USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 766 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 83 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.6) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.197 K(o=-2.1,f=-5.6) USER MOD Set 2.2: A 67 THR OG1 : rot 77:sc= -1.91! USER MOD Set 3.1: A 58 HIS : no HE2:sc= -1.14 X(o=-1.2,f=-1.6) USER MOD Set 3.2: A 62 GLN : amide:sc= -0.0272 X(o=-1.2,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 30:sc= -0.857 USER MOD Single : A 17 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.4!) USER MOD Single : A 18 THR OG1 : rot 131:sc= 1.03 USER MOD Single : A 19 CYS SG : rot 82:sc= -1.09 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -53:sc= 1.14 USER MOD Single : A 28 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 92:sc= 0.379 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.56 F(o=-2.3,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0882 X(o=-0.088,f=0) USER MOD Single : A 37 MET CE :methyl -127:sc= -3.56! (180deg=-5.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.5!) USER MOD Single : A 55 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.8!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.581 F(o=-3.4!,f=-0.58) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -70:sc= -3.3! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.3) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0665 F(o=-0.63,f=-0.067) USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -0.196 (180deg=-0.701) USER MOD Single : A 97 MET CE :methyl 151:sc= -0.625 (180deg=-2.68!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 106 ASN : amide:sc=-0.000483 X(o=-0.00048,f=-0.11) USER MOD Single : A 108 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.1!) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 115 SER OG : rot 72:sc= 0.543 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N ASP A 11 8.900 -17.334 -3.296 1.00 0.00 N ATOM 127 CA ASP A 11 8.418 -18.271 -2.296 1.00 0.00 C ATOM 128 C ASP A 11 7.195 -17.676 -1.594 1.00 0.00 C ATOM 129 O ASP A 11 7.220 -16.523 -1.167 1.00 0.00 O ATOM 130 CB ASP A 11 9.487 -18.543 -1.236 1.00 0.00 C ATOM 131 CG ASP A 11 10.882 -18.843 -1.787 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.598 -17.862 -2.082 1.00 0.00 O ATOM 133 OD2 ASP A 11 11.202 -20.046 -1.899 1.00 0.00 O ATOM 0 HA ASP A 11 8.166 -19.204 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.552 -17.678 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.165 -19.386 -0.625 1.00 0.00 H new ATOM 138 N PHE A 12 6.155 -18.491 -1.495 1.00 0.00 N ATOM 139 CA PHE A 12 4.926 -18.060 -0.851 1.00 0.00 C ATOM 140 C PHE A 12 5.223 -17.190 0.372 1.00 0.00 C ATOM 141 O PHE A 12 4.757 -16.055 0.459 1.00 0.00 O ATOM 142 CB PHE A 12 4.191 -19.323 -0.398 1.00 0.00 C ATOM 143 CG PHE A 12 2.721 -19.094 -0.041 1.00 0.00 C ATOM 144 CD1 PHE A 12 2.382 -18.676 1.208 1.00 0.00 C ATOM 145 CD2 PHE A 12 1.754 -19.309 -0.973 1.00 0.00 C ATOM 146 CE1 PHE A 12 1.017 -18.463 1.539 1.00 0.00 C ATOM 147 CE2 PHE A 12 0.390 -19.097 -0.642 1.00 0.00 C ATOM 148 CZ PHE A 12 0.050 -18.678 0.607 1.00 0.00 C ATOM 0 H PHE A 12 6.138 -19.447 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 12 4.329 -17.470 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.250 -20.069 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.704 -19.738 0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.150 -18.506 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.024 -19.641 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.747 -18.130 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.378 -19.268 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.988 -18.516 0.858 1.00 0.00 H new ATOM 158 N SER A 13 5.997 -17.756 1.287 1.00 0.00 N ATOM 159 CA SER A 13 6.362 -17.047 2.501 1.00 0.00 C ATOM 160 C SER A 13 7.132 -15.772 2.151 1.00 0.00 C ATOM 161 O SER A 13 6.974 -14.746 2.811 1.00 0.00 O ATOM 162 CB SER A 13 7.195 -17.934 3.428 1.00 0.00 C ATOM 163 OG SER A 13 7.241 -17.423 4.757 1.00 0.00 O ATOM 0 H SER A 13 6.381 -18.698 1.211 1.00 0.00 H new ATOM 0 HA SER A 13 5.447 -16.777 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.775 -18.940 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.209 -18.017 3.036 1.00 0.00 H new ATOM 0 HG SER A 13 7.781 -18.018 5.318 1.00 0.00 H new ATOM 169 N SER A 14 7.950 -15.879 1.114 1.00 0.00 N ATOM 170 CA SER A 14 8.746 -14.748 0.669 1.00 0.00 C ATOM 171 C SER A 14 7.837 -13.672 0.072 1.00 0.00 C ATOM 172 O SER A 14 8.109 -12.480 0.207 1.00 0.00 O ATOM 173 CB SER A 14 9.797 -15.183 -0.355 1.00 0.00 C ATOM 174 OG SER A 14 10.784 -16.034 0.222 1.00 0.00 O ATOM 0 H SER A 14 8.079 -16.732 0.569 1.00 0.00 H new ATOM 0 HA SER A 14 9.268 -14.336 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.307 -15.702 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.280 -14.301 -0.776 1.00 0.00 H new ATOM 0 HG SER A 14 10.386 -16.545 0.957 1.00 0.00 H new ATOM 180 N ILE A 15 6.777 -14.131 -0.577 1.00 0.00 N ATOM 181 CA ILE A 15 5.827 -13.222 -1.195 1.00 0.00 C ATOM 182 C ILE A 15 4.865 -12.694 -0.129 1.00 0.00 C ATOM 183 O ILE A 15 4.483 -11.525 -0.156 1.00 0.00 O ATOM 184 CB ILE A 15 5.126 -13.900 -2.374 1.00 0.00 C ATOM 185 CG1 ILE A 15 6.143 -14.527 -3.330 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.191 -12.924 -3.091 1.00 0.00 C ATOM 187 CD1 ILE A 15 5.460 -15.493 -4.300 1.00 0.00 C ATOM 0 H ILE A 15 6.555 -15.120 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 15 6.344 -12.359 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 15 4.509 -14.710 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.652 -13.743 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.905 -15.057 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.705 -13.431 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.434 -12.566 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.767 -12.078 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.205 -15.925 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.972 -16.289 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.716 -14.954 -4.886 1.00 0.00 H new ATOM 199 N ILE A 16 4.500 -13.581 0.785 1.00 0.00 N ATOM 200 CA ILE A 16 3.590 -13.219 1.858 1.00 0.00 C ATOM 201 C ILE A 16 4.247 -12.157 2.742 1.00 0.00 C ATOM 202 O ILE A 16 3.826 -11.001 2.747 1.00 0.00 O ATOM 203 CB ILE A 16 3.142 -14.465 2.625 1.00 0.00 C ATOM 204 CG1 ILE A 16 2.254 -15.355 1.753 1.00 0.00 C ATOM 205 CG2 ILE A 16 2.459 -14.085 3.939 1.00 0.00 C ATOM 206 CD1 ILE A 16 0.951 -15.705 2.476 1.00 0.00 C ATOM 0 H ILE A 16 4.818 -14.550 0.804 1.00 0.00 H new ATOM 0 HA ILE A 16 2.680 -12.778 1.452 1.00 0.00 H new ATOM 0 HB ILE A 16 4.028 -15.046 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.029 -14.844 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.789 -16.269 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.151 -14.989 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.155 -13.524 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.583 -13.471 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.338 -16.338 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.179 -16.237 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.407 -14.790 2.709 1.00 0.00 H new ATOM 218 N GLN A 17 5.268 -12.587 3.468 1.00 0.00 N ATOM 219 CA GLN A 17 5.988 -11.687 4.354 1.00 0.00 C ATOM 220 C GLN A 17 6.139 -10.311 3.703 1.00 0.00 C ATOM 221 O GLN A 17 5.717 -9.303 4.269 1.00 0.00 O ATOM 222 CB GLN A 17 7.352 -12.267 4.735 1.00 0.00 C ATOM 223 CG GLN A 17 7.308 -12.904 6.125 1.00 0.00 C ATOM 224 CD GLN A 17 8.290 -12.216 7.075 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.275 -11.623 6.668 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.968 -12.328 8.360 1.00 0.00 N ATOM 0 H GLN A 17 5.614 -13.546 3.461 1.00 0.00 H new ATOM 0 HA GLN A 17 5.411 -11.572 5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.653 -13.012 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.105 -11.479 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.298 -12.835 6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.550 -13.964 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.128 -12.839 8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.561 -11.903 9.073 1.00 0.00 H new ATOM 235 N THR A 18 6.743 -10.312 2.524 1.00 0.00 N ATOM 236 CA THR A 18 6.956 -9.076 1.790 1.00 0.00 C ATOM 237 C THR A 18 5.636 -8.319 1.628 1.00 0.00 C ATOM 238 O THR A 18 5.573 -7.115 1.870 1.00 0.00 O ATOM 239 CB THR A 18 7.624 -9.425 0.459 1.00 0.00 C ATOM 240 OG1 THR A 18 8.726 -10.250 0.830 1.00 0.00 O ATOM 241 CG2 THR A 18 8.275 -8.210 -0.206 1.00 0.00 C ATOM 0 H THR A 18 7.092 -11.150 2.058 1.00 0.00 H new ATOM 0 HA THR A 18 7.617 -8.401 2.334 1.00 0.00 H new ATOM 0 HB THR A 18 6.885 -9.855 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.730 -11.059 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.734 -8.513 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.517 -7.452 -0.400 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.038 -7.799 0.455 1.00 0.00 H new ATOM 249 N CYS A 19 4.615 -9.056 1.218 1.00 0.00 N ATOM 250 CA CYS A 19 3.300 -8.469 1.019 1.00 0.00 C ATOM 251 C CYS A 19 2.883 -7.776 2.318 1.00 0.00 C ATOM 252 O CYS A 19 2.452 -6.624 2.300 1.00 0.00 O ATOM 253 CB CYS A 19 2.275 -9.515 0.575 1.00 0.00 C ATOM 254 SG CYS A 19 2.467 -9.860 -1.212 1.00 0.00 S ATOM 0 H CYS A 19 4.671 -10.055 1.018 1.00 0.00 H new ATOM 0 HA CYS A 19 3.344 -7.735 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.409 -10.433 1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.266 -9.157 0.778 1.00 0.00 H new ATOM 0 HG CYS A 19 3.428 -10.718 -1.388 1.00 0.00 H new ATOM 260 N SER A 20 3.025 -8.508 3.414 1.00 0.00 N ATOM 261 CA SER A 20 2.668 -7.978 4.719 1.00 0.00 C ATOM 262 C SER A 20 3.271 -6.584 4.900 1.00 0.00 C ATOM 263 O SER A 20 2.583 -5.656 5.322 1.00 0.00 O ATOM 264 CB SER A 20 3.137 -8.909 5.838 1.00 0.00 C ATOM 265 OG SER A 20 2.604 -8.532 7.105 1.00 0.00 O ATOM 0 H SER A 20 3.382 -9.463 3.425 1.00 0.00 H new ATOM 0 HA SER A 20 1.582 -7.907 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.837 -9.931 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.226 -8.899 5.885 1.00 0.00 H new ATOM 0 HG SER A 20 2.926 -9.152 7.793 1.00 0.00 H new ATOM 271 N GLY A 21 4.551 -6.480 4.572 1.00 0.00 N ATOM 272 CA GLY A 21 5.254 -5.214 4.694 1.00 0.00 C ATOM 273 C GLY A 21 4.574 -4.127 3.860 1.00 0.00 C ATOM 274 O GLY A 21 4.173 -3.092 4.391 1.00 0.00 O ATOM 0 H GLY A 21 5.119 -7.252 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.283 -4.910 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.287 -5.335 4.368 1.00 0.00 H new ATOM 278 N ASN A 22 4.465 -4.398 2.568 1.00 0.00 N ATOM 279 CA ASN A 22 3.840 -3.455 1.655 1.00 0.00 C ATOM 280 C ASN A 22 2.601 -2.853 2.321 1.00 0.00 C ATOM 281 O ASN A 22 2.512 -1.638 2.492 1.00 0.00 O ATOM 282 CB ASN A 22 3.395 -4.149 0.366 1.00 0.00 C ATOM 283 CG ASN A 22 4.552 -4.250 -0.630 1.00 0.00 C ATOM 284 OD1 ASN A 22 4.795 -3.363 -1.430 1.00 0.00 O ATOM 285 ND2 ASN A 22 5.249 -5.379 -0.535 1.00 0.00 N ATOM 0 H ASN A 22 4.799 -5.257 2.131 1.00 0.00 H new ATOM 0 HA ASN A 22 4.571 -2.683 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.021 -5.146 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.571 -3.595 -0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.042 -5.543 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.991 -6.081 0.159 1.00 0.00 H new ATOM 292 N ILE A 23 1.675 -3.731 