00 0.00 C ATOM 557 C TYR A 39 -2.460 3.589 -7.657 1.00 0.00 C ATOM 558 O TYR A 39 -3.508 3.877 -7.078 1.00 0.00 O ATOM 559 CB TYR A 39 -2.261 2.599 -9.946 1.00 0.00 C ATOM 560 CG TYR A 39 -2.589 1.413 -10.824 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.907 1.034 -11.049 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.582 0.672 -11.429 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.212 -0.050 -11.850 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.877 -0.412 -12.234 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.193 -0.769 -12.441 1.00 0.00 C ATOM 566 OH TYR A 39 -3.492 -1.848 -13.240 1.00 0.00 O ATOM 0 H TYR A 39 -4.371 1.833 -8.258 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.415 1.788 -8.144 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.950 3.412 -10.175 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.259 2.953 -10.188 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.707 1.596 -10.590 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.550 0.948 -11.268 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.242 -0.333 -12.013 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.082 -0.976 -12.698 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.850 -2.569 -13.070 1.00 0.00 H new ATOM 576 N VAL A 40 -1.384 4.370 -7.636 1.00 0.00 N ATOM 577 CA VAL A 40 -1.374 5.638 -6.918 1.00 0.00 C ATOM 578 C VAL A 40 -1.939 6.763 -7.779 1.00 0.00 C ATOM 579 O VAL A 40 -1.240 7.323 -8.624 1.00 0.00 O ATOM 580 CB VAL A 40 0.049 6.017 -6.468 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.047 7.367 -5.766 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.626 4.938 -5.563 1.00 0.00 C ATOM 0 H VAL A 40 -0.508 4.146 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.003 5.507 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 40 0.681 6.096 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.061 7.617 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.322 8.132 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.599 7.320 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.632 5.222 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.006 4.826 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.666 3.992 -6.104 1.00 0.00 H new ATOM 592 N LEU A 41 -3.208 7.088 -7.559 1.00 0.00 N ATOM 593 CA LEU A 41 -3.868 8.147 -8.314 1.00 0.00 C ATOM 594 C LEU A 41 -2.958 9.363 -8.457 1.00 0.00 C ATOM 595 O LEU A 41 -2.551 9.720 -9.562 1.00 0.00 O ATOM 596 CB LEU A 41 -5.175 8.551 -7.629 1.00 0.00 C ATOM 597 CG LEU A 41 -6.204 9.259 -8.511 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.581 10.467 -9.194 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.775 8.297 -9.542 1.00 0.00 C ATOM 0 H LEU A 41 -3.800 6.633 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.091 7.764 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.637 7.655 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.935 9.204 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.020 9.606 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.328 10.958 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.222 11.167 -8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.746 10.143 -9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.506 8.818 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.970 7.919 -10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.259 7.464 -9.033 1.00 0.00 H new ATOM 611 N ARG A 42 -2.641 9.993 -7.331 1.00 0.00 N ATOM 612 CA ARG A 42 -1.779 11.169 -7.330 1.00 0.00 C ATOM 613 C ARG A 42 -1.087 11.334 -5.980 1.00 0.00 C ATOM 614 O ARG A 42 -1.468 10.703 -4.993 1.00 0.00 O ATOM 615 CB ARG A 42 -2.590 12.424 -7.656 1.00 0.00 C ATOM 616 CG ARG A 42 -3.165 13.113 -6.429 1.00 0.00 C ATOM 617 CD ARG A 42 -4.094 12.190 -5.656 1.00 0.00 C ATOM 618 NE ARG A 42 -5.056 12.934 -4.847 1.00 0.00 N ATOM 619 CZ ARG A 42 -6.150 13.501 -5.344 1.00 0.00 C ATOM 620 NH1 ARG A 42 -6.418 13.410 -6.639 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.978 14.162 -4.544 1.00 0.00 N ATOM 0 H ARG A 42 -2.968 9.709 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.016 11.029 -8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.954 13.128 -8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.406 12.155 -8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.353 13.440 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.709 14.007 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.629 11.546 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.504 11.539 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.878 13.023 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.784 12.904 -7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.259 13.846 -7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.774 14.235 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.818 14.597 -4.926 1.00 0.00 H new ATOM 635 N LEU A 43 -0.068 12.185 -5.944 1.00 0.00 N ATOM 636 CA LEU A 43 0.679 12.434 -4.715 1.00 0.00 C ATOM 637 C LEU A 43 0.499 13.876 -4.251 1.00 0.00 C ATOM 638 O LEU A 43 0.288 14.778 -5.061 1.00 0.00 O ATOM 639 CB LEU A 43 2.164 12.137 -4.928 1.00 0.00 C ATOM 640 CG LEU A 43 2.614 10.708 -4.618 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.063 10.504 -5.031 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.430 10.401 -3.139 1.00 0.00 C ATOM 0 H LEU A 43 0.260 12.715 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 43 0.289 11.771 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.413 12.358 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.743 12.822 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 43 1.994 10.019 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.366 9.482 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.165 10.682 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.699 11.201 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.755 9.381 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.025 11.096 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.378 10.506 -2.874 1.00 0.00 H new ATOM 654 N ALA A 44 0.585 14.085 -2.941 1.00 0.00 N ATOM 655 CA ALA A 44 0.436 15.418 -2.370 1.00 0.00 C ATOM 656 C ALA A 44 1.778 16.137 -2.296 1.00 0.00 C ATOM 657 O ALA A 44 2.699 15.683 -1.619 1.00 0.00 O ATOM 658 CB ALA A 44 -0.195 15.331 -0.988 1.00 0.00 C ATOM 0 H ALA A 44 0.757 13.349 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.220 15.995 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.301 16.333 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.177 14.865 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.440 14.733 -0.335 1.00 0.00 H new ATOM 664 N GLU A 45 1.882 17.261 -2.999 1.00 0.00 N ATOM 665 CA GLU A 45 3.113 18.041 -3.014 1.00 0.00 C ATOM 666 C GLU A 45 3.510 18.459 -1.601 1.00 0.00 C ATOM 667 O GLU A 45 4.692 18.625 -1.300 1.00 0.00 O ATOM 668 CB GLU A 45 2.947 19.281 -3.896 1.00 0.00 C ATOM 669 CG GLU A 45 1.797 20.179 -3.473 1.00 0.00 C ATOM 670 CD GLU A 45 1.709 21.445 -4.303 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.754 22.102 -4.494 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.597 21.778 -4.762 1.00 0.00 O ATOM 0 H GLU A 45 1.128 17.651 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 45 3.904 17.414 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.872 19.857 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.790 18.965 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.860 19.628 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.916 20.445 -2.423 1.00 0.00 H new ATOM 679 N ASP A 46 2.514 18.626 -0.738 1.00 0.00 N ATOM 680 CA ASP A 46 2.757 19.023 0.644 1.00 0.00 C ATOM 681 C ASP A 46 2.376 17.903 1.606 1.00 0.00 C ATOM 682 O ASP A 46 1.976 18.156 2.742 1.00 0.00 O ATOM 683 CB ASP A 46 1.970 20.291 0.979 1.00 0.00 C ATOM 684 CG ASP A 46 2.522 21.012 2.192 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.756 21.192 2.266 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.721 21.398 3.069 1.00 0.00 O ATOM 0 H ASP A 46 1.530 18.493 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 46 3.822 19.226 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.988 20.963 0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.927 20.031 1.158 1.00 0.00 H new ATOM 691 N GLY A 47 2.502 16.663 1.144 1.00 0.00 N ATOM 692 CA GLY A 47 2.165 15.523 1.976 1.00 0.00 C ATOM 693 C GLY A 47 3.378 14.685 2.329 1.00 0.00 C ATOM 694 O GLY A 47 4.452 14.831 1.745 1.00 0.00 O ATOM 0 H GLY A 47 2.832 16.428 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.690 15.873 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.436 14.901 1.457 1.00 0.00 H new ATOM 698 N PRO A 48 3.214 13.784 3.309 1.00 0.00 N ATOM 699 CA PRO A 48 4.294 12.903 3.763 1.00 0.00 C ATOM 700 C PRO A 48 4.658 11.849 2.722 1.00 0.00 C ATOM 701 O PRO A 48 5.779 11.342 2.705 1.00 0.00 O ATOM 702 CB PRO A 48 3.710 12.240 5.013 1.00 0.00 C ATOM 703 CG PRO A 48 2.234 12.289 4.813 1.00 0.00 C ATOM 704 CD PRO A 48 1.962 13.556 4.050 1.00 0.00 C ATOM 0 HA PRO A 48 5.217 13.452 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.062 11.214 5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.005 12.772 5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.886 11.417 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.710 12.289 5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.112 13.445 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.734 14.386 4.718 1.00 0.00 H new ATOM 712 N ALA A 49 3.704 11.526 1.855 1.00 0.00 N ATOM 713 CA ALA A 49 3.926 10.535 0.810 1.00 0.00 C ATOM 714 C ALA A 49 4.946 11.031 -0.209 1.00 0.00 C ATOM 715 O ALA A 49 5.979 10.396 -0.427 1.00 0.00 O ATOM 716 CB ALA A 49 2.613 10.191 0.122 1.00 0.00 C ATOM 0 H ALA A 49 2.770 11.936 1.856 1.00 0.00 H new ATOM 0 HA ALA A 49 4.326 9.634 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.793 9.450 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.914 9.786 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.190 11.091 -0.325 1.00 0.00 H new ATOM 722 N ILE A 50 4.649 12.167 -0.831 1.00 0.00 N ATOM 723 CA ILE A 50 5.541 12.747 -1.827 1.00 0.00 C ATOM 724 C ILE A 50 6.935 12.973 -1.252 1.00 0.00 C ATOM 725 O ILE A 50 7.893 13.204 -1.990 1.00 0.00 O ATOM 726 CB ILE A 50 4.995 14.085 -2.361 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.532 14.355 -3.768 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.365 15.221 -1.420 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.730 15.384 -4.533 1.00 0.00 C ATOM 0 H ILE A 50 3.798 12.704 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 50 5.601 12.034 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 50 3.908 14.022 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.566 14.693 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.541 13.421 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.972 16.160 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.938 15.031 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.450 15.287 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.168 15.525 -5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.701 15.039 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.742 16.330 -3.992 1.00 0.00 H new ATOM 741 N ARG A 51 7.041 12.904 0.071 1.00 0.00 N ATOM 742 CA ARG A 51 8.318 13.101 0.746 1.00 0.00 C ATOM 743 C ARG A 51 9.019 11.766 0.983 1.00 0.00 C ATOM 744 O ARG A 51 10.230 11.719 1.199 1.00 0.00 O ATOM 745 CB ARG A 51 8.109 13.822 2.079 1.00 0.00 C ATOM 746 CG ARG A 51 7.652 15.264 1.926 1.00 0.00 C ATOM 747 CD ARG A 51 7.024 15.788 3.208 1.00 0.00 C ATOM 748 NE ARG A 51 8.013 16.400 4.091 1.00 0.00 N ATOM 749 CZ ARG A 51 7.801 16.634 5.382 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.642 16.308 5.936 1.00 0.00 N ATOM 751 NH2 ARG A 51 8.751 17.195 6.120 1.00 0.00 N ATOM 0 H ARG A 51 6.258 12.713 0.696 1.00 0.00 H new ATOM 0 HA ARG A 51 8.949 13.715 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.370 13.276 2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.042 13.803 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.502 