USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 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= -1.02 X(o=-1,f=-1.3) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.0743 K(o=-1.1,f=-2.9) USER MOD Set 2.2: A 67 THR OG1 : rot 78:sc= -0.978! USER MOD Set 3.1: A 52 ASN : amide:sc= -2.49! C(o=-5!,f=-15!) USER MOD Set 3.2: A 55 GLN : amide:sc= -2.54! C(o=-5!,f=-6!) USER MOD Set 4.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 106 ASN : amide:sc= -0.442 K(o=-0.44,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 103:sc= 0.727 USER MOD Single : A 19 CYS SG : rot 67:sc= -1.53 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 28 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.36) USER MOD Single : A 30 THR OG1 : rot 93:sc= 0.215 USER MOD Single : A 32 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.64) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 37 MET CE :methyl -115:sc= -13.3! (180deg=-17.6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.309 K(o=-0.31,f=-3.1!) USER MOD Single : A 57 GLN : amide:sc= -1.79! K(o=-1.8!,f=-0.84) USER MOD Single : A 58 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-4.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 82:sc= -1.74! USER MOD Single : A 61 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.0936 K(o=-0.094,f=-1.4!) USER MOD Single : A 89 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.7!) USER MOD Single : A 92 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.56) USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= 1.14 (180deg=1.05) USER MOD Single : A 97 MET CE :methyl -130:sc= -0.0936 (180deg=-0.936) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot -81:sc= -2.98 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 108 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.4!) USER MOD Single : A 111 GLN : amide:sc= -0.104 K(o=-0.1,f=-2) USER MOD Single : A 115 SER OG : rot 78:sc= 0.976 USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.994) USER MOD ----------------------------------------------------------------- ATOM 126 N ASP A 11 9.584 -17.554 -2.552 1.00 0.00 N ATOM 127 CA ASP A 11 8.682 -18.557 -2.013 1.00 0.00 C ATOM 128 C ASP A 11 7.443 -17.867 -1.438 1.00 0.00 C ATOM 129 O ASP A 11 7.526 -16.741 -0.951 1.00 0.00 O ATOM 130 CB ASP A 11 9.348 -19.348 -0.885 1.00 0.00 C ATOM 131 CG ASP A 11 10.376 -20.385 -1.342 1.00 0.00 C ATOM 132 OD1 ASP A 11 10.528 -20.528 -2.575 1.00 0.00 O ATOM 133 OD2 ASP A 11 10.987 -21.010 -0.449 1.00 0.00 O ATOM 0 HA ASP A 11 8.413 -19.237 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.838 -18.646 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.573 -19.855 -0.311 1.00 0.00 H new ATOM 138 N PHE A 12 6.323 -18.572 -1.514 1.00 0.00 N ATOM 139 CA PHE A 12 5.069 -18.041 -1.008 1.00 0.00 C ATOM 140 C PHE A 12 5.298 -17.202 0.251 1.00 0.00 C ATOM 141 O PHE A 12 4.947 -16.023 0.288 1.00 0.00 O ATOM 142 CB PHE A 12 4.186 -19.239 -0.654 1.00 0.00 C ATOM 143 CG PHE A 12 2.755 -18.865 -0.267 1.00 0.00 C ATOM 144 CD1 PHE A 12 2.489 -18.392 0.981 1.00 0.00 C ATOM 145 CD2 PHE A 12 1.747 -19.005 -1.169 1.00 0.00 C ATOM 146 CE1 PHE A 12 1.161 -18.044 1.340 1.00 0.00 C ATOM 147 CE2 PHE A 12 0.418 -18.657 -0.810 1.00 0.00 C ATOM 148 CZ PHE A 12 0.153 -18.184 0.438 1.00 0.00 C ATOM 0 H PHE A 12 6.258 -19.506 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 12 4.605 -17.402 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.155 -19.919 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.644 -19.783 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.289 -18.281 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.957 -19.381 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.951 -17.668 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.382 -18.768 -1.527 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.858 -17.920 0.712 1.00 0.00 H new ATOM 158 N SER A 13 5.884 -17.842 1.252 1.00 0.00 N ATOM 159 CA SER A 13 6.163 -17.169 2.509 1.00 0.00 C ATOM 160 C SER A 13 6.978 -15.900 2.254 1.00 0.00 C ATOM 161 O SER A 13 6.688 -14.847 2.820 1.00 0.00 O ATOM 162 CB SER A 13 6.908 -18.093 3.475 1.00 0.00 C ATOM 163 OG SER A 13 6.076 -19.145 3.957 1.00 0.00 O ATOM 0 H SER A 13 6.173 -18.820 1.218 1.00 0.00 H new ATOM 0 HA SER A 13 5.213 -16.897 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.776 -18.519 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.281 -17.511 4.318 1.00 0.00 H new ATOM 0 HG SER A 13 6.589 -19.713 4.569 1.00 0.00 H new ATOM 169 N SER A 14 7.982 -16.041 1.401 1.00 0.00 N ATOM 170 CA SER A 14 8.841 -14.919 1.064 1.00 0.00 C ATOM 171 C SER A 14 8.013 -13.797 0.434 1.00 0.00 C ATOM 172 O SER A 14 8.355 -12.622 0.561 1.00 0.00 O ATOM 173 CB SER A 14 9.961 -15.348 0.114 1.00 0.00 C ATOM 174 OG SER A 14 10.929 -16.166 0.766 1.00 0.00 O ATOM 0 H SER A 14 8.220 -16.916 0.933 1.00 0.00 H new ATOM 0 HA SER A 14 9.300 -14.553 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.534 -15.893 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.449 -14.463 -0.294 1.00 0.00 H new ATOM 0 HG SER A 14 11.626 -16.421 0.126 1.00 0.00 H new ATOM 180 N ILE A 15 6.939 -14.198 -0.230 1.00 0.00 N ATOM 181 CA ILE A 15 6.060 -13.241 -0.879 1.00 0.00 C ATOM 182 C ILE A 15 5.030 -12.733 0.132 1.00 0.00 C ATOM 183 O ILE A 15 4.569 -11.597 0.036 1.00 0.00 O ATOM 184 CB ILE A 15 5.437 -13.853 -2.136 1.00 0.00 C ATOM 185 CG1 ILE A 15 6.498 -14.547 -2.992 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.658 -12.802 -2.929 1.00 0.00 C ATOM 187 CD1 ILE A 15 5.853 -15.510 -3.991 1.00 0.00 C ATOM 0 H ILE A 15 6.658 -15.173 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 15 6.626 -12.375 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 15 4.724 -14.617 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.084 -13.800 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.189 -15.093 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.226 -13.263 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.861 -12.394 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.332 -11.999 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.629 -15.990 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.288 -16.270 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.181 -14.957 -4.648 1.00 0.00 H new ATOM 199 N ILE A 16 4.700 -13.600 1.078 1.00 0.00 N ATOM 200 CA ILE A 16 3.734 -13.253 2.107 1.00 0.00 C ATOM 201 C ILE A 16 4.255 -12.059 2.908 1.00 0.00 C ATOM 202 O ILE A 16 3.678 -10.974 2.860 1.00 0.00 O ATOM 203 CB ILE A 16 3.405 -14.475 2.967 1.00 0.00 C ATOM 204 CG1 ILE A 16 2.647 -15.528 2.156 1.00 0.00 C ATOM 205 CG2 ILE A 16 2.644 -14.067 4.230 1.00 0.00 C ATOM 206 CD1 ILE A 16 1.138 -15.282 2.212 1.00 0.00 C ATOM 0 H ILE A 16 5.084 -14.542 1.154 1.00 0.00 H new ATOM 0 HA ILE A 16 2.790 -12.947 1.656 1.00 0.00 H new ATOM 0 HB ILE A 16 4.342 -14.929 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.984 -15.506 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.872 -16.522 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.422 -14.954 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.254 -13.381 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.712 -13.575 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.623 -16.044 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.800 -15.329 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.914 -14.297 1.801 1.00 0.00 H new ATOM 218 N GLN A 17 5.342 -12.299 3.628 1.00 0.00 N ATOM 219 CA GLN A 17 5.948 -11.257 4.439 1.00 0.00 C ATOM 220 C GLN A 17 5.954 -9.929 3.679 1.00 0.00 C ATOM 221 O GLN A 17 5.402 -8.937 4.151 1.00 0.00 O ATOM 222 CB GLN A 17 7.363 -11.649 4.869 1.00 0.00 C ATOM 223 CG GLN A 17 7.456 -11.786 6.390 1.00 0.00 C ATOM 224 CD GLN A 17 8.287 -10.652 6.993 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.427 -10.827 7.391 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.655 -9.483 7.036 1.00 0.00 N ATOM 0 H GLN A 17 5.818 -13.200 3.666 1.00 0.00 H new ATOM 0 HA GLN A 17 5.351 -11.134 5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.642 -12.591 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.073 -10.897 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.455 -11.777 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.905 -12.746 6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.700 -9.406 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.125 -8.663 7.419 1.00 0.00 H new ATOM 235 N THR A 18 6.586 -9.953 2.515 1.00 0.00 N ATOM 236 CA THR A 18 6.672 -8.764 1.685 1.00 0.00 C ATOM 237 C THR A 18 5.281 -8.164 1.467 1.00 0.00 C ATOM 238 O THR A 18 5.103 -6.950 1.559 1.00 0.00 O ATOM 239 CB THR A 18 7.380 -9.145 0.383 1.00 0.00 C ATOM 240 OG1 THR A 18 8.607 -9.728 0.813 1.00 0.00 O ATOM 241 CG2 THR A 18 7.812 -7.922 -0.429 1.00 0.00 C ATOM 0 H THR A 18 7.044 -10.778 2.127 1.00 0.00 H new ATOM 0 HA THR A 18 7.256 -7.983 2.173 1.00 0.00 H new ATOM 0 HB THR A 18 6.719 -9.766 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.549 -10.704 0.740 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.309 -8.249 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.935 -7.328 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.500 -7.317 0.162 1.00 0.00 H new ATOM 249 N CYS A 19 4.331 -9.042 1.182 1.00 0.00 N ATOM 250 CA CYS A 19 2.962 -8.615 0.950 1.00 0.00 C ATOM 251 C CYS A 19 2.452 -7.927 2.218 1.00 0.00 C ATOM 252 O CYS A 19 1.944 -6.808 2.160 1.00 0.00 O ATOM 253 CB CYS A 19 2.066 -9.785 0.537 1.00 0.00 C ATOM 254 SG CYS A 19 2.309 -10.162 -1.237 1.00 0.00 S ATOM 0 H CYS A 19 4.482 -10.048 1.106 1.00 0.00 H new ATOM 0 HA CYS A 19 2.935 -7.911 0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.299 -10.663 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.021 -9.538 0.725 1.00 0.00 H new ATOM 0 HG CYS A 19 3.514 -10.611 -1.424 1.00 0.00 H new ATOM 260 N SER A 20 2.606 -8.624 3.334 1.00 0.00 N ATOM 261 CA SER A 20 2.168 -8.094 4.614 1.00 0.00 C ATOM 262 C SER A 20 2.782 -6.712 4.846 1.00 0.00 C ATOM 263 O SER A 20 2.063 -5.723 4.981 1.00 0.00 O ATOM 264 CB SER A 20 2.540 -9.039 5.758 1.00 0.00 C ATOM 265 OG SER A 20 1.940 -8.647 6.990 1.00 0.00 O ATOM 0 H SER A 20 3.028 -9.551 3.378 1.00 0.00 H new ATOM 0 HA SER A 20 1.082 -8.003 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.226 -10.052 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.624 -9.060 5.873 1.00 0.00 H new ATOM 0 HG SER A 20 2.200 -9.276 7.695 1.00 0.00 H new ATOM 271 N GLY A 21 4.106 -6.687 4.886 1.00 0.00 N ATOM 272 CA GLY A 21 