2.678 1.00 0.00 N ATOM 293 CA ILE A 23 0.444 -3.301 3.321 1.00 0.00 C ATOM 294 C ILE A 23 0.777 -2.315 4.442 1.00 0.00 C ATOM 295 O ILE A 23 0.358 -1.159 4.401 1.00 0.00 O ATOM 296 CB ILE A 23 -0.367 -4.511 3.788 1.00 0.00 C ATOM 297 CG1 ILE A 23 -0.810 -5.367 2.598 1.00 0.00 C ATOM 298 CG2 ILE A 23 -1.551 -4.077 4.653 1.00 0.00 C ATOM 299 CD1 ILE A 23 -1.695 -6.527 3.057 1.00 0.00 C ATOM 0 H ILE A 23 1.752 -4.738 2.534 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.193 -2.774 2.611 1.00 0.00 H new ATOM 0 HB ILE A 23 0.276 -5.133 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.355 -4.749 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.066 -5.756 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.111 -4.956 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.185 -3.543 5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.203 -3.422 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.996 -7.119 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.139 -7.156 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.582 -6.134 3.554 1.00 0.00 H new ATOM 311 N GLN A 24 1.529 -2.807 5.416 1.00 0.00 N ATOM 312 CA GLN A 24 1.923 -1.983 6.546 1.00 0.00 C ATOM 313 C GLN A 24 2.289 -0.574 6.074 1.00 0.00 C ATOM 314 O GLN A 24 1.657 0.402 6.475 1.00 0.00 O ATOM 315 CB GLN A 24 3.082 -2.622 7.313 1.00 0.00 C ATOM 316 CG GLN A 24 2.628 -3.894 8.032 1.00 0.00 C ATOM 317 CD GLN A 24 2.601 -3.686 9.548 1.00 0.00 C ATOM 318 OE1 GLN A 24 3.600 -3.817 10.236 1.00 0.00 O ATOM 319 NE2 GLN A 24 1.405 -3.356 10.028 1.00 0.00 N ATOM 0 H GLN A 24 1.876 -3.766 5.446 1.00 0.00 H new ATOM 0 HA GLN A 24 1.076 -1.908 7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.892 -2.859 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.478 -1.912 8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.636 -4.179 7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.301 -4.715 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.610 -3.263 9.396 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.283 -3.196 11.028 1.00 0.00 H new ATOM 328 N ARG A 25 3.307 -0.514 5.228 1.00 0.00 N ATOM 329 CA ARG A 25 3.764 0.759 4.697 1.00 0.00 C ATOM 330 C ARG A 25 2.588 1.545 4.115 1.00 0.00 C ATOM 331 O ARG A 25 2.346 2.687 4.503 1.00 0.00 O ATOM 332 CB ARG A 25 4.820 0.555 3.609 1.00 0.00 C ATOM 333 CG ARG A 25 6.232 0.671 4.187 1.00 0.00 C ATOM 334 CD ARG A 25 6.978 -0.661 4.083 1.00 0.00 C ATOM 335 NE ARG A 25 8.117 -0.678 5.029 1.00 0.00 N ATOM 336 CZ ARG A 25 9.055 -1.634 5.058 1.00 0.00 C ATOM 337 NH1 ARG A 25 8.996 -2.657 4.194 1.00 0.00 N ATOM 338 NH2 ARG A 25 10.052 -1.568 5.951 1.00 0.00 N ATOM 0 H ARG A 25 3.828 -1.326 4.897 1.00 0.00 H new ATOM 0 HA ARG A 25 4.209 1.320 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.690 -0.425 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.684 1.296 2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.785 1.444 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.177 0.981 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.300 -1.485 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.338 -0.807 3.065 1.00 0.00 H new ATOM 0 HE ARG A 25 8.192 0.086 5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.237 -2.708 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.710 -3.385 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.097 -0.790 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.766 -2.296 5.973 1.00 0.00 H new ATOM 352 N ILE A 26 1.886 0.902 3.193 1.00 0.00 N ATOM 353 CA ILE A 26 0.741 1.526 2.553 1.00 0.00 C ATOM 354 C ILE A 26 -0.062 2.302 3.599 1.00 0.00 C ATOM 355 O ILE A 26 -0.309 3.496 3.437 1.00 0.00 O ATOM 356 CB ILE A 26 -0.083 0.484 1.795 1.00 0.00 C ATOM 357 CG1 ILE A 26 0.738 -0.153 0.672 1.00 0.00 C ATOM 358 CG2 ILE A 26 -1.390 1.089 1.277 1.00 0.00 C ATOM 359 CD1 ILE A 26 0.208 -1.547 0.328 1.00 0.00 C ATOM 0 H ILE A 26 2.089 -0.045 2.874 1.00 0.00 H new ATOM 0 HA ILE A 26 1.069 2.246 1.803 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.350 -0.312 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.704 0.482 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.783 -0.222 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.957 0.327 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.979 1.456 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.166 1.915 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.809 -1.977 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.266 -2.186 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.830 -1.472 0.003 1.00 0.00 H new ATOM 371 N SER A 27 -0.447 1.592 4.650 1.00 0.00 N ATOM 372 CA SER A 27 -1.216 2.200 5.722 1.00 0.00 C ATOM 373 C SER A 27 -0.382 3.275 6.421 1.00 0.00 C ATOM 374 O SER A 27 -0.884 4.356 6.724 1.00 0.00 O ATOM 375 CB SER A 27 -1.679 1.147 6.732 1.00 0.00 C ATOM 376 OG SER A 27 -0.582 0.523 7.393 1.00 0.00 O ATOM 0 H SER A 27 -0.241 0.602 4.781 1.00 0.00 H new ATOM 0 HA SER A 27 -2.102 2.663 5.287 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.329 1.615 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.272 0.389 6.220 1.00 0.00 H new ATOM 0 HG SER A 27 0.049 0.179 6.727 1.00 0.00 H new ATOM 382 N GLN A 28 0.878 2.941 6.656 1.00 0.00 N ATOM 383 CA GLN A 28 1.787 3.864 7.314 1.00 0.00 C ATOM 384 C GLN A 28 1.796 5.210 6.585 1.00 0.00 C ATOM 385 O GLN A 28 1.364 6.221 7.136 1.00 0.00 O ATOM 386 CB GLN A 28 3.198 3.278 7.399 1.00 0.00 C ATOM 387 CG GLN A 28 3.244 2.101 8.375 1.00 0.00 C ATOM 388 CD GLN A 28 4.507 2.152 9.237 1.00 0.00 C ATOM 389 OE1 GLN A 28 5.498 2.777 8.895 1.00 0.00 O ATOM 390 NE2 GLN A 28 4.417 1.462 10.371 1.00 0.00 N ATOM 0 H GLN A 28 1.291 2.044 6.402 1.00 0.00 H new ATOM 0 HA GLN A 28 1.434 4.026 8.333 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.519 2.949 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.897 4.050 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.362 2.120 9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.216 1.163 7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.558 0.961 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.207 1.434 11.015 1.00 0.00 H new ATOM 399 N ALA A 29 2.292 5.178 5.356 1.00 0.00 N ATOM 400 CA ALA A 29 2.363 6.382 4.546 1.00 0.00 C ATOM 401 C ALA A 29 1.011 7.097 4.585 1.00 0.00 C ATOM 402 O ALA A 29 0.955 8.323 4.665 1.00 0.00 O ATOM 403 CB ALA A 29 2.789 6.016 3.123 1.00 0.00 C ATOM 0 H ALA A 29 2.648 4.337 4.902 1.00 0.00 H new ATOM 0 HA ALA A 29 3.111 7.069 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.842 6.919 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.768 5.537 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.061 5.330 2.690 1.00 0.00 H new ATOM 409 N THR A 30 -0.046 6.300 4.525 1.00 0.00 N ATOM 410 CA THR A 30 -1.394 6.842 4.552 1.00 0.00 C ATOM 411 C THR A 30 -1.641 7.595 5.861 1.00 0.00 C ATOM 412 O THR A 30 -2.459 8.512 5.909 1.00 0.00 O ATOM 413 CB THR A 30 -2.372 5.688 4.321 1.00 0.00 C ATOM 414 OG1 THR A 30 -2.346 5.487 2.911 1.00 0.00 O ATOM 415 CG2 THR A 30 -3.821 6.081 4.615 1.00 0.00 C ATOM 0 H THR A 30 0.004 5.283 4.458 1.00 0.00 H new ATOM 0 HA THR A 30 -1.541 7.576 3.759 1.00 0.00 H new ATOM 0 HB THR A 30 -2.091 4.843 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.675 4.808 2.690 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.473 5.226 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.909 6.393 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.114 6.904 3.964 1.00 0.00 H new ATOM 423 N ALA A 31 -0.918 7.179 6.890 1.00 0.00 N ATOM 424 CA ALA A 31 -1.048 7.803 8.196 1.00 0.00 C ATOM 425 C ALA A 31 -0.228 9.094 8.224 1.00 0.00 C ATOM 426 O ALA A 31 -0.641 10.083 8.827 1.00 0.00 O ATOM 427 CB ALA A 31 -0.614 6.814 9.280 1.00 0.00 C ATOM 0 H ALA A 31 -0.240 6.418 6.846 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.087 8.068 8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.711 7.282 10.260 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.246 5.927 9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.425 6.528 9.116 1.00 0.00 H new ATOM 433 N GLN A 32 0.920 9.043 7.563 1.00 0.00 N ATOM 434 CA GLN A 32 1.801 10.197 7.504 1.00 0.00 C ATOM 435 C GLN A 32 1.099 11.366 6.811 1.00 0.00 C ATOM 436 O GLN A 32 1.270 12.519 7.206 1.00 0.00 O ATOM 437 CB GLN A 32 3.113 9.849 6.798 1.00 0.00 C ATOM 438 CG GLN A 32 4.177 9.406 7.805 1.00 0.00 C ATOM 439 CD GLN A 32 4.847 8.105 7.359 1.00 0.00 C ATOM 440 OE1 GLN A 32 3.993 7.120 7.094 1.00 0.00 O flip ATOM 441 NE2 GLN A 32 6.059 8.002 7.261 1.00 0.00 N flip ATOM 0 H GLN A 32 1.260 8.221 7.064 1.00 0.00 H new ATOM 0 HA GLN A 32 2.043 10.497 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.940 9.054 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.472 10.715 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.929 10.188 7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.720 9.266 8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.658 8.798 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.473 7.120 6.960 1.00 0.00 H new ATOM 450 N ILE A 33 0.325 11.029 5.790 1.00 0.00 N ATOM 451 CA ILE A 33 -0.403 12.037 5.039 1.00 0.00 C ATOM 452 C ILE A 33 -1.459 12.677 5.943 1.00 0.00 C ATOM 453 O ILE A 33 -1.605 13.898 5.964 1.00 0.00 O ATOM 454 CB ILE A 33 -0.976 11.437 3.753 1.00 0.00 C ATOM 455 CG1 ILE A 33 0.107 11.300 2.682 1.00 0.00 C ATOM 456 CG2 ILE A 33 -2.175 12.248 3.257 1.00 0.00 C ATOM 457 CD1 ILE A 33 0.215 9.855 2.192 1.00 0.00 C ATOM 0 H ILE A 33 0.186 10.072 5.465 1.00 0.00 H new ATOM 0 HA ILE A 33 0.269 12.834 4.720 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.337 10.433 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.122 11.956 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.066 11.623 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.563 11.801 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.954 12.249 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.863 13.273 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.992 9.786 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.468 9.205 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.739 9.543 1.766 1.00 0.00 H new ATOM 469 N LYS A 34 -2.168 11.823 6.666 1.00 0.00 N ATOM 470 CA LYS A 34 -3.206 12.290 7.570 1.00 0.00 C ATOM 471 C LYS A 34 -2.562 13.053 8.729 1.00 0.00 C ATOM 472 O LYS A 34 -3.146 13.999 9.255 1.00 0.00 O ATOM 473 CB LYS A 34 -4.091 11.125 8.017 1.00 0.00 C ATOM 474 CG LYS A 34 -5.194 10.850 6.993 1.00 0.00 C ATOM 475 CD LYS A 34 -6.148 9.764 7.493 1.00 0.00 C ATOM 476 CE LYS A 34 -7.369 9.643 6.578 1.00 0.00 C ATOM 477 NZ LYS A 34 -8.523 10.367 7.156 1.00 0.00 N ATOM 0 H LYS A 34 -2.045 10.811 6.645 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.870 12.987 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.482 10.231 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.537 11.353 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.751 11.767 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.748 10.541 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.626 8.808 7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.471 9.998 8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.135 10.047 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.624 8.592 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.343 10.275 6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.756 9.963 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.282 11.373 7.266 1.00 0.00 H new ATOM 491 N ASN A 35 -1.367 12.613 9.094 1.00 