15.889 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.931 15.334 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.255 16.520 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.529 14.969 3.730 1.00 0.00 H new ATOM 0 HE ARG A 51 8.916 16.662 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.910 15.876 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.482 16.489 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.644 17.447 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.588 17.374 7.111 1.00 0.00 H new ATOM 765 N ASN A 52 8.250 10.683 0.940 1.00 0.00 N ATOM 766 CA ASN A 52 8.797 9.348 1.150 1.00 0.00 C ATOM 767 C ASN A 52 9.727 8.955 0.007 1.00 0.00 C ATOM 768 O ASN A 52 10.881 8.591 0.229 1.00 0.00 O ATOM 769 CB ASN A 52 7.666 8.325 1.277 1.00 0.00 C ATOM 770 CG ASN A 52 8.053 6.965 0.730 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.035 6.364 1.165 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.279 6.472 -0.231 1.00 0.00 N ATOM 0 H ASN A 52 7.246 10.704 0.762 1.00 0.00 H new ATOM 0 HA ASN A 52 9.373 9.360 2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.386 8.226 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.787 8.691 0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.489 5.561 -0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.474 7.005 -0.562 1.00 0.00 H new ATOM 779 N GLY A 53 9.216 9.031 -1.218 1.00 0.00 N ATOM 780 CA GLY A 53 10.014 8.681 -2.379 1.00 0.00 C ATOM 781 C GLY A 53 9.804 7.245 -2.815 1.00 0.00 C ATOM 782 O GLY A 53 9.510 6.979 -3.981 1.00 0.00 O ATOM 0 H GLY A 53 8.263 9.329 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.763 9.348 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.068 8.838 -2.152 1.00 0.00 H new ATOM 786 N ARG A 54 9.956 6.315 -1.877 1.00 0.00 N ATOM 787 CA ARG A 54 9.784 4.898 -2.172 1.00 0.00 C ATOM 788 C ARG A 54 8.528 4.664 -3.006 1.00 0.00 C ATOM 789 O ARG A 54 8.448 3.703 -3.771 1.00 0.00 O ATOM 790 CB ARG A 54 9.704 4.091 -0.874 1.00 0.00 C ATOM 791 CG ARG A 54 11.052 3.872 -0.209 1.00 0.00 C ATOM 792 CD ARG A 54 11.757 2.647 -0.769 1.00 0.00 C ATOM 793 NE ARG A 54 13.168 2.607 -0.394 1.00 0.00 N ATOM 794 CZ ARG A 54 13.938 1.535 -0.542 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.437 0.420 -1.055 1.00 0.00 N ATOM 796 NH2 ARG A 54 15.213 1.577 -0.177 1.00 0.00 N ATOM 0 H ARG A 54 10.198 6.518 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 54 10.648 4.565 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.044 4.606 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.251 3.122 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.678 4.752 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.914 3.754 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.260 1.746 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.671 2.644 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 54 13.585 3.449 0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.458 0.384 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.031 -0.402 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.603 2.433 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.804 0.753 -0.291 1.00 0.00 H new ATOM 810 N MET A 55 7.549 5.550 -2.853 1.00 0.00 N ATOM 811 CA MET A 55 6.297 5.441 -3.593 1.00 0.00 C ATOM 812 C MET A 55 6.057 6.685 -4.443 1.00 0.00 C ATOM 813 O MET A 55 6.318 7.806 -4.006 1.00 0.00 O ATOM 814 CB MET A 55 5.127 5.233 -2.630 1.00 0.00 C ATOM 815 CG MET A 55 4.491 6.531 -2.158 1.00 0.00 C ATOM 816 SD MET A 55 3.248 7.153 -3.306 1.00 0.00 S ATOM 817 CE MET A 55 1.748 6.862 -2.372 1.00 0.00 C ATOM 0 H MET A 55 7.599 6.351 -2.224 1.00 0.00 H new ATOM 0 HA MET A 55 6.370 4.579 -4.256 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.368 4.623 -3.120 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.476 4.672 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.032 6.372 -1.182 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.267 7.285 -2.026 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.886 7.180 -2.959 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.661 5.799 -2.145 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.783 7.430 -1.442 1.00 0.00 H new ATOM 827 N ARG A 56 5.560 6.479 -5.658 1.00 0.00 N ATOM 828 CA ARG A 56 5.287 7.584 -6.569 1.00 0.00 C ATOM 829 C ARG A 56 3.951 7.386 -7.278 1.00 0.00 C ATOM 830 O ARG A 56 3.216 6.442 -6.989 1.00 0.00 O ATOM 831 CB ARG A 56 6.410 7.713 -7.600 1.00 0.00 C ATOM 832 CG ARG A 56 7.517 8.665 -7.178 1.00 0.00 C ATOM 833 CD ARG A 56 8.479 8.004 -6.204 1.00 0.00 C ATOM 834 NE ARG A 56 9.834 8.536 -6.327 1.00 0.00 N ATOM 835 CZ ARG A 56 10.202 9.725 -5.862 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.320 10.502 -5.247 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.453 10.139 -6.012 1.00 0.00 N ATOM 0 H ARG A 56 5.338 5.557 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 56 5.235 8.501 -5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.839 6.728 -7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.987 8.056 -8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.064 9.002 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.080 9.550 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.122 8.153 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.494 6.929 -6.383 1.00 0.00 H new ATOM 0 HE ARG A 56 10.536 7.963 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.357 10.187 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.605 11.414 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.134 9.544 -6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.734 11.052 -5.655 1.00 0.00 H new ATOM 851 N VAL A 57 3.642 8.284 -8.208 1.00 0.00 N ATOM 852 CA VAL A 57 2.395 8.209 -8.960 1.00 0.00 C ATOM 853 C VAL A 57 2.588 7.455 -10.271 1.00 0.00 C ATOM 854 O VAL A 57 3.261 7.935 -11.182 1.00 0.00 O ATOM 855 CB VAL A 57 1.837 9.612 -9.265 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.520 9.511 -10.020 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.664 10.407 -7.979 1.00 