4.826 -5.443 5.099 1.00 0.00 C ATOM 273 C GLY A 21 4.265 -4.327 4.216 1.00 0.00 C ATOM 274 O GLY A 21 3.821 -3.296 4.720 1.00 0.00 O ATOM 0 H GLY A 21 4.699 -7.509 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.755 -5.153 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.884 -5.589 4.879 1.00 0.00 H new ATOM 278 N ASN A 22 4.302 -4.570 2.915 1.00 0.00 N ATOM 279 CA ASN A 22 3.803 -3.598 1.957 1.00 0.00 C ATOM 280 C ASN A 22 2.498 -2.997 2.481 1.00 0.00 C ATOM 281 O ASN A 22 2.394 -1.783 2.652 1.00 0.00 O ATOM 282 CB ASN A 22 3.512 -4.255 0.606 1.00 0.00 C ATOM 283 CG ASN A 22 4.802 -4.466 -0.190 1.00 0.00 C ATOM 284 OD1 ASN A 22 5.895 -4.165 0.259 1.00 0.00 O ATOM 285 ND2 ASN A 22 4.613 -4.999 -1.394 1.00 0.00 N ATOM 0 H ASN A 22 4.670 -5.426 2.501 1.00 0.00 H new ATOM 0 HA ASN A 22 4.565 -2.830 1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.016 -5.213 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.826 -3.631 0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.411 -5.179 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.670 -5.227 -1.708 1.00 0.00 H new ATOM 292 N ILE A 23 1.533 -3.873 2.720 1.00 0.00 N ATOM 293 CA ILE A 23 0.239 -3.444 3.221 1.00 0.00 C ATOM 294 C ILE A 23 0.443 -2.417 4.336 1.00 0.00 C ATOM 295 O ILE A 23 0.012 -1.271 4.217 1.00 0.00 O ATOM 296 CB ILE A 23 -0.600 -4.652 3.643 1.00 0.00 C ATOM 297 CG1 ILE A 23 -1.061 -5.453 2.424 1.00 0.00 C ATOM 298 CG2 ILE A 23 -1.775 -4.223 4.524 1.00 0.00 C ATOM 299 CD1 ILE A 23 -1.958 -6.619 2.842 1.00 0.00 C ATOM 0 H ILE A 23 1.622 -4.879 2.576 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.330 -2.950 2.433 1.00 0.00 H new ATOM 0 HB ILE A 23 0.028 -5.311 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.602 -4.800 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.193 -5.832 1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.355 -5.101 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.397 -3.730 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.411 -3.532 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.272 -7.172 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.406 -7.282 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.837 -6.235 3.360 1.00 0.00 H new ATOM 311 N GLN A 24 1.102 -2.864 5.395 1.00 0.00 N ATOM 312 CA GLN A 24 1.369 -1.998 6.531 1.00 0.00 C ATOM 313 C GLN A 24 1.760 -0.599 6.051 1.00 0.00 C ATOM 314 O GLN A 24 1.065 0.375 6.334 1.00 0.00 O ATOM 315 CB GLN A 24 2.454 -2.593 7.431 1.00 0.00 C ATOM 316 CG GLN A 24 1.853 -3.571 8.442 1.00 0.00 C ATOM 317 CD GLN A 24 2.254 -3.197 9.871 1.00 0.00 C ATOM 318 OE1 GLN A 24 1.681 -2.320 10.495 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.268 -3.911 10.352 1.00 0.00 N ATOM 0 H GLN A 24 1.459 -3.815 5.490 1.00 0.00 H new ATOM 0 HA GLN A 24 0.458 -1.916 7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.197 -3.106 6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.973 -1.793 7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.767 -3.570 8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.190 -4.583 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.703 -4.631 9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.610 -3.738 11.297 1.00 0.00 H new ATOM 328 N ARG A 25 2.873 -0.544 5.334 1.00 0.00 N ATOM 329 CA ARG A 25 3.365 0.720 4.812 1.00 0.00 C ATOM 330 C ARG A 25 2.212 1.536 4.224 1.00 0.00 C ATOM 331 O ARG A 25 1.943 2.650 4.673 1.00 0.00 O ATOM 332 CB ARG A 25 4.424 0.494 3.731 1.00 0.00 C ATOM 333 CG ARG A 25 5.834 0.622 4.311 1.00 0.00 C ATOM 334 CD ARG A 25 6.589 -0.706 4.214 1.00 0.00 C ATOM 335 NE ARG A 25 7.621 -0.779 5.272 1.00 0.00 N ATOM 336 CZ ARG A 25 7.374 -1.133 6.540 1.00 0.00 C ATOM 337 NH1 ARG A 25 6.127 -1.447 6.917 1.00 0.00 N ATOM 338 NH2 ARG A 25 8.373 -1.172 7.432 1.00 0.00 N ATOM 0 H ARG A 25 3.448 -1.354 5.102 1.00 0.00 H new ATOM 0 HA ARG A 25 3.817 1.267 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.296 -0.495 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.290 1.219 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.383 1.396 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.775 0.936 5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.892 -1.538 4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.055 -0.798 3.233 1.00 0.00 H new ATOM 0 HE ARG A 25 8.581 -0.545 5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.366 -1.416 6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.939 -1.717 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.322 -0.932 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.184 -1.442 8.397 1.00 0.00 H new ATOM 352 N ILE A 26 1.562 0.951 3.229 1.00 0.00 N ATOM 353 CA ILE A 26 0.444 1.611 2.575 1.00 0.00 C ATOM 354 C ILE A 26 -0.402 2.333 3.626 1.00 0.00 C ATOM 355 O ILE A 26 -0.580 3.548 3.556 1.00 0.00 O ATOM 356 CB ILE A 26 -0.347 0.612 1.729 1.00 0.00 C ATOM 357 CG1 ILE A 26 0.502 0.079 0.572 1.00 0.00 C ATOM 358 CG2 ILE A 26 -1.660 1.226 1.240 1.00 0.00 C ATOM 359 CD1 ILE A 26 0.263 -1.417 0.360 1.00 0.00 C ATOM 0 H ILE A 26 1.788 0.027 2.859 1.00 0.00 H new ATOM 0 HA ILE A 26 0.803 2.369 1.879 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.604 -0.240 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.260 0.622 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.557 