0.00 N ATOM 492 CA ASN A 35 -0.637 13.243 10.181 1.00 0.00 C ATOM 493 C ASN A 35 -0.037 14.562 9.690 1.00 0.00 C ATOM 494 O ASN A 35 -0.053 15.560 10.409 1.00 0.00 O ATOM 495 CB ASN A 35 0.510 12.352 10.663 1.00 0.00 C ATOM 496 CG ASN A 35 1.123 12.899 11.954 1.00 0.00 C ATOM 497 OD1 ASN A 35 0.682 12.607 13.053 1.00 0.00 O ATOM 498 ND2 ASN A 35 2.162 13.705 11.760 1.00 0.00 N ATOM 0 H ASN A 35 -0.886 11.827 8.656 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.334 13.410 11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.143 11.339 10.831 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.276 12.289 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.641 14.121 12.559 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.480 13.908 10.812 1.00 0.00 H new ATOM 505 N LEU A 36 0.477 14.524 8.470 1.00 0.00 N ATOM 506 CA LEU A 36 1.081 15.704 7.875 1.00 0.00 C ATOM 507 C LEU A 36 -0.022 16.628 7.353 1.00 0.00 C ATOM 508 O LEU A 36 0.234 17.788 7.035 1.00 0.00 O ATOM 509 CB LEU A 36 2.103 15.303 6.809 1.00 0.00 C ATOM 510 CG LEU A 36 3.339 14.556 7.313 1.00 0.00 C ATOM 511 CD1 LEU A 36 4.071 13.867 6.160 1.00 0.00 C ATOM 512 CD2 LEU A 36 4.261 15.490 8.100 1.00 0.00 C ATOM 0 H LEU A 36 0.488 13.694 7.877 1.00 0.00 H new ATOM 0 HA LEU A 36 1.640 16.265 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.601 14.678 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.433 16.205 6.293 1.00 0.00 H new ATOM 0 HG LEU A 36 3.010 13.775 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.946 13.343 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.403 13.152 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.387 14.614 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.132 14.934 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.585 16.308 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.723 15.894 8.958 1.00 0.00 H new ATOM 524 N MET A 37 -1.225 16.078 7.282 1.00 0.00 N ATOM 525 CA MET A 37 -2.368 16.838 6.804 1.00 0.00 C ATOM 526 C MET A 37 -2.635 18.048 7.702 1.00 0.00 C ATOM 527 O MET A 37 -2.498 19.191 7.266 1.00 0.00 O ATOM 528 CB MET A 37 -3.605 15.938 6.778 1.00 0.00 C ATOM 529 CG MET A 37 -4.368 16.094 5.461 1.00 0.00 C ATOM 530 SD MET A 37 -5.628 14.835 5.333 1.00 0.00 S ATOM 531 CE MET A 37 -4.794 13.670 4.268 1.00 0.00 C ATOM 0 H MET A 37 -1.433 15.115 7.547 1.00 0.00 H new ATOM 0 HA MET A 37 -2.148 17.197 5.798 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.305 14.898 6.908 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.259 16.188 7.613 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.824 17.083 5.410 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.679 16.017 4.620 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.429 13.440 3.413 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.857 14.103 3.918 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.586 12.755 4.822 1.00 0.00 H new ATOM 541 N SER A 38 -3.012 17.756 8.938 1.00 0.00 N ATOM 542 CA SER A 38 -3.299 18.806 9.900 1.00 0.00 C ATOM 543 C SER A 38 -2.105 19.756 10.011 1.00 0.00 C ATOM 544 O SER A 38 -2.277 20.949 10.258 1.00 0.00 O ATOM 545 CB SER A 38 -3.639 18.219 11.271 1.00 0.00 C ATOM 546 OG SER A 38 -4.951 17.662 11.303 1.00 0.00 O ATOM 0 H SER A 38 -3.125 16.807 9.295 1.00 0.00 H new ATOM 0 HA SER A 38 -4.167 19.364 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.912 17.448 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.557 18.998 12.029 1.00 0.00 H new ATOM 0 HG SER A 38 -5.129 17.296 12.194 1.00 0.00 H new ATOM 755 N ASN A 52 6.414 16.328 1.364 1.00 0.00 N ATOM 756 CA ASN A 52 6.471 15.176 2.247 1.00 0.00 C ATOM 757 C ASN A 52 5.291 14.249 1.947 1.00 0.00 C ATOM 758 O ASN A 52 5.418 13.029 2.032 1.00 0.00 O ATOM 759 CB ASN A 52 6.378 15.600 3.714 1.00 0.00 C ATOM 760 CG ASN A 52 7.305 14.755 4.590 1.00 0.00 C ATOM 761 OD1 ASN A 52 7.857 13.752 4.167 1.00 0.00 O ATOM 762 ND2 ASN A 52 7.444 15.213 5.830 1.00 0.00 N ATOM 0 HA ASN A 52 7.421 14.669 2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.642 16.653 3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.350 15.497 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.042 14.718 6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.953 16.059 6.119 1.00 0.00 H new ATOM 769 N LEU A 53 4.170 14.865 1.602 1.00 0.00 N ATOM 770 CA LEU A 53 2.968 14.111 1.289 1.00 0.00 C ATOM 771 C LEU A 53 3.197 13.304 0.009 1.00 0.00 C ATOM 772 O LEU A 53 3.108 12.077 0.020 1.00 0.00 O ATOM 773 CB LEU A 53 1.755 15.040 1.221 1.00 0.00 C ATOM 774 CG LEU A 53 1.600 16.027 2.380 1.00 0.00 C ATOM 775 CD1 LEU A 53 0.648 17.166 2.007 1.00 0.00 C ATOM 776 CD2 LEU A 53 1.163 15.309 3.658 1.00 0.00 C ATOM 0 H LEU A 53 4.069 15.878 1.532 1.00 0.00 H new ATOM 0 HA LEU A 53 2.749 13.397 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.808 15.607 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.855 14.427 1.169 1.00 0.00 H new ATOM 0 HG LEU A 53 2.574 16.474 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.556 17.853 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.042 17.701 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.332 16.756 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.060 16.034 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.206 14.816 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.911 14.565 3.931 1.00 0.00 H new ATOM 788 N GLN A 54 3.487 14.025 -1.064 1.00 0.00 N ATOM 789 CA GLN A 54 3.729 13.392 -2.349 1.00 0.00 C ATOM 790 C GLN A 54 4.702 12.222 -2.189 1.00 0.00 C ATOM 791 O GLN A 54 4.376 11.087 -2.534 1.00 0.00 O ATOM 792 CB GLN A 54 4.252 14.404 -3.370 1.00 0.00 C ATOM 793 CG GLN A 54 3.101 15.194 -3.997 1.00 0.00 C ATOM 794 CD GLN A 54 2.930 14.834 -5.474 1.00 0.00 C ATOM 795 OE1 GLN A 54 3.370 13.797 -5.942 1.00 0.00 O ATOM 796 NE2 GLN A 54 2.268 15.746 -6.180 1.00 0.00 N ATOM 0 H GLN A 54 3.560 15.042 -1.070 1.00 0.00 H new ATOM 0 HA GLN A 54 2.782 13.004 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.947 15.090 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.809 13.885 -4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.176 14.986 -3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.293 16.263 -3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.926 16.593 -5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.102 15.598 -7.176 1.00 0.00 H new ATOM 805 N GLN A 55 5.877 12.539 -1.665 1.00 0.00 N ATOM 806 CA GLN A 55 6.900 11.528 -1.455 1.00 0.00 C ATOM 807 C GLN A 55 6.297 10.296 -0.777 1.00 0.00 C ATOM 808 O GLN A 55 6.576 9.166 -1.174 1.00 0.00 O ATOM 809 CB GLN A 55 8.065 12.089 -0.638 1.00 0.00 C ATOM 810 CG GLN A 55 9.370 12.033 -1.435 1.00 0.00 C ATOM 811 CD GLN A 55 10.250 10.872 -0.965 1.00 0.00 C ATOM 812 OE1 GLN A 55 9.934 10.160 -0.026 1.00 0.00 O ATOM 813 NE2 GLN A 55 11.368 10.721 -1.670 1.00 0.00 N ATOM 0 H GLN A 55 6.144 13.481 -1.380 1.00 0.00 H new ATOM 0 HA GLN A 55 7.292 11.228 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.852 13.120 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.174 11.520 0.285 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.148 11.919 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.910 12.973 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.572 11.353 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.021 9.974 -1.436 1.00 0.00 H new ATOM 822 N LEU A 56 5.482 10.556 0.235 1.00 0.00 N ATOM 823 CA LEU A 56 4.838 9.483 0.973 1.00 0.00 C ATOM 824 C LEU A 56 3.781 8.823 0.085 1.00 0.00 C ATOM 825 O LEU A 56 3.696 7.597 0.021 1.00 0.00 O ATOM 826 CB LEU A 56 4.288 10.001 2.303 1.00 0.00 C ATOM 827 CG LEU A 56 5.301 10.137 3.441 1.00 0.00 C ATOM 828 CD1 LEU A 56 4.909 11.269 4.392 1.00 0.00 C ATOM 829 CD2 LEU A 56 5.481 8.807 4.176 1.00 0.00 C ATOM 0 H LEU A 56 5.253 11.495 0.561 1.00 0.00 H new ATOM 0 HA LEU A 56 5.563 8.712 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.833 10.976 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.492 9.331 2.630 1.00 0.00 H new ATOM 0 HG LEU A 56 6.267 10.400 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.646 11.344 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.873 12.210 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.929 11.061 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.206 8.931 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.526 8.490 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.840 8.051 3.478 1.00 0.00 H new ATOM 841 N GLN A 57 3.002 9.665 -0.578 1.00 0.00 N ATOM 842 CA GLN A 57 1.954 9.178 -1.459 1.00 0.00 C ATOM 843 C GLN A 57 2.546 8.265 -2.535 1.00 0.00 C ATOM 844 O GLN A 57 2.139 7.112 -2.667 1.00 0.00 O ATOM 845 CB GLN A 57 1.185 10.341 -2.090 1.00 0.00 C ATOM 846 CG GLN A 57 0.115 10.873 -1.135 1.00 0.00 C ATOM 847 CD GLN A 57 -0.810 11.863 -1.845 1.00 0.00 C ATOM 848 OE1 GLN A 57 -0.662 13.124 -1.447 1.00 0.00 O flip ATOM 849 NE2 GLN A 57 -1.607 11.507 -2.698 1.00 0.00 N flip ATOM 0 H GLN A 57 3.075 10.681 -0.523 1.00 0.00 H new ATOM 0 HA GLN A 57 1.248 8.597 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.878 11.142 -2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.718 10.012 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.470 10.043 -0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.591 11.361 -0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.670 10.523 -2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.210 12.194 -3.151 1.00 0.00 H new ATOM 858 N HIS A 58 3.497 8.815 -3.275 1.00 0.00 N ATOM 859 CA HIS A 58 4.149 8.064 -4.334 1.00 0.00 C ATOM 860 C HIS A 58 4.692 6.748 -3.771 1.00 0.00 C ATOM 861 O HIS A 58 4.396 5.676 -4.295 1.00 0.00 O ATOM 862 CB HIS A 58 5.229 8.908 -5.013 1.00 0.00 C ATOM 863 CG HIS A 58 5.799 8.285 -6.265 1.00 0.00 C ATOM 864 ND1 HIS A 58 6.235 9.035 -7.344 1.00 0.00 N ATOM 865 CD2 HIS A 58 5.999 6.978 -6.599 1.00 0.00 C ATOM 866 CE1 HIS A 58 6.676 8.205 -8.279 1.00 0.00 C ATOM 867 NE2 HIS A 58 6.528 6.931 -7.815 1.00 0.00 N ATOM 0 H HIS A 58 3.832 9.772 -3.162 1.00 0.00 H new ATOM 0 HA HIS A 58 3.423 7.816 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.810 9.883 -5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.039 9.081 -4.305 1.00 0.00 H new ATOM 0 HD1 HIS A 58 6.220 10.053 -7.409 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.766 6.125 -5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.081 8.488 -9.239 1.00 0.00 H new ATOM 875 N SER A 59 5.477 6.874 -2.712 1.00 0.00 N ATOM 876 CA SER A 59 6.064 5.709 -2.072 1.00 0.00 C ATOM 877 C SER A 59 5.050 4.564 -2.039 1.00 0.00 C ATOM 878 O SER A 59 5.302 3.490 -2.582 1.00 0.00 O ATOM 879 CB SER A 59 6.539 6.039 -0.656 1.00 0.00 C ATOM 880 OG SER A 59 7.918 5.731 -0.470 1.00 0.00 O ATOM 0 H SER A 59 5.721 7.766 -2.280 1.00 0.00 H new ATOM 0 HA SER A 59 6.932 5.400 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.374 7.098 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.942 5.481 0.066 1.00 0.00 H new ATOM 0 HG SER A 59 8.183 5.958 0.446 1.00 0.00 H new ATOM 886 N THR A 60 3.923 4.833 -1.395 1.00 0.00 N ATOM 887 CA THR A 60 2.869 3.838 -1.284 1.00 0.00 C ATOM 888 C THR A 60 2.443 3.356 -2.672 1.00 0.00 C ATOM 889 O THR A 60 2.300 2.156 -2.899 1.00 0.00 O ATOM 890 CB THR A 60 1.725 4.451 -0.475 1.00 0.00 C ATOM 891 OG1 THR A 60 2.302 4.711 0.802 1.00 0.00 O ATOM 892 CG2 THR A 60 0.610 3.445 -0.182 1.00 0.00 C ATOM 0 H THR A 60 3.717 5.725 -0.945 1.00 0.00 H new ATOM 0 HA THR A 60 3.217 2.949 -0.759 1.00 0.00 H new ATOM 0 HB THR A 60 1.313 5.302 