0.00 C ATOM 0 H VAL A 57 4.239 9.072 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 57 1.682 7.671 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 57 2.551 10.138 -9.898 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.141 10.512 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.679 8.982 -10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.205 8.966 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.269 11.396 -8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.970 9.886 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.629 10.510 -7.482 1.00 0.00 H new ATOM 867 N GLY A 58 1.992 6.270 -10.359 1.00 0.00 N ATOM 868 CA GLY A 58 2.110 5.468 -11.563 1.00 0.00 C ATOM 869 C GLY A 58 2.397 4.010 -11.263 1.00 0.00 C ATOM 870 O GLY A 58 2.175 3.141 -12.106 1.00 0.00 O ATOM 0 H GLY A 58 1.430 5.851 -9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.187 5.543 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.907 5.871 -12.188 1.00 0.00 H new ATOM 874 N ASP A 59 2.893 3.742 -10.060 1.00 0.00 N ATOM 875 CA ASP A 59 3.212 2.379 -9.651 1.00 0.00 C ATOM 876 C ASP A 59 1.940 1.589 -9.357 1.00 0.00 C ATOM 877 O ASP A 59 0.836 2.128 -9.417 1.00 0.00 O ATOM 878 CB ASP A 59 4.116 2.393 -8.417 1.00 0.00 C ATOM 879 CG ASP A 59 5.175 3.475 -8.487 1.00 0.00 C ATOM 880 OD1 ASP A 59 4.854 4.641 -8.171 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.324 3.157 -8.858 1.00 0.00 O ATOM 0 H ASP A 59 3.083 4.450 -9.351 1.00 0.00 H new ATOM 0 HA ASP A 59 3.739 1.892 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.507 2.542 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.600 1.422 -8.314 1.00 0.00 H new ATOM 886 N GLN A 60 2.106 0.309 -9.040 1.00 0.00 N ATOM 887 CA GLN A 60 0.971 -0.556 -8.739 1.00 0.00 C ATOM 888 C GLN A 60 1.090 -1.141 -7.336 1.00 0.00 C ATOM 889 O GLN A 60 2.060 -1.832 -7.021 1.00 0.00 O ATOM 890 CB GLN A 60 0.874 -1.683 -9.768 1.00 0.00 C ATOM 891 CG GLN A 60 -0.497 -2.336 -9.828 1.00 0.00 C ATOM 892 CD GLN A 60 -0.422 -3.830 -10.074 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.951 -4.612 -9.139 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.106 -4.278 -11.092 1.00 0.00 N flip ATOM 0 H GLN A 60 3.014 -0.152 -8.985 1.00 0.00 H new ATOM 0 HA GLN A 60 0.064 0.047 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.122 -1.287 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.619 -2.443 -9.533 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.024 -2.152 -8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.083 -1.870 -10.621 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.500 -3.641 -11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.149 -5.286 -11.243 1.00 0.00 H new ATOM 903 N ILE A 61 0.099 -0.861 -6.497 1.00 0.00 N ATOM 904 CA ILE A 61 0.093 -1.361 -5.127 1.00 0.00 C ATOM 905 C ILE A 61 -0.439 -2.788 -5.065 1.00 0.00 C ATOM 906 O ILE A 61 -1.596 -3.045 -5.399 1.00 0.00 O ATOM 907 CB ILE A 61 -0.758 -0.467 -4.206 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.383 1.004 -4.398 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.576 -0.880 -2.753 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.450 1.966 -3.924 1.00 0.00 C ATOM 0 H ILE A 61 -0.711 -0.291 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 61 1.126 -1.346 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.808 -0.592 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.543 1.208 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.185 1.185 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.183 -0.239 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.887 -1.917 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.473 -0.780 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.116 2.990 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.371 1.790 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.632 1.812 -2.860 1.00 0.00 H new ATOM 922 N ILE A 62 0.412 -3.713 -4.635 1.00 0.00 N ATOM 923 CA ILE A 62 0.027 -5.115 -4.526 1.00 0.00 C ATOM 924 C ILE A 62 -0.244 -5.499 -3.075 1.00 0.00 C ATOM 925 O ILE A 62 -0.925 -6.487 -2.802 1.00 0.00 O ATOM 926 CB ILE A 62 1.114 -6.044 -5.098 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.495 -5.402 -4.947 1.00 0.00 C ATOM 928 CG2 ILE A 62 0.827 -6.358 -6.558 1.00 0.00 C ATOM 929 CD1 ILE A 62 2.836 -4.435 -6.058 1.00 0.00 C ATOM 0 H ILE A 62 1.373 -3.517 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.886 -5.238 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 62 1.105 -6.979 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.540 -4.877 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.250 -6.187 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.604 -7.015 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.141 -6.852 -6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.812 -5.432 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.828 -4.018 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.823 -4.959 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.102 -3.629 -6.077 1.00 0.00 H new ATOM 941 N GLU A 63 0.294 -4.712 -2.150 1.00 0.00 N ATOM 942 CA GLU A 63 0.109 -4.970 -0.726 1.00 0.00 C ATOM 943 C GLU A 63 -0.297 -3.696 0.010 1.00 0.00 C ATOM 944 O GLU A 63 0.074 -2.592 -0.389 1.00 0.00 O ATOM 945 CB GLU A 63 1.394 -5.536 -0.118 1.00 0.00 C ATOM 946 CG GLU A 63 1.154 -6.424 1.092 1.00 0.00 C ATOM 947 CD GLU A 63 2.397 -6.600 1.942 1.00 0.00 C ATOM 948 OE1 GLU A 63 3.333 -7.290 1.487 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.434 -6.048 3.062 1.00 0.00 O ATOM 0 H GLU A 63 0.861 -3.891 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.691 -5.702 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.925 -6.108 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.044 -4.710 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.359 -5.994 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.806 -7.401 0.758 1.00 0.00 H new ATOM 956 N ILE A 64 -1.061 -3.860 1.084 1.00 0.00 N ATOM 957 CA ILE A 64 -1.518 -2.724 1.876 1.00 0.00 C