0.257 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.203 0.495 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.268 1.516 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.446 2.106 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.878 -1.770 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.529 -1.960 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.788 -1.588 0.129 1.00 0.00 H new ATOM 371 N SER A 27 -0.900 1.554 4.575 1.00 0.00 N ATOM 372 CA SER A 27 -1.724 2.104 5.638 1.00 0.00 C ATOM 373 C SER A 27 -0.929 3.145 6.429 1.00 0.00 C ATOM 374 O SER A 27 -1.466 4.187 6.803 1.00 0.00 O ATOM 375 CB SER A 27 -2.228 1.001 6.571 1.00 0.00 C ATOM 376 OG SER A 27 -3.646 1.022 6.705 1.00 0.00 O ATOM 0 H SER A 27 -0.749 0.547 4.630 1.00 0.00 H new ATOM 0 HA SER A 27 -2.592 2.584 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.914 0.030 6.187 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.769 1.119 7.553 1.00 0.00 H new ATOM 0 HG SER A 27 -3.928 0.302 7.307 1.00 0.00 H new ATOM 382 N GLN A 28 0.336 2.828 6.661 1.00 0.00 N ATOM 383 CA GLN A 28 1.209 3.723 7.400 1.00 0.00 C ATOM 384 C GLN A 28 1.347 5.058 6.665 1.00 0.00 C ATOM 385 O GLN A 28 0.891 6.090 7.154 1.00 0.00 O ATOM 386 CB GLN A 28 2.578 3.083 7.636 1.00 0.00 C ATOM 387 CG GLN A 28 2.477 1.917 8.621 1.00 0.00 C ATOM 388 CD GLN A 28 3.729 1.827 9.495 1.00 0.00 C ATOM 389 OE1 GLN A 28 4.823 2.195 9.098 1.00 0.00 O ATOM 390 NE2 GLN A 28 3.510 1.317 10.704 1.00 0.00 N ATOM 0 H GLN A 28 0.778 1.963 6.350 1.00 0.00 H new ATOM 0 HA GLN A 28 0.760 3.912 8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.986 2.729 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.271 3.831 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.597 2.045 9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.344 0.984 8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.569 1.029 10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.283 1.214 11.362 1.00 0.00 H new ATOM 399 N ALA A 29 1.977 4.993 5.501 1.00 0.00 N ATOM 400 CA ALA A 29 2.181 6.184 4.693 1.00 0.00 C ATOM 401 C ALA A 29 0.881 6.990 4.645 1.00 0.00 C ATOM 402 O ALA A 29 0.898 8.211 4.794 1.00 0.00 O ATOM 403 CB ALA A 29 2.668 5.779 3.301 1.00 0.00 C ATOM 0 H ALA A 29 2.353 4.135 5.098 1.00 0.00 H new ATOM 0 HA ALA A 29 2.948 6.821 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.821 6.672 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.608 5.234 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.922 5.141 2.826 1.00 0.00 H new ATOM 409 N THR A 30 -0.214 6.275 4.436 1.00 0.00 N ATOM 410 CA THR A 30 -1.520 6.908 4.366 1.00 0.00 C ATOM 411 C THR A 30 -1.779 7.737 5.625 1.00 0.00 C ATOM 412 O THR A 30 -2.403 8.795 5.559 1.00 0.00 O ATOM 413 CB THR A 30 -2.564 5.815 4.133 1.00 0.00 C ATOM 414 OG1 THR A 30 -2.533 5.599 2.724 1.00 0.00 O ATOM 415 CG2 THR A 30 -3.990 6.299 4.404 1.00 0.00 C ATOM 0 H THR A 30 -0.224 5.263 4.313 1.00 0.00 H new ATOM 0 HA THR A 30 -1.574 7.611 3.535 1.00 0.00 H new ATOM 0 HB THR A 30 -2.343 4.961 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.914 4.867 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.691 5.484 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.072 6.626 5.441 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.224 7.132 3.741 1.00 0.00 H new ATOM 423 N ALA A 31 -1.285 7.226 6.743 1.00 0.00 N ATOM 424 CA ALA A 31 -1.455 7.906 8.016 1.00 0.00 C ATOM 425 C ALA A 31 -0.586 9.165 8.037 1.00 0.00 C ATOM 426 O ALA A 31 -1.037 10.228 8.461 1.00 0.00 O ATOM 427 CB ALA A 31 -1.116 6.945 9.158 1.00 0.00 C ATOM 0 H ALA A 31 -0.767 6.349 6.794 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.491 8.218 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.244 7.455 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.780 6.082 9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.083 6.613 9.059 1.00 0.00 H new ATOM 433 N GLN A 32 0.645 9.004 7.573 1.00 0.00 N ATOM 434 CA GLN A 32 1.581 10.114 7.533 1.00 0.00 C ATOM 435 C GLN A 32 0.963 11.303 6.795 1.00 0.00 C ATOM 436 O GLN A 32 1.059 12.441 7.252 1.00 0.00 O ATOM 437 CB GLN A 32 2.903 9.694 6.887 1.00 0.00 C ATOM 438 CG GLN A 32 3.908 9.234 7.945 1.00 0.00 C ATOM 439 CD GLN A 32 4.550 7.903 7.549 1.00 0.00 C ATOM 440 OE1 GLN A 32 4.098 6.832 7.919 1.00 0.00 O ATOM 441 NE2 GLN A 32 5.627 8.029 6.779 1.00 0.00 N ATOM 0 H GLN A 32 1.015 8.121 7.222 1.00 0.00 H new ATOM 0 HA GLN A 32 1.796 10.419 8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.724 8.888 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.319 10.530 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.681 9.992 8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.406 9.128 8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.953 8.956 6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.127 7.199 6.462 1.00 0.00 H new ATOM 450 N ILE A 33 0.342 10.998 5.665 1.00 0.00 N ATOM 451 CA ILE A 33 -0.292 12.028 4.858 1.00 0.00 C ATOM 452 C ILE A 33 -1.371 12.727 5.687 1.00 0.00 C ATOM 453 O ILE A 33 -1.399 13.954 5.767 1.00 0.00 O ATOM 454 CB ILE A 33 -0.811 11.436 3.546 1.00 0.00 C ATOM 455 CG1 ILE A 33 0.338 11.166 2.573 1.00 0.00 C ATOM 456 CG2 ILE A 33 -1.887 12.333 2.929 1.00 0.00 C ATOM 457 CD1 