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.474 3.863 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.177 3.932 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.197 3.076 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.015 2.610 0.389 1.00 0.00 H new ATOM 900 N ASN A 61 2.251 4.317 -3.564 1.00 0.00 N ATOM 901 CA ASN A 61 1.843 4.005 -4.923 1.00 0.00 C ATOM 902 C ASN A 61 2.636 2.796 -5.424 1.00 0.00 C ATOM 903 O ASN A 61 2.053 1.793 -5.832 1.00 0.00 O ATOM 904 CB ASN A 61 2.123 5.178 -5.865 1.00 0.00 C ATOM 905 CG ASN A 61 1.016 5.317 -6.912 1.00 0.00 C ATOM 906 OD1 ASN A 61 0.005 5.966 -6.701 1.00 0.00 O ATOM 907 ND2 ASN A 61 1.263 4.673 -8.049 1.00 0.00 N ATOM 0 H ASN A 61 2.370 5.312 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 61 0.773 3.797 -4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.202 6.100 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.082 5.029 -6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.585 4.704 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.130 4.148 -8.160 1.00 0.00 H new ATOM 914 N GLN A 62 3.953 2.932 -5.377 1.00 0.00 N ATOM 915 CA GLN A 62 4.832 1.863 -5.821 1.00 0.00 C ATOM 916 C GLN A 62 4.553 0.584 -5.030 1.00 0.00 C ATOM 917 O GLN A 62 4.154 -0.430 -5.602 1.00 0.00 O ATOM 918 CB GLN A 62 6.300 2.274 -5.700 1.00 0.00 C ATOM 919 CG GLN A 62 6.564 3.590 -6.436 1.00 0.00 C ATOM 920 CD GLN A 62 7.104 3.331 -7.844 1.00 0.00 C ATOM 921 OE1 GLN A 62 8.054 2.593 -8.047 1.00 0.00 O ATOM 922 NE2 GLN A 62 6.446 3.977 -8.803 1.00 0.00 N ATOM 0 H GLN A 62 4.433 3.766 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 62 4.630 1.667 -6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.566 2.382 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.936 1.490 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.642 4.168 -6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.279 4.189 -5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.659 4.580 -8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.729 3.869 -9.777 1.00 0.00 H new ATOM 931 N LEU A 63 4.775 0.672 -3.727 1.00 0.00 N ATOM 932 CA LEU A 63 4.553 -0.466 -2.851 1.00 0.00 C ATOM 933 C LEU A 63 3.295 -1.213 -3.301 1.00 0.00 C ATOM 934 O LEU A 63 3.346 -2.411 -3.577 1.00 0.00 O ATOM 935 CB LEU A 63 4.511 -0.017 -1.389 1.00 0.00 C ATOM 936 CG LEU A 63 5.867 0.153 -0.701 1.00 0.00 C ATOM 937 CD1 LEU A 63 5.761 1.106 0.491 1.00 0.00 C ATOM 938 CD2 LEU A 63 6.452 -1.203 -0.300 1.00 0.00 C ATOM 0 H LEU A 63 5.106 1.514 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 63 5.384 -1.168 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.977 0.932 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.927 -0.743 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 63 6.558 0.604 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.738 1.209 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.419 2.082 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.050 0.706 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.416 -1.054 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.771 -1.704 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.586 -1.819 -1.189 1.00 0.00 H new ATOM 950 N ALA A 64 2.197 -0.474 -3.361 1.00 0.00 N ATOM 951 CA ALA A 64 0.929 -1.052 -3.773 1.00 0.00 C ATOM 952 C ALA A 64 1.131 -1.850 -5.063 1.00 0.00 C ATOM 953 O ALA A 64 0.772 -3.024 -5.133 1.00 0.00 O ATOM 954 CB ALA A 64 -0.111 0.060 -3.933 1.00 0.00 C ATOM 0 H ALA A 64 2.159 0.519 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 64 0.557 -1.741 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.062 -0.373 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.240 0.577 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.227 0.769 -4.689 1.00 0.00 H new ATOM 960 N LYS A 65 1.706 -1.180 -6.051 1.00 0.00 N ATOM 961 CA LYS A 65 1.960 -1.812 -7.335 1.00 0.00 C ATOM 962 C LYS A 65 2.628 -3.169 -7.106 1.00 0.00 C ATOM 963 O LYS A 65 2.181 -4.183 -7.641 1.00 0.00 O ATOM 964 CB LYS A 65 2.762 -0.877 -8.243 1.00 0.00 C ATOM 965 CG LYS A 65 2.161 0.530 -8.249 1.00 0.00 C ATOM 966 CD LYS A 65 1.791 0.962 -9.669 1.00 0.00 C ATOM 967 CE LYS A 65 0.295 0.769 -9.929 1.00 0.00 C ATOM 968 NZ LYS A 65 -0.292 1.997 -10.511 1.00 0.00 N ATOM 0 H LYS A 65 2.003 -0.206 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 65 1.023 -2.001 -7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.797 -0.833 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.777 -1.274 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.274 0.553 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.875 1.236 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.057 2.009 -9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.367 0.383 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.143 -0.071 -10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.213 0.522 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.307 1.849 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.163 2.790 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.182 2.216 -11.411 1.00 0.00 H new ATOM 982 N GLU A 66 3.688 -3.145 -6.311 1.00 0.00 N ATOM 983 CA GLU A 66 4.422 -4.361 -6.005 1.00 0.00 C ATOM 984 C GLU A 66 3.495 -5.391 -5.355 1.00 0.00 C ATOM 985 O GLU A 66 3.515 -6.566 -5.719 1.00 0.00 O ATOM 986 CB GLU A 66 5.626 -4.064 -5.110 1.00 0.00 C ATOM 987 CG GLU A 66 6.608 -3.120 -5.806 1.00 0.00 C ATOM 988 CD GLU A 66 8.031 -3.324 -5.281 1.00 0.00 C ATOM 989 OE1 GLU A 66 8.642 -4.339 -5.679 1.00 0.00 O ATOM 990 OE2 GLU A 66 8.474 -2.460 -4.494 1.00 0.00 O ATOM 0 H GLU A 66 4.056 -2.302 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 66 4.800 -4.779 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.287 -3.617 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.131 -4.995 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.585 -3.294 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.301 -2.087 -5.644 1.00 0.00 H new ATOM 997 N THR A 67 2.706 -4.913 -4.404 1.00 0.00 N ATOM 998 CA THR A 67 1.775 -5.777 -3.700 1.00 0.00 C ATOM 999 C THR A 67 0.935 -6.580 -4.696 1.00 0.00 C ATOM 1000 O THR A 67 0.848 -7.803 -4.596 1.00 0.00 O ATOM 1001 CB THR A 67 0.937 -4.905 -2.762 1.00 0.00 C ATOM 1002 OG1 THR A 67 1.813 -3.840 -2.404 1.00 0.00 O ATOM 1003 CG2 THR A 67 0.632 -5.600 -1.433 1.00 0.00 C ATOM 0 H THR A 67 2.693 -3.938 -4.105 1.00 0.00 H new ATOM 0 HA THR A 67 2.301 -6.516 -3.096 1.00 0.00 H new ATOM 0 HB THR A 67 0.002 -4.637 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.878 -3.206 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.035 -4.938 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.077 -6.519 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.566 -5.838 -0.924 1.00 0.00 H new ATOM 1011 N ASN A 68 0.338 -5.859 -5.633 1.00 0.00 N ATOM 1012 CA ASN A 68 -0.492 -6.488 -6.646 1.00 0.00 C ATOM 1013 C ASN A 68 0.284 -7.636 -7.294 1.00 0.00 C ATOM 1014 O ASN A 68 -0.131 -8.792 -7.219 1.00 0.00 O ATOM 1015 CB ASN A 68 -0.869 -5.493 -7.746 1.00 0.00 C ATOM 1016 CG ASN A 68 -2.171 -5.906 -8.436 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -2.474 -7.077 -8.596 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -2.920 -4.883 -8.836 1.00 0.00 N ATOM 0 H ASN A 68 0.413 -4.845 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.399 -6.850 -6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.980 -4.497 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.066 -5.436 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.808 -5.055 -9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.607 -3.926 -8.670 1.00 0.00 H new ATOM 1025 N GLU A 69 1.398 -7.278 -7.917 1.00 0.00 N ATOM 1026 CA GLU A 69 2.236 -8.264 -8.577 1.00 0.00 C ATOM 1027 C GLU A 69 2.520 -9.436 -7.636 1.00 0.00 C ATOM 1028 O GLU A 69 2.226 -10.585 -7.962 1.00 0.00 O ATOM 1029 CB GLU A 69 3.538 -7.632 -9.075 1.00 0.00 C ATOM 1030 CG GLU A 69 3.332 -6.942 -10.424 1.00 0.00 C ATOM 1031 CD GLU A 69 4.632 -6.914 -11.230 1.00 0.00 C ATOM 1032 OE1 GLU A 69 5.466 -6.033 -10.931 1.00 0.00 O ATOM 1033 OE2 GLU A 69 4.762 -7.775 -12.127 1.00 0.00 O ATOM 0 H GLU A 69 1.739 -6.319 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 69 1.699 -8.644 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.898 -6.908 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.306 -8.400 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.561 -7.464 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.976 -5.924 -10.265 1.00 0.00 H new ATOM 1040 N LEU A 70 3.089 -9.105 -6.486 1.00 0.00 N ATOM 1041 CA LEU A 70 3.416 -10.116 -5.494 1.00 0.00 C ATOM 1042 C LEU A 70 2.188 -10.994 -5.243 1.00 0.00 C ATOM 1043 O LEU A 70 2.302 -12.215 -5.154 1.00 0.00 O ATOM 1044 CB LEU A 70 3.975 -9.463 -4.228 1.00 0.00 C ATOM 1045 CG LEU A 70 5.453 -9.070 -4.273 1.00 0.00 C ATOM 1046 CD1 LEU A 70 5.848 -8.281 -3.023 1.00 0.00 C ATOM 1047 CD2 LEU A 70 6.341 -10.298 -4.480 1.00 0.00 C ATOM 0 H LEU A 70 3.332 -8.151 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 70 4.206 -10.770 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.388 -8.570 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.827 -10.149 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 70 5.606 -8.414 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.903 -8.014 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.247 -7.374 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.676 -8.892 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.386 -9.991 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.191 -10.998 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.080 -10.782 -5.421 1.00 0.00 H new ATOM 1059 N LEU A 71 1.043 -10.337 -5.136 1.00 0.00 N ATOM 1060 CA LEU A 71 -0.205 -11.043 -4.897 1.00 0.00 C ATOM 1061 C LEU A 71 -0.564 -11.868 -6.135 1.00 0.00 C ATOM 1062 O LEU A 71 -1.344 -12.815 -6.048 1.00 0.00 O ATOM 1063 CB LEU A 71 -1.301 -10.064 -4.471 1.00 0.00 C ATOM 1064 CG LEU A 71 -1.182 -9.500 -3.054 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -2.168 -8.349 -2.838 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -1.351 -10.603 -2.008 1.00 0.00 C ATOM 0 H LEU A 71 0.953 -9.324 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.095 -11.742 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.309 -9.230 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.264 -10.566 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.178 -9.092 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.063 -7.966 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.958 -7.551 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.186 -8.709 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.262 -10.174 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.333 -11.063 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.579 -11.359 -2.149 1.00 0.00 H new ATOM 1078 N LYS A 72 0.021 -11.478 -7.257 1.00 0.00 N ATOM 1079 CA LYS A 72 -0.228 -12.169 -8.511 1.00 0.00 C ATOM 1080 C LYS A 72 0.668 -13.407 -8.591 1.00 0.00 C ATOM 1081 O LYS A 72 0.427 -14.300 -9.402 1.00 0.00 O ATOM 1082 CB LYS A 72 -0.062 -11.212 -9.693 1.00 0.00 C ATOM 1083 CG LYS A 72 -1.368 -10.471 -9.985 1.00 0.00 C ATOM 1084 CD LYS A 72 -1.187 -9.471 -11.129 1.00 0.00 C ATOM 1085 CE LYS A 72 -1.261 -10.174 -12.487 1.00 0.00 C ATOM 1086 NZ LYS A 72 -1.735 -9.236 -13.530 1.00 0.00 N ATOM 0 H LYS A 72 0.667 -10.692 -7.325 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.260 -12.517 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.728 -10.493 