ATOM 958 C ILE A 64 -1.509 -3.053 3.365 1.00 0.00 C ATOM 959 O ILE A 64 -2.082 -4.055 3.792 1.00 0.00 O ATOM 960 CB ILE A 64 -2.936 -2.286 1.466 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.940 -1.779 0.023 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.453 -1.212 2.412 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.328 -1.546 -0.532 1.00 0.00 C ATOM 0 H ILE A 64 -1.377 -4.768 1.426 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.825 -1.905 1.683 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.599 -3.149 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.376 -0.848 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.421 -2.500 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.456 -0.913 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.483 -1.606 3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.790 -0.347 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.254 -1.187 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.889 -2.480 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.843 -0.802 0.076 1.00 0.00 H new ATOM 975 N ASN A 65 -0.857 -2.202 4.150 1.00 0.00 N ATOM 976 CA ASN A 65 -0.775 -2.401 5.592 1.00 0.00 C ATOM 977 C ASN A 65 -0.725 -3.887 5.934 1.00 0.00 C ATOM 978 O ASN A 65 -1.461 -4.362 6.798 1.00 0.00 O ATOM 979 CB ASN A 65 -1.971 -1.747 6.287 1.00 0.00 C ATOM 980 CG ASN A 65 -1.696 -0.308 6.679 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.644 0.004 7.239 1.00 0.00 O ATOM 982 ND2 ASN A 65 -2.642 0.576 6.387 1.00 0.00 N ATOM 0 H ASN A 65 -0.378 -1.368 3.812 1.00 0.00 H new ATOM 0 HA ASN A 65 0.143 -1.933 5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.836 -1.781 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.228 -2.320 7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.513 1.559 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.498 0.272 5.922 1.00 0.00 H new ATOM 1072 N MET A 72 -9.969 -7.109 -3.864 1.00 0.00 N ATOM 1073 CA MET A 72 -10.381 -5.945 -3.089 1.00 0.00 C ATOM 1074 C MET A 72 -10.851 -4.820 -4.006 1.00 0.00 C ATOM 1075 O MET A 72 -10.468 -4.756 -5.174 1.00 0.00 O ATOM 1076 CB MET A 72 -9.228 -5.455 -2.212 1.00 0.00 C ATOM 1077 CG MET A 72 -8.499 -6.574 -1.486 1.00 0.00 C ATOM 1078 SD MET A 72 -7.809 -6.044 0.093 1.00 0.00 S ATOM 1079 CE MET A 72 -6.983 -4.530 -0.389 1.00 0.00 C ATOM 0 HA MET A 72 -11.213 -6.241 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.516 -4.911 -2.833 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.615 -4.749 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.188 -7.402 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.697 -6.951 -2.120 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.184 -4.310 0.319 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.561 -4.648 -1.387 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.700 -3.709 -0.393 1.00 0.00 H new ATOM 1089 N THR A 73 -11.685 -3.934 -3.469 1.00 0.00 N ATOM 1090 CA THR A 73 -12.208 -2.813 -4.239 1.00 0.00 C ATOM 1091 C THR A 73 -11.553 -1.503 -3.818 1.00 0.00 C ATOM 1092 O THR A 73 -11.232 -1.307 -2.645 1.00 0.00 O ATOM 1093 CB THR A 73 -13.735 -2.685 -4.078 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.066 -2.469 -2.702 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.439 -3.935 -4.585 1.00 0.00 C ATOM 0 H THR A 73 -12.012 -3.972 -2.504 1.00 0.00 H new ATOM 0 HA THR A 73 -11.975 -3.012 -5.285 1.00 0.00 H new ATOM 0 HB THR A 73 -14.071 -1.833 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.038 -2.387 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.516 -3.822 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.208 -4.080 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.098 -4.800 -4.017 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.357 -0.608 -4.781 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.740 0.685 -4.509 1.00 0.00 C ATOM 1105 C HIS A 74 -11.153 1.206 -3.135 1.00 0.00 C ATOM 1106 O HIS A 74 -10.360 1.836 -2.436 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.129 1.696 -5.588 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.336 2.966 -5.533 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.710 4.116 -6.194 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.183 3.262 -4.888 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.821 5.065 -5.960 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.885 4.573 -5.169 1.00 0.00 N ATOM 0 H HIS A 74 -11.617 -0.755 -5.756 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.658 0.553 -4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -10.998 1.238 -6.568 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.188 1.934 -5.487 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.605 2.592 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.854 6.072 -6.349 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.073 5.084 -4.823 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.398 0.938 -2.756 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.915 1.378 -1.466 1.00 0.00 C ATOM 1123 C ALA A 75 -12.095 0.798 -0.319 1.00 0.00 C ATOM 1124 O ALA A 75 -11.699 1.516 0.599 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.378 0.986 -1.322 1.00 0.00 C ATOM 0 H ALA A 75 -13.067 0.418 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.835 2.464 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.751 1.321 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.960 1.453 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.473 -0.098 -1.392 1.00 0.00 H new ATOM 1131 N ARG A 76 -11.844 -0.506 -0.378 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.073 -1.183 0.658 1.00 0.00 C ATOM 1133 C ARG A 76 -9.712 -0.518 0.844 1.00 0.00 C ATOM 1134 O ARG A 76 -9.406 0.001 1.917 1.00 0.00 O ATOM 1135 CB ARG A 76 -10.886 -2.659 0.302 1.00 0.00 C ATOM 1136 CG ARG A 76 -9.908 -3.386 1.211 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.364 -3.350 2.661 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.917 -4.525 3.404 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.437 -4.900 4.568 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.417 -4.196 5.118 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.977 -5.982 5.183 1.00 0.00 N ATOM 0 H ARG A 76 -12.163 -1.114 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.626 -1.109 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.853 -3.160 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.536 -2.734 -0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.808 -4.421 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.922 -2.928 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.979 -2.450 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.452 -3.290 2.698 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.165 -5.089 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.774 -3.364 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.814 -4.486 6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.224 -6.526 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.376 -6.269 6.076 1.00 0.00 H new ATOM 1155 N ALA A 77 -8.900 -0.538 -0.207 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.573 0.064 -0.160 1.00 0.00 C ATOM 1157 C ALA A 77 -7.625 1.459 0.455 1.00 0.00 C ATOM 1158 O ALA A 77 -6.654 1.919 1.055 1.00 0.00 O ATOM 1159 CB ALA A 77 -6.970 0.122 -1.555 1.00 0.00 C ATOM 0 H ALA A 77 -9.138 -0.965 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.940 -0.560 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.979 0.574 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.888 -0.887 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.609 0.721 -2.203 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.763 2.126 0.300 1.00 0.00 N ATOM 1166 CA ILE A 78 -8.941 3.468 0.840 1.00 0.00 C ATOM 1167 C ILE A 78 -9.226 3.425 2.338 1.00 0.00 C ATOM 1168 O ILE A 78 -8.861 4.340 3.075 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.088 4.213 0.132 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.748 4.434 -1.343 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.363 5.541 0.822 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -8.883 5.650 -1.589 1.00 0.00 C ATOM 0 H ILE A 78 -9.576 1.759 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.008 4.004 0.665 1.00 0.00 H new ATOM 0 HB ILE A 78 -10.989 3.602 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.236 3.551 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.674 4.536 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.176 6.056 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.644 5.361 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.466 6.160 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.682 5.744 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.401 6.542 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.941 5.542 -1.051 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.878 2.354 2.780 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.210 2.191 4.190 1.00 0.00 C ATOM 1186 C GLU A 79 -9.049 1.561 4.954 1.00 0.00 C ATOM 1187 O GLU A 79 -8.935 1.715 6.171 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.465 1.329 4.345 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.167 -0.150 4.529 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.414 -0.965 4.814 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.386 -0.851 4.038 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.418 -1.715 5.812 1.00 0.00 O ATOM 0 H GLU A 79 -10.186 1.587 2.182 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.403 3.179 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.037 1.685 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.095 1.458 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.684 -0.534 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.460 -0.275 5.349 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.190 0.851 4.231 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.036 0.197 4.839 1.00 0.00 C ATOM 1201 C LEU A 80 -6.000 1.223 5.284 1.00 0.00 C ATOM 1202 O LEU A 80 -5.397 1.090 6.350 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.406 -0.788 3.853 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.231 -2.033 3.527 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.417 -3.010 2.693 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.722 -2.698 4.804 1.00 0.00 C ATOM 0 H LEU A 80 -8.270 0.713 3.224 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.379 -0.348 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.201 -0.259 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.445 -1.109 4.255 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.100 -1.727 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.021 -3.890 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.117 -2.531 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.529 -3.310 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.307 -3.582 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.867 -2.990 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.344 -1.998 5.363 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.798 2.247 4.462 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.837 3.298 4.773 1.00 0.00 C ATOM 1220 C ILE A 81 -5.222 4.036 6.050 1.00 0.00 C ATOM 1221 O ILE A 81 -4.361 4.523 6.783 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.722 4.314 3.622 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.465 3.591 2.298 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.613 5.316 3.908 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -4.906 4.378 1.084 1.00 0.00 C ATOM 0 H ILE A 81 -6.287 2.371 3.576 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.872 2.811 4.915 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.664 4.857 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.400 3.374 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.986 2.634 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.544 6.027 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.835 5.850 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.665 