ILE A 33 0.179 9.801 1.902 1.00 0.00 C ATOM 0 H ILE A 33 0.264 10.053 5.289 1.00 0.00 H new ATOM 0 HA ILE A 33 0.434 12.789 4.572 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.278 10.476 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.367 11.947 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.288 11.204 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.240 11.890 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.722 12.430 3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.467 13.318 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.009 9.634 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.175 9.020 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.760 9.774 1.349 1.00 0.00 H new ATOM 469 N LYS A 34 -2.232 11.916 6.284 1.00 0.00 N ATOM 470 CA LYS A 34 -3.310 12.442 7.104 1.00 0.00 C ATOM 471 C LYS A 34 -2.720 13.295 8.229 1.00 0.00 C ATOM 472 O LYS A 34 -3.288 14.321 8.598 1.00 0.00 O ATOM 473 CB LYS A 34 -4.209 11.307 7.600 1.00 0.00 C ATOM 474 CG LYS A 34 -4.932 10.632 6.433 1.00 0.00 C ATOM 475 CD LYS A 34 -5.861 9.523 6.932 1.00 0.00 C ATOM 476 CE LYS A 34 -5.283 8.141 6.620 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.781 7.141 7.590 1.00 0.00 N ATOM 0 H LYS A 34 -2.205 10.899 6.216 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.954 13.093 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.610 10.571 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.940 11.699 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.509 11.373 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.201 10.215 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.010 9.625 8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.840 9.626 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.560 7.844 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.194 8.179 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.379 6.209 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.496 7.418 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.819 7.093 7.537 1.00 0.00 H new ATOM 491 N ASN A 35 -1.587 12.838 8.742 1.00 0.00 N ATOM 492 CA ASN A 35 -0.913 13.546 9.818 1.00 0.00 C ATOM 493 C ASN A 35 -0.294 14.832 9.266 1.00 0.00 C ATOM 494 O ASN A 35 -0.410 15.893 9.877 1.00 0.00 O ATOM 495 CB ASN A 35 0.211 12.699 10.416 1.00 0.00 C ATOM 496 CG ASN A 35 -0.227 12.059 11.735 1.00 0.00 C ATOM 497 OD1 ASN A 35 -1.216 11.348 11.811 1.00 0.00 O ATOM 498 ND2 ASN A 35 0.561 12.349 12.766 1.00 0.00 N ATOM 0 H ASN A 35 -1.119 11.986 8.433 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.649 13.764 10.591 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.501 11.922 9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.090 13.321 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.353 11.969 13.690 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.374 12.951 12.633 1.00 0.00 H new ATOM 505 N LEU A 36 0.351 14.695 8.117 1.00 0.00 N ATOM 506 CA LEU A 36 0.989 15.832 7.476 1.00 0.00 C ATOM 507 C LEU A 36 -0.086 16.770 6.924 1.00 0.00 C ATOM 508 O LEU A 36 0.181 17.943 6.667 1.00 0.00 O ATOM 509 CB LEU A 36 1.993 15.360 6.423 1.00 0.00 C ATOM 510 CG LEU A 36 3.199 14.579 6.949 1.00 0.00 C ATOM 511 CD1 LEU A 36 3.745 13.629 5.881 1.00 0.00 C ATOM 512 CD2 LEU A 36 4.278 15.526 7.479 1.00 0.00 C ATOM 0 H LEU A 36 0.446 13.813 7.613 1.00 0.00 H new ATOM 0 HA LEU A 36 1.568 16.403 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.466 14.735 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.358 16.232 5.881 1.00 0.00 H new ATOM 0 HG LEU A 36 2.869 13.966 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.602 13.086 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.968 12.920 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.054 14.203 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.124 14.945 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.611 16.184 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.869 16.125 8.292 1.00 0.00 H new ATOM 524 N MET A 37 -1.279 16.218 6.758 1.00 0.00 N ATOM 525 CA MET A 37 -2.395 16.991 6.241 1.00 0.00 C ATOM 526 C MET A 37 -2.829 18.065 7.240 1.00 0.00 C ATOM 527 O MET A 37 -2.937 19.238 6.888 1.00 0.00 O ATOM 528 CB MET A 37 -3.573 16.057 5.952 1.00 0.00 C ATOM 529 CG MET A 37 -4.189 16.358 4.584 1.00 0.00 C ATOM 530 SD MET A 37 -3.652 15.144 3.392 1.00 0.00 S ATOM 531 CE MET A 37 -4.269 13.657 4.163 1.00 0.00 C ATOM 0 H MET A 37 -1.497 15.245 6.972 1.00 0.00 H new ATOM 0 HA MET A 37 -2.076 17.484 5.323 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.236 15.021 5.983 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.330 16.170 6.728 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.277 16.352 4.657 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.897 17.356 4.256 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.431 13.022 4.452 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.848 13.920 5.049 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.905 13.120 3.460 1.00 0.00 H new ATOM 541 N SER A 38 -3.066 17.625 8.467 1.00 0.00 N ATOM 542 CA SER A 38 -3.485 18.534 9.521 1.00 0.00 C ATOM 543 C SER A 38 -2.355 19.513 9.847 1.00 0.00 C ATOM 544 O SER A 38 -2.573 20.511 10.532 1.00 0.00 O ATOM 545 CB SER A 38 -3.902 