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.249 -11.770 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.147 -11.188 -10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.701 -9.948 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.958 -8.702 -11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.226 -8.967 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.279 -10.561 -12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.934 -11.029 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.780 -9.728 -14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.682 -8.886 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.077 -8.434 -13.600 1.00 0.00 H new ATOM 1100 N GLU A 73 1.683 -13.421 -7.740 1.00 0.00 N ATOM 1101 CA GLU A 73 2.616 -14.534 -7.705 1.00 0.00 C ATOM 1102 C GLU A 73 2.171 -15.566 -6.666 1.00 0.00 C ATOM 1103 O GLU A 73 2.255 -16.770 -6.907 1.00 0.00 O ATOM 1104 CB GLU A 73 4.039 -14.049 -7.421 1.00 0.00 C ATOM 1105 CG GLU A 73 4.210 -12.584 -7.828 1.00 0.00 C ATOM 1106 CD GLU A 73 3.902 -12.389 -9.315 1.00 0.00 C ATOM 1107 OE1 GLU A 73 3.181 -13.250 -9.863 1.00 0.00 O ATOM 1108 OE2 GLU A 73 4.396 -11.383 -9.869 1.00 0.00 O ATOM 0 H GLU A 73 1.880 -12.679 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 73 2.619 -15.011 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.261 -14.164 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.753 -14.667 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.548 -11.957 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.230 -12.261 -7.619 1.00 0.00 H new ATOM 1115 N LEU A 74 1.709 -15.058 -5.534 1.00 0.00 N ATOM 1116 CA LEU A 74 1.251 -15.921 -4.458 1.00 0.00 C ATOM 1117 C LEU A 74 0.329 -16.998 -5.031 1.00 0.00 C ATOM 1118 O LEU A 74 0.706 -18.167 -5.107 1.00 0.00 O ATOM 1119 CB LEU A 74 0.610 -15.092 -3.343 1.00 0.00 C ATOM 1120 CG LEU A 74 1.297 -15.160 -1.977 1.00 0.00 C ATOM 1121 CD1 LEU A 74 0.867 -13.990 -1.089 1.00 0.00 C ATOM 1122 CD2 LEU A 74 1.048 -16.511 -1.305 1.00 0.00 C ATOM 0 H LEU A 74 1.642 -14.059 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 74 2.094 -16.436 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.582 -14.050 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.424 -15.417 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 74 2.372 -15.070 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.369 -14.062 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.137 -13.050 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.212 -14.024 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.547 -16.533 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.023 -16.656 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.443 -17.309 -1.934 1.00 0.00 H new ATOM 1134 N GLY A 75 -0.861 -16.567 -5.421 1.00 0.00 N ATOM 1135 CA GLY A 75 -1.840 -17.481 -5.986 1.00 0.00 C ATOM 1136 C GLY A 75 -1.232 -18.298 -7.127 1.00 0.00 C ATOM 1137 O GLY A 75 -1.615 -19.447 -7.345 1.00 0.00 O ATOM 0 H GLY A 75 -1.170 -15.597 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.207 -18.152 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.698 -16.919 -6.354 1.00 0.00 H new ATOM 1141 N SER A 76 -0.296 -17.674 -7.827 1.00 0.00 N ATOM 1142 CA SER A 76 0.368 -18.329 -8.941 1.00 0.00 C ATOM 1143 C SER A 76 1.054 -19.610 -8.461 1.00 0.00 C ATOM 1144 O SER A 76 0.982 -20.643 -9.123 1.00 0.00 O ATOM 1145 CB SER A 76 1.386 -17.397 -9.601 1.00 0.00 C ATOM 1146 OG SER A 76 1.445 -17.585 -11.012 1.00 0.00 O ATOM 0 H SER A 76 0.018 -16.721 -7.644 1.00 0.00 H new ATOM 0 HA SER A 76 -0.386 -18.585 -9.686 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.124 -16.362 -9.384 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.372 -17.573 -9.170 1.00 0.00 H new ATOM 0 HG SER A 76 2.105 -16.971 -11.397 1.00 0.00 H new ATOM 1152 N LEU A 77 1.705 -19.499 -7.312 1.00 0.00 N ATOM 1153 CA LEU A 77 2.404 -20.635 -6.736 1.00 0.00 C ATOM 1154 C LEU A 77 1.506 -21.872 -6.808 1.00 0.00 C ATOM 1155 O LEU A 77 0.282 -21.753 -6.843 1.00 0.00 O ATOM 1156 CB LEU A 77 2.885 -20.307 -5.320 1.00 0.00 C ATOM 1157 CG LEU A 77 3.815 -19.099 -5.191 1.00 0.00 C ATOM 1158 CD1 LEU A 77 4.061 -18.750 -3.722 1.00 0.00 C ATOM 1159 CD2 LEU A 77 5.123 -19.331 -5.952 1.00 0.00 C ATOM 0 H LEU A 77 1.763 -18.640 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 77 3.303 -20.859 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.011 -20.137 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.400 -21.181 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 77 3.324 -18.240 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.725 -17.888 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.112 -18.513 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.521 -19.600 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.766 -18.458 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.629 -20.207 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.906 -19.494 -7.008 1.00 0.00 H new ATOM 1171 N PRO A 78 2.166 -23.061 -6.830 1.00 0.00 N ATOM 1172 CA PRO A 78 1.440 -24.318 -6.898 1.00 0.00 C ATOM 1173 C PRO A 78 0.802 -24.657 -5.549 1.00 0.00 C ATOM 1174 O PRO A 78 1.097 -24.017 -4.541 1.00 0.00 O ATOM 1175 CB PRO A 78 2.471 -25.343 -7.342 1.00 0.00 C ATOM 1176 CG PRO A 78 3.828 -24.720 -7.058 1.00 0.00 C ATOM 1177 CD PRO A 78 3.614 -23.239 -6.790 1.00 0.00 C ATOM 0 HA PRO A 78 0.604 -24.284 -7.597 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.350 -26.280 -6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.361 -25.573 -8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.296 -25.200 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.498 -24.862 -7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.022 -22.949 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.109 -22.625 -7.542 1.00 0.00 H new ATOM 1185 N LEU A 79 -0.060 -25.662 -5.575 1.00 0.00 N ATOM 1186 CA LEU A 79 -0.742 -26.094 -4.366 1.00 0.00 C ATOM 1187 C LEU A 79 -0.074 -27.364 -3.835 1.00 0.00 C ATOM 1188 O LEU A 79 0.432 -28.174 -4.610 1.00 0.00 O ATOM 1189 CB LEU A 79 -2.242 -26.249 -4.624 1.00 0.00 C ATOM 1190 CG LEU A 79 -2.966 -25.005 -5.142 1.00 0.00 C ATOM 1191 CD1 LEU A 79 -4.155 -24.650 -4.247 1.00 0.00 C ATOM 1192 CD2 LEU A 79 -1.996 -23.832 -5.298 1.00 0.00 C ATOM 0 H LEU A 79 -0.302 -26.190 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.653 -25.337 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.385 -27.055 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.720 -26.563 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.364 -25.228 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.652 -23.762 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.859 -25.482 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.802 -24.453 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.536 -22.960 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.548 -23.599 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.212 -24.100 -6.006 1.00 0.00 H new ATOM 1204 N PRO A 80 -0.095 -27.502 -2.482 1.00 0.00 N ATOM 1205 CA PRO A 80 0.501 -28.659 -1.838 1.00 0.00 C ATOM 1206 C PRO A 80 -0.379 -29.898 -2.013 1.00 0.00 C ATOM 1207 O PRO A 80 -1.570 -29.783 -2.297 1.00 0.00 O ATOM 1208 CB PRO A 80 0.676 -28.254 -0.384 1.00 0.00 C ATOM 1209 CG PRO A 80 -0.250 -27.068 -0.168 1.00 0.00 C ATOM 1210 CD PRO A 80 -0.686 -26.562 -1.533 1.00 0.00 C ATOM 0 HA PRO A 80 1.459 -28.938 -2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.420 -29.076 0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.711 -27.984 -0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.116 -27.363 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.261 -26.280 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.772 -26.542 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.333 -25.546 -1.710 1.00 0.00 H new ATOM 1218 N LEU A 81 0.241 -31.056 -1.835 1.00 0.00 N ATOM 1219 CA LEU A 81 -0.471 -32.315 -1.969 1.00 0.00 C ATOM 1220 C LEU A 81 -1.529 -32.417 -0.868 1.00 0.00 C ATOM 1221 O LEU A 81 -2.568 -33.048 -1.057 1.00 0.00 O ATOM 1222 CB LEU A 81 0.512 -33.487 -1.988 1.00 0.00 C ATOM 1223 CG LEU A 81 1.207 -33.757 -3.324 1.00 0.00 C ATOM 1224 CD1 LEU A 81 0.480 -34.849 -4.110 1.00 0.00 C ATOM 1225 CD2 LEU A 81 1.355 -32.469 -4.136 1.00 0.00 C ATOM 0 H LEU A 81 1.229 -31.148 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.998 -32.356 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.277 -33.306 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.023 -34.389 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 81 2.212 -34.124 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.995 -35.021 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.471 -35.771 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.545 -34.534 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.852 -32.690 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.369 -32.049 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.949 -31.750 -3.572 1.00 0.00 H new ATOM 1237 N SER A 82 -1.227 -31.788 0.258 1.00 0.00 N ATOM 1238 CA SER A 82 -2.139 -31.800 1.390 1.00 0.00 C ATOM 1239 C SER A 82 -3.129 -30.639 1.277 1.00 0.00 C ATOM 1240 O SER A 82 -2.793 -29.581 0.747 1.00 0.00 O ATOM 1241 CB SER A 82 -1.376 -31.720 2.713 1.00 0.00 C ATOM 1242 OG SER A 82 -0.993 -33.008 3.187 1.00 0.00 O ATOM 0 H SER A 82 -0.364 -31.267 0.411 1.00 0.00 H new ATOM 0 HA SER A 82 -2.689 -32.741 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.487 -31.103 2.582 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.998 -31.229 3.461 1.00 0.00 H new ATOM 0 HG SER A 82 -0.507 -32.914 4.033 1.00 0.00 H new ATOM 1248 N THR A 83 -4.330 -30.876 1.784 1.00 0.00 N ATOM 1249 CA THR A 83 -5.371 -29.863 1.747 1.00 0.00 C ATOM 1250 C THR A 83 -5.217 -28.897 2.923 1.00 0.00 C ATOM 1251 O THR A 83 -5.386 -27.689 2.766 1.00 0.00 O ATOM 1252 CB THR A 83 -6.724 -30.576 1.719 1.00 0.00 C ATOM 1253 OG1 THR A 83 -6.660 -31.396 0.555 1.00 0.00 O ATOM 1254 CG2 THR A 83 -7.884 -29.619 1.437 1.00 0.00 C ATOM 0 H THR A 83 -4.605 -31.755 2.223 1.00 0.00 H new ATOM 0 HA THR A 83 -5.293 -29.248 0.850 1.00 0.00 H new ATOM 0 HB THR A 83 -6.890 -31.077 2.673 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.498 -31.896 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.821 -30.176 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.923 -28.856 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.736 -29.143 0.468 1.00 0.00 H new ATOM 1262 N SER A 84 -4.899 -29.466 4.077 1.00 0.00 N ATOM 1263 CA SER A 84 -4.721 -28.670 5.280 1.00 0.00 C ATOM 1264 C SER A 84 -3.860 -27.443 4.973 1.00 0.00 C ATOM 1265 O SER A 84 -4.012 -26.400 5.606 1.00 0.00 O ATOM 1266 CB SER A 84 -4.085 -29.498 6.398 1.00 0.00 C ATOM 1267 OG SER A 84 -5.022 -29.822 7.422 1.00 0.00 O ATOM 0 H SER A 84 -4.760 -30.468 4.204 1.00 0.00 H new ATOM 0 HA SER A 84 -5.703 -28.341 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.673 -30.416 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.252 -28.944 6.831 1.00 0.00 H new ATOM 0 HG SER A 84 -4.578 -30.352 8.116 1.00 0.00 H new ATOM 1273 N GLU A 85 -2.975 -27.609 4.000 1.00 0.00 N ATOM 1274 CA GLU A 85 -2.091 -26.527 3.602 1.00 0.00 C ATOM 1275 C GLU A 85 -2.774 -25.639 2.560 1.00 0.00 C ATOM 1276 O GLU A 85 -2.616 -24.419 2.579 1.00 0.00 O ATOM 1277 CB GLU A 85 -0.763 -27.072 3.072 1.00 0.00 C ATOM 1278 CG GLU A 85 0.110 -27.595 4.214 1.00 0.00 C ATOM 1279 CD GLU A 85 0.283 -26.534 5.302 1.00 0.00 C ATOM 1280 OE1 GLU A 85 0.719 -25.418 