4.789 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.693 3.805 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.977 4.573 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.366 5.324 1.048 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.522 4.113 6.313 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.024 4.788 7.504 1.00 0.00 C ATOM 1239 C LYS A 82 -7.302 3.786 8.621 1.00 0.00 C ATOM 1240 O LYS A 82 -7.473 4.166 9.779 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.299 5.567 7.175 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.163 4.901 6.117 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.440 5.685 5.866 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.163 6.979 5.116 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.362 7.860 5.067 1.00 0.00 N ATOM 0 H LYS A 82 -7.248 3.716 5.717 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.258 5.484 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.885 5.690 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.027 6.566 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.600 4.814 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.413 3.889 6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.137 5.073 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.922 5.911 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.342 7.510 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.840 6.748 4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.132 8.731 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.138 7.364 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.655 8.102 6.035 1.00 0.00 H new ATOM 1259 N SER A 83 -7.344 2.506 8.265 1.00 0.00 N ATOM 1260 CA SER A 83 -7.604 1.451 9.237 1.00 0.00 C ATOM 1261 C SER A 83 -6.349 1.138 10.047 1.00 0.00 C ATOM 1262 O SER A 83 -6.429 0.763 11.216 1.00 0.00 O ATOM 1263 CB SER A 83 -8.096 0.187 8.530 1.00 0.00 C ATOM 1264 OG SER A 83 -8.153 -0.910 9.426 1.00 0.00 O ATOM 0 H SER A 83 -7.201 2.175 7.311 1.00 0.00 H new ATOM 0 HA SER A 83 -8.378 1.802 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.084 0.365 8.105 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.431 -0.052 7.700 1.00 0.00 H new ATOM 0 HG SER A 83 -8.472 -1.705 8.950 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.190 1.296 9.415 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.934 1.026 10.091 1.00 0.00 C ATOM 1272 C GLY A 84 -3.629 2.042 11.174 1.00 0.00 C ATOM 1273 O GLY A 84 -3.145 1.688 12.249 1.00 0.00 O ATOM 0 H GLY A 84 -5.098 1.606 8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.969 0.029 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.125 1.024 9.361 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.910 3.310 10.891 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.654 4.361 11.858 1.00 0.00 C ATOM 1279 C GLY A 85 -2.839 5.499 11.276 1.00 0.00 C ATOM 1280 O GLY A 85 -3.135 5.989 10.186 1.00 0.00 O ATOM 0 H GLY A 85 -4.311 3.628 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.603 4.750 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.126 3.942 12.715 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.811 5.921 12.005 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.953 7.010 11.555 1.00 0.00 C ATOM 1286 C ARG A 86 0.188 6.483 10.690 1.00 0.00 C ATOM 1287 O ARG A 86 0.834 7.241 9.967 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.386 7.770 12.756 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.215 8.979 13.159 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.823 9.490 14.536 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.645 10.622 14.954 1.00 0.00 N ATOM 1292 CZ ARG A 86 -2.934 10.522 15.261 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -3.544 9.346 15.197 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -3.614 11.598 15.633 1.00 0.00 N ATOM 0 H ARG A 86 -1.552 5.526 12.909 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.557 7.690 10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.315 7.090 13.605 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.628 8.096 12.523 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.083 9.773 12.424 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.272 8.714 13.156 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.920 8.684 15.263 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.226 9.787 14.527 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.205 11.540 15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.024 8.516 14.912 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.533 9.271 15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.148 12.504 15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.603 11.520 15.868 1.00 0.00 H new ATOM 1308 N ARG A 87 0.429 5.178 10.770 1.00 0.00 N ATOM 1309 CA ARG A 87 1.492 4.549 9.995 1.00 0.00 C ATOM 1310 C ARG A 87 0.918 3.557 8.989 1.00 0.00 C ATOM 1311 O ARG A 87 0.145 2.669 9.348 1.00 0.00 O ATOM 1312 CB ARG A 87 2.477 3.837 10.925 1.00 0.00 C ATOM 1313 CG ARG A 87 3.005 4.720 12.044 1.00 0.00 C ATOM 1314 CD ARG A 87 3.703 3.900 13.117 1.00 0.00 C ATOM 1315 NE ARG A 87 2.762 3.370 14.101 1.00 0.00 N ATOM 1316 CZ ARG A 87 2.386 4.033 15.189 1.00 0.00 C ATOM 1317 NH1 ARG A 87 2.868 5.244 15.432 1.00 0.00 N ATOM 1318 NH2 ARG A 87 1.526 3.484 16.037 1.00 0.00 N ATOM 0 H ARG A 87 -0.097 4.536 11.363 1.00 0.00 H new ATOM 0 HA ARG A 87 2.019 5.330 9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.987 2.966 11.361 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.318 3.469 10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.701 5.452 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.181 5.278 12.489 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.241 3.075 12.650 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.444 4.520 13.622 1.00 0.00 H new ATOM 0 HE ARG A 87 2.373 2.440 13.944 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.530 5.669 14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.577 5.750 