17.766 10.777 1.00 0.00 C ATOM 546 OG SER A 38 -5.293 17.908 11.052 1.00 0.00 O ATOM 0 H SER A 38 -2.976 16.651 8.755 1.00 0.00 H new ATOM 0 HA SER A 38 -4.351 19.094 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.663 16.710 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.325 18.125 11.630 1.00 0.00 H new ATOM 0 HG SER A 38 -5.520 17.402 11.860 1.00 0.00 H new ATOM 755 N ASN A 52 6.300 16.019 1.148 1.00 0.00 N ATOM 756 CA ASN A 52 6.191 14.701 1.751 1.00 0.00 C ATOM 757 C ASN A 52 4.891 14.039 1.290 1.00 0.00 C ATOM 758 O ASN A 52 4.906 12.917 0.788 1.00 0.00 O ATOM 759 CB ASN A 52 6.158 14.796 3.278 1.00 0.00 C ATOM 760 CG ASN A 52 7.559 14.629 3.868 1.00 0.00 C ATOM 761 OD1 ASN A 52 8.308 13.734 3.514 1.00 0.00 O ATOM 762 ND2 ASN A 52 7.871 15.539 4.787 1.00 0.00 N ATOM 0 HA ASN A 52 7.059 14.117 1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.746 15.760 3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.497 14.028 3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.784 15.513 5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.197 16.263 5.038 1.00 0.00 H new ATOM 769 N LEU A 53 3.798 14.764 1.476 1.00 0.00 N ATOM 770 CA LEU A 53 2.492 14.261 1.085 1.00 0.00 C ATOM 771 C LEU A 53 2.611 13.532 -0.255 1.00 0.00 C ATOM 772 O LEU A 53 2.111 12.418 -0.406 1.00 0.00 O ATOM 773 CB LEU A 53 1.461 15.392 1.080 1.00 0.00 C ATOM 774 CG LEU A 53 1.266 16.127 2.408 1.00 0.00 C ATOM 775 CD1 LEU A 53 0.566 17.471 2.193 1.00 0.00 C ATOM 776 CD2 LEU A 53 0.524 15.249 3.417 1.00 0.00 C ATOM 0 H LEU A 53 3.790 15.695 1.892 1.00 0.00 H new ATOM 0 HA LEU A 53 2.131 13.535 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.754 16.120 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.500 14.980 0.771 1.00 0.00 H new ATOM 0 HG LEU A 53 2.249 16.340 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.440 17.973 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.170 18.095 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.411 17.304 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.399 15.795 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.455 14.984 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.099 14.341 3.601 1.00 0.00 H new ATOM 788 N GLN A 54 3.275 14.190 -1.193 1.00 0.00 N ATOM 789 CA GLN A 54 3.466 13.618 -2.515 1.00 0.00 C ATOM 790 C GLN A 54 4.459 12.456 -2.453 1.00 0.00 C ATOM 791 O GLN A 54 4.298 11.458 -3.154 1.00 0.00 O ATOM 792 CB GLN A 54 3.930 14.683 -3.511 1.00 0.00 C ATOM 793 CG GLN A 54 2.763 15.178 -4.368 1.00 0.00 C ATOM 794 CD GLN A 54 2.927 14.739 -5.824 1.00 0.00 C ATOM 795 OE1 GLN A 54 3.949 14.208 -6.228 1.00 0.00 O ATOM 796 NE2 GLN A 54 1.867 14.989 -6.588 1.00 0.00 N ATOM 0 H GLN A 54 3.688 15.114 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 54 2.508 13.233 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.372 15.522 -2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.708 14.271 -4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.825 14.790 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.705 16.265 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.043 15.436 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.878 14.733 -7.575 1.00 0.00 H new ATOM 805 N GLN A 55 5.465 12.624 -1.607 1.00 0.00 N ATOM 806 CA GLN A 55 6.485 11.602 -1.444 1.00 0.00 C ATOM 807 C GLN A 55 5.894 10.369 -0.756 1.00 0.00 C ATOM 808 O GLN A 55 6.418 9.265 -0.897 1.00 0.00 O ATOM 809 CB GLN A 55 7.684 12.143 -0.664 1.00 0.00 C ATOM 810 CG GLN A 55 7.686 11.618 0.773 1.00 0.00 C ATOM 811 CD GLN A 55 8.925 12.100 1.531 1.00 0.00 C ATOM 812 OE1 GLN A 55 9.512 13.125 1.225 1.00 0.00 O ATOM 813 NE2 GLN A 55 9.287 11.306 2.535 1.00 0.00 N ATOM 0 H GLN A 55 5.595 13.453 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 55 6.840 11.309 -2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.608 11.851 -1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.656 13.233 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.786 11.955 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.661 10.528 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.751 10.462 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.101 11.541 3.103 1.00 0.00 H new ATOM 822 N LEU A 56 4.812 10.599 -0.027 1.00 0.00 N ATOM 823 CA LEU A 56 4.145 9.521 0.683 1.00 0.00 C ATOM 824 C LEU A 56 3.207 8.787 -0.278 1.00 0.00 C ATOM 825 O LEU A 56 3.197 7.558 -0.323 1.00 0.00 O ATOM 826 CB LEU A 56 3.448 10.055 1.935 1.00 0.00 C ATOM 827 CG LEU A 56 4.341 10.277 3.157 1.00 0.00 C ATOM 828 CD1 LEU A 56 3.883 11.498 3.957 1.00 0.00 C ATOM 829 CD2 LEU A 56 4.408 9.017 4.023 1.00 0.00 C ATOM 0 H LEU A 56 4.381 11.516 0.087 1.00 0.00 H new ATOM 0 HA LEU A 56 4.872 8.791 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.968 11.001 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.656 9.359 2.210 1.00 0.00 H new ATOM 0 HG LEU A 56 5.353 10.482 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.535 11.633 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.929 12.385 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.858 11.347 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.049 9.202 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.406 8.757 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.816 