4.943 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -0.024 -26.861 6.469 1.00 0.00 O ATOM 0 H GLU A 85 -2.852 -28.476 3.476 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.873 -25.920 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.954 -27.874 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.232 -26.286 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.342 -28.489 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.086 -27.886 3.826 1.00 0.00 H new ATOM 1288 N GLN A 86 -3.519 -26.285 1.675 1.00 0.00 N ATOM 1289 CA GLN A 86 -4.227 -25.569 0.628 1.00 0.00 C ATOM 1290 C GLN A 86 -5.052 -24.429 1.228 1.00 0.00 C ATOM 1291 O GLN A 86 -4.952 -23.286 0.787 1.00 0.00 O ATOM 1292 CB GLN A 86 -5.111 -26.518 -0.184 1.00 0.00 C ATOM 1293 CG GLN A 86 -4.264 -27.432 -1.071 1.00 0.00 C ATOM 1294 CD GLN A 86 -5.070 -28.648 -1.533 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -6.225 -28.551 -1.914 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -4.399 -29.795 -1.478 1.00 0.00 N ATOM 0 H GLN A 86 -3.648 -27.297 1.662 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.492 -25.139 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.719 -27.121 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.799 -25.941 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.909 -26.876 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.383 -27.763 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.434 -29.806 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.850 -30.664 -1.765 1.00 0.00 H new ATOM 1305 N ARG A 87 -5.849 -24.781 2.227 1.00 0.00 N ATOM 1306 CA ARG A 87 -6.692 -23.802 2.892 1.00 0.00 C ATOM 1307 C ARG A 87 -5.831 -22.722 3.551 1.00 0.00 C ATOM 1308 O ARG A 87 -6.035 -21.532 3.316 1.00 0.00 O ATOM 1309 CB ARG A 87 -7.570 -24.463 3.956 1.00 0.00 C ATOM 1310 CG ARG A 87 -9.018 -24.583 3.475 1.00 0.00 C ATOM 1311 CD ARG A 87 -9.271 -25.948 2.831 1.00 0.00 C ATOM 1312 NE ARG A 87 -10.720 -26.250 2.839 1.00 0.00 N ATOM 1313 CZ ARG A 87 -11.423 -26.528 3.944 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -10.816 -26.546 5.138 1.00 0.00 N ATOM 1315 NH2 ARG A 87 -12.735 -26.791 3.856 1.00 0.00 N ATOM 0 H ARG A 87 -5.928 -25.730 2.592 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.335 -23.350 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.178 -25.452 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.536 -23.879 4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.697 -24.442 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.233 -23.792 2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.896 -25.952 1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.727 -26.722 3.373 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.214 -26.246 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.818 -26.348 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.352 -26.758 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.198 -26.779 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.270 -27.003 4.698 1.00 0.00 H new ATOM 1329 N GLN A 88 -4.887 -23.176 4.363 1.00 0.00 N ATOM 1330 CA GLN A 88 -3.995 -22.263 5.057 1.00 0.00 C ATOM 1331 C GLN A 88 -3.315 -21.323 4.059 1.00 0.00 C ATOM 1332 O GLN A 88 -3.008 -20.179 4.389 1.00 0.00 O ATOM 1333 CB GLN A 88 -2.959 -23.030 5.881 1.00 0.00 C ATOM 1334 CG GLN A 88 -3.612 -23.712 7.085 1.00 0.00 C ATOM 1335 CD GLN A 88 -4.183 -22.679 8.058 1.00 0.00 C ATOM 1336 OE1 GLN A 88 -3.777 -21.529 8.091 1.00 0.00 O ATOM 1337 NE2 GLN A 88 -5.146 -23.150 8.845 1.00 0.00 N ATOM 0 H GLN A 88 -4.721 -24.164 4.556 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.587 -21.662 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.472 -23.778 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.182 -22.346 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.408 -24.375 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.878 -24.333 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.439 -24.124 8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.592 -22.537 9.528 1.00 0.00 H new ATOM 1346 N GLN A 89 -3.100 -21.842 2.859 1.00 0.00 N ATOM 1347 CA GLN A 89 -2.462 -21.063 1.811 1.00 0.00 C ATOM 1348 C GLN A 89 -3.426 -20.002 1.277 1.00 0.00 C ATOM 1349 O GLN A 89 -3.208 -18.807 1.469 1.00 0.00 O ATOM 1350 CB GLN A 89 -1.963 -21.968 0.683 1.00 0.00 C ATOM 1351 CG GLN A 89 -0.460 -22.225 0.811 1.00 0.00 C ATOM 1352 CD GLN A 89 0.081 -22.939 -0.430 1.00 0.00 C ATOM 1353 OE1 GLN A 89 -0.473 -22.862 -1.514 1.00 0.00 O ATOM 1354 NE2 GLN A 89 1.193 -23.636 -0.210 1.00 0.00 N ATOM 0 H GLN A 89 -3.356 -22.792 2.589 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.596 -20.557 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.501 -22.916 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -2.176 -21.505 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.064 -21.279 0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.265 -22.829 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.605 -23.658 0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.633 -24.148 -0.974 1.00 0.00 H new ATOM 1363 N ARG A 90 -4.472 -20.477 0.616 1.00 0.00 N ATOM 1364 CA ARG A 90 -5.470 -19.584 0.053 1.00 0.00 C ATOM 1365 C ARG A 90 -5.980 -18.616 1.123 1.00 0.00 C ATOM 1366 O ARG A 90 -6.275 -17.459 0.828 1.00 0.00 O ATOM 1367 CB ARG A 90 -6.652 -20.369 -0.519 1.00 0.00 C ATOM 1368 CG ARG A 90 -7.387 -21.134 0.582 1.00 0.00 C ATOM 1369 CD ARG A 90 -8.391 -22.123 -0.013 1.00 0.00 C ATOM 1370 NE ARG A 90 -9.747 -21.845 0.510 1.00 0.00 N ATOM 1371 CZ ARG A 90 -10.587 -20.945 -0.019 1.00 0.00 C ATOM 1372 NH1 ARG A 90 -10.215 -20.231 -1.090 1.00 0.00 N ATOM 1373 NH2 ARG A 90 -11.799 -20.759 0.522 1.00 0.00 N ATOM 0 H ARG A 90 -4.650 -21.469 0.458 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.996 -19.024 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.342 -19.685 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.297 -21.067 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.667 -21.670 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.906 -20.431 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.389 -22.046 -1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.099 -23.144 0.235 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.062 -22.372 1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.293 -20.373 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.854 -19.546 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.083 -21.303 1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.438 -20.074 0.119 1.00 0.00 H new ATOM 1387 N LEU A 91 -6.069 -19.126 2.343 1.00 0.00 N ATOM 1388 CA LEU A 91 -6.539 -18.321 3.457 1.00 0.00 C ATOM 1389 C LEU A 91 -5.581 -17.148 3.673 1.00 0.00 C ATOM 1390 O LEU A 91 -6.010 -15.999 3.762 1.00 0.00 O ATOM 1391 CB LEU A 91 -6.736 -19.191 4.701 1.00 0.00 C ATOM 1392 CG LEU A 91 -7.965 -20.102 4.694 1.00 0.00 C ATOM 1393 CD1 LEU A 91 -7.867 -21.163 5.792 1.00 0.00 C ATOM 1394 CD2 LEU A 91 -9.254 -19.285 4.799 1.00 0.00 C ATOM 0 H LEU A 91 -5.824 -20.086 2.584 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.518 -17.897 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.849 -19.811 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.798 -18.537 5.571 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.995 -20.628 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.753 -21.797 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.979 -21.773 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.799 -20.675 6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.112 -19.957 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.248 -18.714 5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.321 -18.601 3.953 1.00 0.00 H new ATOM 1406 N GLN A 92 -4.300 -17.478 3.751 1.00 0.00 N ATOM 1407 CA GLN A 92 -3.277 -16.466 3.955 1.00 0.00 C ATOM 1408 C GLN A 92 -3.425 -15.347 2.922 1.00 0.00 C ATOM 1409 O GLN A 92 -3.491 -14.172 3.280 1.00 0.00 O ATOM 1410 CB GLN A 92 -1.878 -17.082 3.900 1.00 0.00 C ATOM 1411 CG GLN A 92 -1.604 -17.933 5.142 1.00 0.00 C ATOM 1412 CD GLN A 92 -0.598 -17.244 6.068 1.00 0.00 C ATOM 1413 OE1 GLN A 92 -0.787 -15.933 6.191 1.00 0.00 O flip ATOM 1414 NE2 GLN A 92 0.289 -17.862 6.632 1.00 0.00 N flip ATOM 0 H GLN A 92 -3.947 -18.432 3.677 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.410 -16.037 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.783 -17.697 3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.131 -16.291 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.536 -18.110 5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.219 -18.908 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.377 -18.869 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.943 -17.372 7.243 1.00 0.00 H new ATOM 1423 N LYS A 93 -3.471 -15.751 1.661 1.00 0.00 N ATOM 1424 CA LYS A 93 -3.609 -14.797 0.574 1.00 0.00 C ATOM 1425 C LYS A 93 -4.905 -14.005 0.759 1.00 0.00 C ATOM 1426 O LYS A 93 -4.893 -12.775 0.737 1.00 0.00 O ATOM 1427 CB LYS A 93 -3.509 -15.507 -0.777 1.00 0.00 C ATOM 1428 CG LYS A 93 -2.515 -14.796 -1.698 1.00 0.00 C ATOM 1429 CD LYS A 93 -2.872 -15.020 -3.168 1.00 0.00 C ATOM 1430 CE LYS A 93 -4.257 -14.453 -3.488 1.00 0.00 C ATOM 1431 NZ LYS A 93 -5.233 -15.549 -3.683 1.00 0.00 N ATOM 0 H LYS A 93 -3.415 -16.726 1.368 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.790 -14.078 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.196 -16.540 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.491 -15.537 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.512 -13.728 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.507 -15.164 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.125 -14.545 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.851 -16.086 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.587 -13.804 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.206 -13.839 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.166 -15.249 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.298 -15.780 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.921 -16.390 -3.156 1.00 0.00 H new ATOM 1445 N GLU A 94 -5.992 -14.742 0.935 1.00 0.00 N ATOM 1446 CA GLU A 94 -7.293 -14.124 1.123 1.00 0.00 C ATOM 1447 C GLU A 94 -7.190 -12.961 2.112 1.00 0.00 C ATOM 1448 O GLU A 94 -7.813 -11.918 1.916 1.00 0.00 O ATOM 1449 CB GLU A 94 -8.326 -15.151 1.590 1.00 0.00 C ATOM 1450 CG GLU A 94 -8.832 -15.993 0.417 1.00 0.00 C ATOM 1451 CD GLU A 94 -9.979 -15.288 -0.309 1.00 0.00 C ATOM 1452 OE1 GLU A 94 -10.990 -15.003 0.369 1.00 0.00 O ATOM 1453 OE2 GLU A 94 -9.820 -15.049 -1.526 1.00 0.00 O ATOM 0 H GLU A 94 -5.998 -15.762 0.951 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.629 -13.731 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.882 -15.801 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.164 -14.640 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.015 -16.179 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.169 -16.964 0.780 1.00 0.00 H new ATOM 1460 N ARG A 95 -6.400 -13.179 3.153 1.00 0.00 N ATOM 1461 CA ARG A 95 -6.208 -12.162 4.173 1.00 0.00 C ATOM 1462 C ARG A 95 -5.311 -11.041 3.643 1.00 0.00 C ATOM 1463 O ARG A 95 -5.546 -9.868 3.926 1.00 0.00 O ATOM 1464 CB ARG A 95 -5.577 -12.758 5.433 1.00 0.00 C ATOM 1465 CG ARG A 95 -5.139 -11.657 6.400 1.00 0.00 C ATOM 1466 CD ARG A 95 -5.738 -11.877 7.790 1.00 0.00 C ATOM 1467 NE ARG A 95 -5.163 -13.095 8.403 1.00 0.00 N ATOM 1468 CZ ARG A 95 -5.779 -14.285 8.429 