16.268 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.153 2.552 15.854 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.238 3.993 16.872 1.00 0.00 H new ATOM 1332 N VAL A 88 1.300 3.714 7.725 1.00 0.00 N ATOM 1333 CA VAL A 88 0.824 2.832 6.667 1.00 0.00 C ATOM 1334 C VAL A 88 1.989 2.208 5.906 1.00 0.00 C ATOM 1335 O VAL A 88 3.020 2.847 5.698 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.079 3.586 5.672 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.718 4.638 4.917 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.739 2.611 4.709 1.00 0.00 C ATOM 0 H VAL A 88 1.938 4.444 7.409 1.00 0.00 H new ATOM 0 HA VAL A 88 0.244 2.044 7.148 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.863 4.094 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.063 5.160 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.138 5.353 5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.525 4.156 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.373 3.160 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.029 2.073 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.346 1.900 5.270 1.00 0.00 H new ATOM 1348 N ARG A 89 1.816 0.957 5.493 1.00 0.00 N ATOM 1349 CA ARG A 89 2.853 0.246 4.755 1.00 0.00 C ATOM 1350 C ARG A 89 2.251 -0.545 3.597 1.00 0.00 C ATOM 1351 O ARG A 89 1.363 -1.376 3.793 1.00 0.00 O ATOM 1352 CB ARG A 89 3.616 -0.696 5.687 1.00 0.00 C ATOM 1353 CG ARG A 89 4.678 0.001 6.522 1.00 0.00 C ATOM 1354 CD ARG A 89 5.618 -0.999 7.177 1.00 0.00 C ATOM 1355 NE ARG A 89 6.612 -0.343 8.022 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.368 0.067 9.262 1.00 0.00 C ATOM 1357 NH1 ARG A 89 5.168 -0.110 9.798 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.324 0.656 9.968 1.00 0.00 N ATOM 0 H ARG A 89 0.968 0.415 5.657 1.00 0.00 H new ATOM 0 HA ARG A 89 3.545 0.983 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.907 -1.187 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.089 -1.478 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.251 0.680 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.198 0.608 7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.039 -1.702 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.124 -1.580 6.406 1.00 0.00 H new ATOM 0 HE ARG A 89 7.545 -0.191 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.430 -0.562 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.983 0.206 10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.248 0.795 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.135 0.970 10.920 1.00 0.00 H new ATOM 1372 N LEU A 90 2.739 -0.280 2.390 1.00 0.00 N ATOM 1373 CA LEU A 90 2.250 -0.967 1.200 1.00 0.00 C ATOM 1374 C LEU A 90 3.402 -1.333 0.270 1.00 0.00 C ATOM 1375 O LEU A 90 4.409 -0.627 0.204 1.00 0.00 O ATOM 1376 CB LEU A 90 1.241 -0.087 0.458 1.00 0.00 C ATOM 1377 CG LEU A 90 1.382 1.421 0.670 1.00 0.00 C ATOM 1378 CD1 LEU A 90 1.105 2.170 -0.624 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.447 1.894 1.773 1.00 0.00 C ATOM 0 H LEU A 90 3.473 0.405 2.210 1.00 0.00 H new ATOM 0 HA LEU A 90 1.758 -1.886 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.325 -0.293 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.237 -0.384 0.762 1.00 0.00 H new ATOM 0 HG LEU A 90 2.407 1.632 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.210 3.242 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.815 1.852 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.091 1.954 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.561 2.969 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.584 1.670 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.693 1.382 2.703 1.00 0.00 H new ATOM 1391 N LEU A 91 3.246 -2.439 -0.449 1.00 0.00 N ATOM 1392 CA LEU A 91 4.273 -2.899 -1.378 1.00 0.00 C ATOM 1393 C LEU A 91 4.071 -2.285 -2.760 1.00 0.00 C ATOM 1394 O LEU A 91 3.122 -2.624 -3.468 1.00 0.00 O ATOM 1395 CB LEU A 91 4.253 -4.425 -1.477 1.00 0.00 C ATOM 1396 CG LEU A 91 5.440 -5.067 -2.195 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.227 -6.565 -2.346 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.656 -4.418 -3.554 1.00 0.00 C ATOM 0 H LEU A 91 2.419 -3.034 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 91 5.243 -2.579 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.200 -4.834 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.339 -4.724 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 91 6.334 -4.907 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.082 -7.004 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.123 -7.019 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.323 -6.747 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.505 -4.888 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.762 -4.546 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.856 -3.355 -3.422 1.00 0.00 H new ATOM 1410 N LEU A 92 4.970 -1.384 -3.138 1.00 0.00 N ATOM 1411 CA LEU A 92 4.893 -0.724 -4.437 1.00 0.00 C ATOM 1412 C LEU A 92 6.157 -0.976 -5.252 1.00 0.00 C ATOM 1413 O LEU A 92 7.261 -1.017 -4.709 1.00 0.00 O ATOM 1414 CB LEU A 92 4.681 0.780 -4.255 1.00 0.00 C ATOM 1415 CG LEU A 92 4.142 1.534 -5.472 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.637 1.350 -5.590 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.496 3.011 -5.384 1.00 0.00 C ATOM 0 H LEU A 92 5.761 -1.093 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 92 4.045 -1.141 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.992 0.932 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.632 1.228 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 92 4.609 1.122 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.271 1.893 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.408 0.290 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.152 1.734 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.105 3.532 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.058 3.437 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.580 3.124 -5.349 1.00 0.00 H new