1.00 0.00 C ATOM 1469 NH1 ARG A 95 -6.992 -14.424 7.878 1.00 0.00 N ATOM 1470 NH2 ARG A 95 -5.181 -15.336 9.007 1.00 0.00 N ATOM 0 H ARG A 95 -5.885 -14.045 3.312 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.188 -11.758 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.292 -13.416 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -4.717 -13.370 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.051 -11.639 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.450 -10.686 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.537 -11.012 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.821 -11.974 7.717 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.240 -13.024 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.447 -13.624 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.460 -15.330 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.257 -15.230 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.649 -16.242 9.027 1.00 0.00 H new ATOM 1484 N LEU A 96 -4.303 -11.443 2.883 1.00 0.00 N ATOM 1485 CA LEU A 96 -3.370 -10.488 2.311 1.00 0.00 C ATOM 1486 C LEU A 96 -4.138 -9.488 1.444 1.00 0.00 C ATOM 1487 O LEU A 96 -3.839 -8.295 1.452 1.00 0.00 O ATOM 1488 CB LEU A 96 -2.249 -11.214 1.565 1.00 0.00 C ATOM 1489 CG LEU A 96 -1.254 -11.985 2.435 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -0.304 -12.819 1.574 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -0.499 -11.040 3.372 1.00 0.00 C ATOM 0 H LEU A 96 -4.112 -12.418 2.650 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.879 -9.917 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.701 -11.911 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.696 -10.481 0.978 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.814 -12.680 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.393 -13.357 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.879 -13.533 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.253 -12.162 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.202 -11.613 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.049 -10.304 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.209 -10.529 4.022 1.00 0.00 H new ATOM 1503 N MET A 97 -5.114 -10.012 0.716 1.00 0.00 N ATOM 1504 CA MET A 97 -5.927 -9.180 -0.155 1.00 0.00 C ATOM 1505 C MET A 97 -6.778 -8.203 0.658 1.00 0.00 C ATOM 1506 O MET A 97 -6.703 -6.992 0.457 1.00 0.00 O ATOM 1507 CB MET A 97 -6.839 -10.068 -1.004 1.00 0.00 C ATOM 1508 CG MET A 97 -6.039 -11.174 -1.695 1.00 0.00 C ATOM 1509 SD MET A 97 -6.483 -11.261 -3.422 1.00 0.00 S ATOM 1510 CE MET A 97 -6.238 -9.556 -3.891 1.00 0.00 C ATOM 0 H MET A 97 -5.360 -11.002 0.712 1.00 0.00 H new ATOM 0 HA MET A 97 -5.263 -8.604 -0.800 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.610 -10.511 -0.374 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.349 -9.461 -1.752 1.00 0.00 H new ATOM 0 HG2 MET A 97 -4.971 -10.979 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.234 -12.131 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.963 -9.504 -4.944 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.160 -8.998 -3.729 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.441 -9.123 -3.286 1.00 0.00 H new ATOM 1520 N ASN A 98 -7.569 -8.766 1.560 1.00 0.00 N ATOM 1521 CA ASN A 98 -8.434 -7.960 2.404 1.00 0.00 C ATOM 1522 C ASN A 98 -7.594 -6.904 3.126 1.00 0.00 C ATOM 1523 O ASN A 98 -7.809 -5.706 2.947 1.00 0.00 O ATOM 1524 CB ASN A 98 -9.125 -8.819 3.465 1.00 0.00 C ATOM 1525 CG ASN A 98 -10.641 -8.827 3.261 1.00 0.00 C ATOM 1526 OD1 ASN A 98 -11.404 -8.316 4.065 1.00 0.00 O ATOM 1527 ND2 ASN A 98 -11.034 -9.433 2.144 1.00 0.00 N ATOM 0 H ASN A 98 -7.629 -9.771 1.724 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.188 -7.496 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.743 -9.839 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.890 -8.436 4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.027 -9.491 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.343 -9.840 1.514 1.00 0.00 H new ATOM 1534 N ASP A 99 -6.655 -7.386 3.926 1.00 0.00 N ATOM 1535 CA ASP A 99 -5.782 -6.498 4.676 1.00 0.00 C ATOM 1536 C ASP A 99 -5.240 -5.415 3.741 1.00 0.00 C ATOM 1537 O ASP A 99 -5.267 -4.231 4.075 1.00 0.00 O ATOM 1538 CB ASP A 99 -4.590 -7.260 5.258 1.00 0.00 C ATOM 1539 CG ASP A 99 -4.839 -7.905 6.623 1.00 0.00 C ATOM 1540 OD1 ASP A 99 -5.584 -7.288 7.415 1.00 0.00 O ATOM 1541 OD2 ASP A 99 -4.279 -9.000 6.844 1.00 0.00 O ATOM 0 H ASP A 99 -6.479 -8.380 4.072 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.362 -6.061 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.296 -8.038 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.747 -6.574 5.345 1.00 0.00 H new ATOM 1546 N PHE A 100 -4.760 -5.859 2.588 1.00 0.00 N ATOM 1547 CA PHE A 100 -4.212 -4.942 1.603 1.00 0.00 C ATOM 1548 C PHE A 100 -5.266 -3.928 1.153 1.00 0.00 C ATOM 1549 O PHE A 100 -4.967 -2.745 0.997 1.00 0.00 O ATOM 1550 CB PHE A 100 -3.783 -5.783 0.399 1.00 0.00 C ATOM 1551 CG PHE A 100 -3.485 -4.963 -0.858 1.00 0.00 C ATOM 1552 CD1 PHE A 100 -2.418 -4.120 -0.882 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -4.287 -5.077 -1.950 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -2.141 -3.360 -2.049 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -4.010 -4.317 -3.117 1.00 0.00 C ATOM 1556 CZ PHE A 100 -2.943 -3.474 -3.142 1.00 0.00 C ATOM 0 H PHE A 100 -4.739 -6.841 2.314 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.376 -4.390 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.895 -6.355 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.570 -6.503 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.782 -4.029 -0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.135 -5.746 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.293 -2.691 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.647 -4.408 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.732 -2.895 -4.029 1.00 0.00 H new ATOM 1566 N SER A 101 -6.477 -4.428 0.956 1.00 0.00 N ATOM 1567 CA SER A 101 -7.576 -3.580 0.527 1.00 0.00 C ATOM 1568 C SER A 101 -7.870 -2.524 1.594 1.00 0.00 C ATOM 1569 O SER A 101 -7.845 -1.328 1.312 1.00 0.00 O ATOM 1570 CB SER A 101 -8.830 -4.408 0.239 1.00 0.00 C ATOM 1571 OG SER A 101 -10.005 -3.798 0.765 1.00 0.00 O ATOM 0 H SER A 101 -6.721 -5.410 1.086 1.00 0.00 H new ATOM 0 HA SER A 101 -7.283 -3.081 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.940 -4.537 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.714 -5.403 0.669 1.00 0.00 H new ATOM 0 HG SER A 101 -10.784 -4.356 0.559 1.00 0.00 H new ATOM 1577 N ALA A 102 -8.143 -3.006 2.798 1.00 0.00 N ATOM 1578 CA ALA A 102 -8.442 -2.118 3.909 1.00 0.00 C ATOM 1579 C ALA A 102 -7.399 -1.001 3.958 1.00 0.00 C ATOM 1580 O ALA A 102 -7.729 0.151 4.237 1.00 0.00 O ATOM 1581 CB ALA A 102 -8.494 -2.925 5.207 1.00 0.00 C ATOM 0 H ALA A 102 -8.163 -3.999 3.028 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.418 -1.651 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.718 -2.259 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.271 -3.686 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.530 -3.406 5.376 1.00 0.00 H new ATOM 1587 N ALA A 103 -6.159 -1.379 3.682 1.00 0.00 N ATOM 1588 CA ALA A 103 -5.065 -0.423 3.692 1.00 0.00 C ATOM 1589 C ALA A 103 -5.143 0.447 2.436 1.00 0.00 C ATOM 1590 O ALA A 103 -4.887 1.649 2.493 1.00 0.00 O ATOM 1591 CB ALA A 103 -3.735 -1.171 3.801 1.00 0.00 C ATOM 0 H ALA A 103 -5.888 -2.335 3.450 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.140 0.237 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.914 -0.454 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.718 -1.751 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.624 -1.841 2.949 1.00 0.00 H new ATOM 1597 N LEU A 104 -5.497 -0.194 1.332 1.00 0.00 N ATOM 1598 CA LEU A 104 -5.612 0.507 0.064 1.00 0.00 C ATOM 1599 C LEU A 104 -6.686 1.590 0.180 1.00 0.00 C ATOM 1600 O LEU A 104 -6.395 2.776 0.037 1.00 0.00 O ATOM 1601 CB LEU A 104 -5.858 -0.484 -1.076 1.00 0.00 C ATOM 1602 CG LEU A 104 -6.465 0.101 -2.353 1.00 0.00 C ATOM 1603 CD1 LEU A 104 -5.410 0.857 -3.164 1.00 0.00 C ATOM 1604 CD2 LEU A 104 -7.153 -0.987 -3.181 1.00 0.00 C ATOM 0 H LEU A 104 -5.708 -1.191 1.289 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.676 1.011 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.909 -0.956 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.518 -1.271 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.231 0.822 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.867 1.263 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.005 1.672 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.606 0.175 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.576 -0.545 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.424 -1.749 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.949 -1.443 -2.593 1.00 0.00 H new ATOM 1616 N ASN A 105 -7.906 1.143 0.439 1.00 0.00 N ATOM 1617 CA ASN A 105 -9.026 2.059 0.577 1.00 0.00 C ATOM 1618 C ASN A 105 -8.580 3.286 1.375 1.00 0.00 C ATOM 1619 O ASN A 105 -8.878 4.418 0.997 1.00 0.00 O ATOM 1620 CB ASN A 105 -10.186 1.403 1.327 1.00 0.00 C ATOM 1621 CG ASN A 105 -11.522 2.034 0.932 1.00 0.00 C ATOM 1622 OD1 ASN A 105 -11.609 3.201 0.587 1.00 0.00 O ATOM 1623 ND2 ASN A 105 -12.556 1.201 1.002 1.00 0.00 N ATOM 0 H ASN A 105 -8.144 0.158 0.557 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.357 2.340 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.206 0.335 1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.034 1.507 2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.491 1.527 0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.414 0.235 1.299 1.00 0.00 H new ATOM 1630 N ASN A 106 -7.874 3.019 2.463 1.00 0.00 N ATOM 1631 CA ASN A 106 -7.384 4.088 3.318 1.00 0.00 C ATOM 1632 C ASN A 106 -6.673 5.136 2.460 1.00 0.00 C ATOM 1633 O ASN A 106 -7.062 6.302 2.449 1.00 0.00 O ATOM 1634 CB ASN A 106 -6.381 3.557 4.344 1.00 0.00 C ATOM 1635 CG ASN A 106 -6.839 3.868 5.770 1.00 0.00 C ATOM 1636 OD1 ASN A 106 -7.239 4.974 6.094 1.00 0.00 O ATOM 1637 ND2 ASN A 106 -6.758 2.833 6.602 1.00 0.00 N ATOM 0 H ASN A 106 -7.629 2.079 2.773 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.238 4.521 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.266 2.480 4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.403 4.004 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.040 2.939 7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.414 1.934 6.265 1.00 0.00 H new ATOM 1644 N PHE A 107 -5.642 4.682 1.762 1.00 0.00 N ATOM 1645 CA PHE A 107 -4.873 5.566 0.903 1.00 0.00 C ATOM 1646 C PHE A 107 -5.790 6.354 -0.035 1.00 0.00 C ATOM 1647 O PHE A 107 -5.664 7.572 -0.152 1.00 0.00 O ATOM 1648 CB PHE A 107 -3.946 4.681 0.066 1.00 0.00 C ATOM 1649 CG PHE A 107 -2.841 5.450 -0.661 1.00 0.00 C ATOM 1650 CD1 PHE A 107 -2.209 6.482 -0.040 1.00 0.00 C ATOM 1651 CD2 PHE A 107 -2.489 5.101 -1.928 1.00 0.00 C ATOM 1652 CE1 PHE A 107 -1.183 7.196 -0.714 1.00 0.00 C ATOM 1653 CE2 PHE A 107 -1.463 5.815 -2.602 1.00 0.00 C ATOM 1654 CZ PHE A 107 -0.832 6.847 -1.981 1.00 0.00 C ATOM 0 H PHE A 107 -5.322 3.714 1.774 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.316 6.281 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.488 3.935 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.542 4.141 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.488 6.759 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.990 4.281 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.682 8.016 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.184 5.538 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.052 7.390 -2.494 1.00 0.00 H new ATOM 1664 N GLN A 108 -6.691 5.627 -0.679 1.00 0.00 N ATOM 1665 CA GLN A 108 -7.628 6.244 -1.602 1.00 0.00 C ATOM 1666 C GLN A 108 -8.396 7.369 -0.906 1.00 0.00 C ATOM 1667 O GLN A 108 -8.368 8.514 -1.354 1.00 0.00 O ATOM 1668 CB GLN A 108 -8.588 5.204 -2.185 1.00 0.00 C ATOM 1669 CG GLN A 108 -7.950 4.471 -3.366 1.00 0.00 C ATOM 1670 CD GLN A 108 -9.002 4.096 -4.412 1.00 0.00 C ATOM 1671 OE1 GLN A 108 -9.949 4.823 -4.666 1.00 0.00 O ATOM 1672 NE2 GLN A 108 -8.786 2.924 -5.002 1.00 0.00 N ATOM 0 H GLN A 108 -6.792 4.617 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.063 6.674 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.864 4.486 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.507 5.693 -2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.188 5.103 -3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.448 3.571 -3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.973 2.365 -4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.433 2.585 -5.714 1.00 0.00 H new ATOM 1681 N ALA A 109 -9.065 7.004 0.178 1.00 0.00 N ATOM 1682 CA ALA A 109 -9.840 7.969 0.940 1.00 0.00 C ATOM 1683 C ALA A 109 -8.934 9.131 1.353 1.00 0.00 C ATOM 1684 O ALA A 109 -9.417 10.222 1.652 1.00 0.00 O ATOM 1685 CB ALA A 109 -10.481 7.273 2.142 1.00 0.00 C ATOM 0 H ALA A 109 -9.086 6.053 0.547 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.647 8.380 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.062 7.996 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.136 6.475 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.702 6.851 2.776 1.00 0.00 H new ATOM 1691 N VAL A 110 -7.638 8.857 1.355 1.00 0.00 N ATOM 1692 CA VAL A 110 -6.661 9.867 1.726 1.00 0.00 C ATOM 1693 C VAL A 110 -6.248 10.653 0.480 1.00 0.00 C ATOM 1694 O VAL A 110 -5.919 11.835 0.569 1.00 0.00 O ATOM 1695 CB VAL A 110 -5.477 9.211 2.440 1.00 0.00 C ATOM 1696 CG1 VAL A 110 -4.281 10.164 2.506 1.00 0.00 C ATOM 1697 CG2 VAL A 110 -5.875 8.733 3.837 1.00 0.00 C ATOM 0 H VAL A 110 -7.242 7.951 1.106 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.094 10.578 2.429 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.178 8.337 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.453 9.674 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.974 10.433 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.563 11.064 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.015 8.271 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.213 9.583 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.681 8.004 3.756 1.00 0.00 H new ATOM 1707 N GLN A 111 -6.278 9.965 -0.651 1.00 0.00 N ATOM 1708 CA GLN A 111 -5.910 10.584 -1.914 1.00 0.00 C ATOM 1709 C GLN A 111 -6.971 11.604 -2.333 1.00 0.00 C ATOM 1710 O GLN A 111 -6.646 12.640 -2.911 1.00 0.00 O ATOM 1711 CB GLN A 111 -5.704 9.529 -3.002 1.00 0.00 C ATOM 1712 CG GLN A 111 -6.927 9.438 -3.917 1.00 0.00 C ATOM 1713 CD GLN A 111 -6.807 8.254 -4.878 1.00 0.00 C ATOM 1714 OE1 GLN A 111 -5.886 7.456 -4.809 1.00 0.00 O ATOM 1715 NE2 GLN A 111 -7.785 8.185 -5.776 1.00 0.00 N ATOM 0 H GLN A 111 -6.551 8.985 -0.720 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.964 11.107 -1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.822 9.778 -3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.517 8.559 -2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.829 9.332 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.030 10.363 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.526 8.886 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.795 7.431 -6.463 1.00 0.00 H new ATOM 1724 N ARG A 112 -8.217 11.276 -2.025 1.00 0.00 N ATOM 1725 CA ARG A 112 -9.327 12.150 -2.362 1.00 0.00 C ATOM 1726 C ARG A 112 -9.398 13.321 -1.379 1.00 0.00 C ATOM 1727 O ARG A 112 -9.808 14.421 -1.747 1.00 0.00 O ATOM 1728 CB ARG A 112 -10.654 11.391 -2.337 1.00 0.00 C ATOM 1729 CG ARG A 112 -11.026 10.984 -0.909 1.00 0.00 C ATOM 1730 CD ARG A 112 -12.015 11.979 -0.296 1.00 0.00 C ATOM 1731 NE ARG A 112 -13.332 11.857 -0.959 1.00 0.00 N ATOM 1732 CZ ARG A 112 -14.446 12.467 -0.534 1.00 0.00 C ATOM 1733 NH1 ARG A 112 -14.409 13.246 0.557 1.00 0.00 N ATOM 1734 NH2 ARG A 112 -15.598 12.300 -1.198 1.00 0.00 N ATOM 0 H ARG A 112 -8.482 10.416 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.157 12.527 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.442 12.015 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.581 10.503 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.464 9.986 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.127 10.934 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.118 11.791 0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.636 12.995 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.396 11.272 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.533 13.374 1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.257 13.711 0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.627 11.708 -2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.446 12.765 -0.873 1.00 0.00 H new ATOM 1748 N ARG A 113 -8.992 13.044 -0.149 1.00 0.00 N ATOM 1749 CA ARG A 113 -9.004 14.060 0.890 1.00 0.00 C ATOM 1750 C ARG A 113 -7.845 15.038 0.689 1.00 0.00 C ATOM 1751 O ARG A 113 -7.953 16.214 1.035 1.00 0.00 O ATOM 1752 CB ARG A 113 -8.896 13.429 2.279 1.00 0.00 C ATOM 1753 CG ARG A 113 -10.227 13.519 3.028 1.00 0.00 C ATOM 1754 CD ARG A 113 -10.056 14.241 4.366 1.00 0.00 C ATOM 1755 NE ARG A 113 -10.828 15.504 4.362 1.00 0.00 N ATOM 1756 CZ ARG A 113 -12.155 15.574 4.533 1.00 0.00 C ATOM 1757 NH1 ARG A 113 -12.866 14.454 4.722 1.00 0.00 N ATOM 1758 NH2 ARG A 113 -12.771 16.764 4.515 1.00 0.00 N ATOM 0 H ARG A 113 -8.653 12.130 0.152 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.951 14.595 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.597 12.385 2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.118 13.933 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.958 14.048 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.620 12.517 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.395 13.600 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.001 14.450 4.543 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.318 16.376 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.397 13.548 4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.876 14.507 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.230 17.616 4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.781 16.817 4.645 1.00 0.00 H new ATOM 1772 N VAL A 114 -6.762 14.517 0.132 1.00 0.00 N ATOM 1773 CA VAL A 114 -5.584 15.329 -0.118 1.00 0.00 C ATOM 1774 C VAL A 114 -5.906 16.369 -1.193 1.00 0.00 C ATOM 1775 O VAL A 114 -5.679 17.562 -0.995 1.00 0.00 O ATOM 1776 CB VAL A 114 -4.400 14.434 -0.489 1.00 0.00 C ATOM 1777 CG1 VAL A 114 -3.295 15.241 -1.174 1.00 0.00 C ATOM 1778 CG2 VAL A 114 -3.861 13.700 0.741 1.00 0.00 C ATOM 0 H VAL A 114 -6.676 13.542 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.295 15.870 0.783 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.755 13.685 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.466 14.581 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.687 15.696 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.944 16.022 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.020 13.071 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.530 14.427 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.648 13.079 1.168 1.00 0.00 H new ATOM 1788 N SER A 115 -6.430 15.880 -2.307 1.00 0.00 N ATOM 1789 CA SER A 115 -6.786 16.753 -3.413 1.00 0.00 C ATOM 1790 C SER A 115 -7.620 17.930 -2.903 1.00 0.00 C ATOM 1791 O SER A 115 -7.215 19.084 -3.034 1.00 0.00 O ATOM 1792 CB SER A 115 -7.552 15.988 -4.494 1.00 0.00 C ATOM 1793 OG SER A 115 -6.950 14.730 -4.786 1.00 0.00 O ATOM 0 H SER A 115 -6.617 14.890 -2.468 1.00 0.00 H new ATOM 0 HA SER A 115 -5.867 17.134 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.580 15.831 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.595 16.589 -5.402 1.00 0.00 H new ATOM 0 HG SER A 115 -7.097 14.115 -4.037 1.00 0.00 H new ATOM 1799 N GLU A 116 -8.768 17.597 -2.333 1.00 0.00 N ATOM 1800 CA GLU A 116 -9.663 18.612 -1.803 1.00 0.00 C ATOM 1801 C GLU A 116 -8.869 19.670 -1.034 1.00 0.00 C ATOM 1802 O GLU A 116 -9.085 20.867 -1.214 1.00 0.00 O ATOM 1803 CB GLU A 116 -10.741 17.985 -0.918 1.00 0.00 C ATOM 1804 CG GLU A 116 -11.957 17.567 -1.748 1.00 0.00 C ATOM 1805 CD GLU A 116 -12.642 16.342 -1.139 1.00 0.00 C ATOM 1806 OE1 GLU A 116 -13.189 16.493 -0.025 1.00 0.00 O ATOM 1807 OE2 GLU A 116 -12.603 15.283 -1.801 1.00 0.00 O ATOM 0 H GLU A 116 -9.100 16.638 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.165 19.099 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.333 17.116 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.047 18.697 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.665 18.394 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.646 17.344 -2.769 1.00 0.00 H new ATOM 1814 N LYS A 117 -7.966 19.189 -0.192 1.00 0.00 N ATOM 1815 CA LYS A 117 -7.138 20.078 0.606 1.00 0.00 C ATOM 1816 C LYS A 117 -6.387 21.036 -0.320 1.00 0.00 C ATOM 1817 O LYS A 117 -6.577 22.250 -0.252 1.00 0.00 O ATOM 1818 CB LYS A 117 -6.224 19.273 1.531 1.00 0.00 C ATOM 1819 CG LYS A 117 -5.397 20.199 2.426 1.00 0.00 C ATOM 1820 CD LYS A 117 -6.041 20.347 3.805 1.00 0.00 C ATOM 1821 CE LYS A 117 -4.976 20.468 4.897 1.00 0.00 C ATOM 1822 NZ LYS A 117 -5.551 21.080 6.116 1.00 0.00 N ATOM 0 H LYS A 117 -7.789 18.195 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.758 20.689 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.824 18.604 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.559 18.647 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.388 19.801 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.306 21.178 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.682 21.228 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.678 19.486 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.574 19.482 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.144 21.073 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -4.815 21.155 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.913 22.029 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.330 20.487 6.468 1.00 0.00 H new ATOM 1836 N GLU A 118 -5.548 20.455 -1.166 1.00 0.00 N ATOM 1837 CA GLU A 118 -4.767 21.242 -2.105 1.00 0.00 C ATOM 1838 C GLU A 118 -5.691 22.023 -3.041 1.00 0.00 C ATOM 1839 O GLU A 118 -5.251 22.943 -3.729 1.00 0.00 O ATOM 1840 CB GLU A 118 -3.806 20.354 -2.898 1.00 0.00 C ATOM 1841 CG GLU A 118 -2.517 20.103 -2.114 1.00 0.00 C ATOM 1842 CD GLU A 118 -1.517 21.241 -2.324 1.00 0.00 C ATOM 1843 OE1 GLU A 118 -1.934 22.405 -2.140 1.00 0.00 O ATOM 1844 OE2 GLU A 118 -0.357 20.922 -2.664 1.00 0.00 O ATOM 0 H GLU A 118 -5.392 19.448 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.168 21.956 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.288 19.403 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.570 20.828 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.746 20.006 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.072 19.160 -2.431 1.00 0.00 H new