8.194 3.437 1.00 0.00 H new ATOM 841 N GLN A 57 2.443 9.572 -1.023 1.00 0.00 N ATOM 842 CA GLN A 57 1.504 9.012 -1.980 1.00 0.00 C ATOM 843 C GLN A 57 2.231 8.088 -2.959 1.00 0.00 C ATOM 844 O GLN A 57 1.865 6.923 -3.108 1.00 0.00 O ATOM 845 CB GLN A 57 0.753 10.118 -2.724 1.00 0.00 C ATOM 846 CG GLN A 57 -0.323 10.744 -1.834 1.00 0.00 C ATOM 847 CD GLN A 57 -0.805 12.076 -2.413 1.00 0.00 C ATOM 848 OE1 GLN A 57 -1.431 12.139 -3.458 1.00 0.00 O ATOM 849 NE2 GLN A 57 -0.479 13.135 -1.676 1.00 0.00 N ATOM 0 H GLN A 57 2.455 10.591 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 57 0.767 8.423 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.456 10.886 -3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.293 9.709 -3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.165 10.059 -1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.075 10.902 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.047 13.012 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.755 14.070 -1.976 1.00 0.00 H new ATOM 858 N HIS A 58 3.248 8.643 -3.602 1.00 0.00 N ATOM 859 CA HIS A 58 4.030 7.884 -4.563 1.00 0.00 C ATOM 860 C HIS A 58 4.517 6.586 -3.917 1.00 0.00 C ATOM 861 O HIS A 58 4.206 5.496 -4.394 1.00 0.00 O ATOM 862 CB HIS A 58 5.173 8.733 -5.125 1.00 0.00 C ATOM 863 CG HIS A 58 6.183 7.948 -5.927 1.00 0.00 C ATOM 864 ND1 HIS A 58 7.511 8.324 -6.033 1.00 0.00 N ATOM 865 CD2 HIS A 58 6.047 6.805 -6.658 1.00 0.00 C ATOM 866 CE1 HIS A 58 8.136 7.440 -6.797 1.00 0.00 C ATOM 867 NE2 HIS A 58 7.227 6.500 -7.184 1.00 0.00 N ATOM 0 H HIS A 58 3.548 9.610 -3.476 1.00 0.00 H new ATOM 0 HA HIS A 58 3.405 7.613 -5.414 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.754 9.517 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.685 9.227 -4.299 1.00 0.00 H new ATOM 0 HD1 HIS A 58 7.936 9.142 -5.597 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.134 6.243 -6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.182 7.460 -7.066 1.00 0.00 H new ATOM 875 N SER A 59 5.274 6.746 -2.841 1.00 0.00 N ATOM 876 CA SER A 59 5.808 5.600 -2.125 1.00 0.00 C ATOM 877 C SER A 59 4.757 4.490 -2.057 1.00 0.00 C ATOM 878 O SER A 59 5.014 3.361 -2.473 1.00 0.00 O ATOM 879 CB SER A 59 6.258 5.992 -0.716 1.00 0.00 C ATOM 880 OG SER A 59 7.582 5.546 -0.435 1.00 0.00 O ATOM 0 H SER A 59 5.530 7.652 -2.448 1.00 0.00 H new ATOM 0 HA SER A 59 6.680 5.234 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.210 7.076 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.570 5.568 0.015 1.00 0.00 H new ATOM 0 HG SER A 59 7.833 5.817 0.473 1.00 0.00 H new ATOM 886 N THR A 60 3.597 4.849 -1.529 1.00 0.00 N ATOM 887 CA THR A 60 2.506 3.898 -1.401 1.00 0.00 C ATOM 888 C THR A 60 2.021 3.454 -2.782 1.00 0.00 C ATOM 889 O THR A 60 1.778 2.269 -3.007 1.00 0.00 O ATOM 890 CB THR A 60 1.411 4.545 -0.551 1.00 0.00 C ATOM 891 OG1 THR A 60 2.037 4.770 0.710 1.00 0.00 O ATOM 892 CG2 THR A 60 0.269 3.578 -0.232 1.00 0.00 C ATOM 0 H THR A 60 3.388 5.786 -1.184 1.00 0.00 H new ATOM 0 HA THR A 60 2.832 2.988 -0.898 1.00 0.00 H new ATOM 0 HB THR A 60 1.014 5.416 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.566 5.594 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.481 4.088 0.373 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.187 3.234 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.660 2.723 0.319 1.00 0.00 H new ATOM 900 N ASN A 61 1.893 4.428 -3.670 1.00 0.00 N ATOM 901 CA ASN A 61 1.441 4.153 -5.024 1.00 0.00 C ATOM 902 C ASN A 61 2.192 2.937 -5.570 1.00 0.00 C ATOM 903 O ASN A 61 1.576 1.955 -5.980 1.00 0.00 O ATOM 904 CB ASN A 61 1.722 5.338 -5.950 1.00 0.00 C ATOM 905 CG ASN A 61 0.519 5.626 -6.851 1.00 0.00 C ATOM 906 OD1 ASN A 61 -0.627 5.568 -6.438 1.00 0.00 O ATOM 907 ND2 ASN A 61 0.844 5.939 -8.102 1.00 0.00 N ATOM 0 H ASN A 61 2.094 5.409 -3.479 1.00 0.00 H new ATOM 0 HA ASN A 61 0.367 3.969 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.956 6.221 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.598 5.126 -6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.113 6.149 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.824 5.969 -8.382 1.00 0.00 H new ATOM 914 N GLN A 62 3.513 3.043 -5.558 1.00 0.00 N ATOM 915 CA GLN A 62 4.355 1.964 -6.048 1.00 0.00 C ATOM 916 C GLN A 62 4.102 0.687 -5.243 1.00 0.00 C ATOM 917 O GLN A 62 3.715 -0.337 -5.804 1.00 0.00 O ATOM 918 CB GLN A 62 5.832 2.358 -6.002 1.00 0.00 C ATOM 919 CG GLN A 62 6.059 3.716 -6.668 1.00 0.00 C ATOM 920 CD GLN A 62 6.708 3.551 -8.044 1.00 0.00 C ATOM 921 OE1 GLN A 62 7.877 3.227 -8.172 1.00 0.00 O ATOM 922 NE2 GLN A 62 5.887 3.790 -9.062 1.00 0.00 N ATOM 0 H GLN A 62 4.021 3.859 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 62 4.097 1.771 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.170 2.396 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.430 1.598 -6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.108 4.238 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.695 4.334 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.919 4.058 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.225 3.706 -10.021 1.00 0.00 H new ATOM 931 N LEU A 63 4.331 0.790 -3.942 1.00 0.00 N ATOM 932 CA LEU A 63 4.134 -0.344 -3.056 1.00 0.00 C ATOM 933 C LEU A 63 2.890 -1.119 -3.496 1.00 0.00 C ATOM 934 O LEU A 63 2.974 -2.305 -3.812 1.00 0.00 O ATOM 935 CB LEU A 63 4.086 0.118 -1.598 1.00 0.00 C ATOM 936 CG LEU A 63 5.435 0.223 -0.883 1.00 0.00 C ATOM 937 CD1 LEU A 63 5.329 1.111 0.359 1.00 0.00 C ATOM 938 CD2 LEU A 63 5.988 -1.164 -0.551 1.00 0.00 C ATOM 0 H LEU A 63 4.651 1.641 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 63 4.978 -1.030 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.601 1.094 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.454 -0.572 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 63 6.145 0.699 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.301 1.169 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.010 2.111 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.600 0.686 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.947 -1.061 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.288 -1.689 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.124 -1.732 -1.472 1.00 0.00 H new ATOM 950 N ALA A 64 1.766 -0.418 -3.503 1.00 0.00 N ATOM 951 CA ALA A 64 0.507 -1.026 -3.899 1.00 0.00 C ATOM 952 C ALA A 64 0.714 -1.819 -5.191 1.00 0.00 C ATOM 953 O ALA A 64 0.487 -3.027 -5.225 1.00 0.00 O ATOM 954 CB ALA A 64 -0.560 0.060 -4.046 1.00 0.00 C ATOM 0 H ALA A 64 1.701 0.566 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 64 0.160 -1.723 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.505 -0.396 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.689 0.575 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.248 0.776 -4.806 1.00 0.00 H new ATOM 960 N LYS A 65 1.142 -1.107 -6.223 1.00 0.00 N ATOM 961 CA LYS A 65 1.381 -1.729 -7.514 1.00 0.00 C ATOM 962 C LYS A 65 2.049 -3.090 -7.304 1.00 0.00 C ATOM 963 O LYS A 65 1.577 -4.103 -7.816 1.00 0.00 O ATOM 964 CB LYS A 65 2.174 -0.789 -8.424 1.00 0.00 C ATOM 965 CG LYS A 65 1.550 0.608 -8.445 1.00 0.00 C ATOM 966 CD LYS A 65 1.229 1.043 -9.877 1.00 0.00 C ATOM 967 CE LYS A 65 -0.269 0.928 -10.162 1.00 0.00 C ATOM 968 NZ LYS A 65 -0.508 0.064 -11.340 1.00 0.00 N ATOM 0 H LYS A 65 1.329 -0.105 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 65 0.438 -1.912 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.205 -0.725 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.202 -1.194 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.639 0.612 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.234 1.323 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.554 2.072 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.785 0.425 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.780 0.516 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.689 1.918 -10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.530 -0.003 -11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.037 0.473 -12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.125 -0.886 -11.157 1.00 0.00 H new ATOM 982 N GLU A 66 3.138 -3.068 -6.549 1.00 0.00 N ATOM 983 CA GLU A 66 3.875 -4.287 -6.264 1.00 0.00 C ATOM 984 C GLU A 66 2.979 -5.293 -5.540 1.00 0.00 C ATOM 985 O GLU A 66 2.915 -6.460 -5.923 1.00 0.00 O ATOM 986 CB GLU A 66 5.135 -3.988 -5.448 1.00 0.00 C ATOM 987 CG GLU A 66 6.396 -4.198 -6.289 1.00 0.00 C ATOM 988 CD GLU A 66 7.158 -5.444 -5.832 1.00 0.00 C ATOM 989 OE1 GLU A 66 6.799 -6.538 -6.318 1.00 0.00 O ATOM 990 OE2 GLU A 66 8.082 -5.273 -5.008 1.00 0.00 O ATOM 0 H GLU A 66 3.527 -2.225 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 66 4.190 -4.727 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.102 -2.961 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.167 -4.635 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.124 -4.298 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.041 -3.323 -6.209 1.00 0.00 H new ATOM 997 N THR A 67 2.309 -4.804 -4.507 1.00 0.00 N ATOM 998 CA THR A 67 1.419 -5.646 -3.725 1.00 0.00 C ATOM 999 C THR A 67 0.491 -6.440 -4.647 1.00 0.00 C ATOM 1000 O THR A 67 0.463 -7.669 -4.595 1.00 0.00 O ATOM 1001 CB THR A 67 0.671 -4.752 -2.734 1.00 0.00 C ATOM 1002 OG1 THR A 67 1.619 -3.743 -2.394 1.00 0.00 O ATOM 1003 CG2 THR A 67 0.386 -5.459 -1.408 1.00 0.00 C ATOM 0 H THR A 67 2.364 -3.835 -4.193 1.00 0.00 H new ATOM 0 HA THR A 67 1.976 -6.390 -3.156 1.00 0.00 H new ATOM 0 HB THR A 67 -0.268 -4.423 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.668 -3.083 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.146 -4.781 -0.741 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.226 -6.342 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.327 -5.758 -0.946 1.00 0.00 H new ATOM 1011 N ASN A 68 -0.245 -5.707 -5.468 1.00 0.00 N ATOM 1012 CA ASN A 68 -1.171 -6.327 -6.400 1.00 0.00 C ATOM 1013 C ASN A 68 -0.414 -7.330 -7.273 1.00 0.00 C ATOM 1014 O ASN A 68 -0.925 -8.407 -7.573 1.00 0.00 O ATOM 1015 CB ASN A 68 -1.808 -5.284 -7.320 1.00 0.00 C ATOM 1016 CG ASN A 68 -3.267 -5.635 -7.619 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -3.586 -6.302 -8.590 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -4.132 -5.150 -6.733 1.00 0.00 N ATOM 0 H ASN A 68 -0.219 -4.688 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.952 -6.821 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.755 -4.301 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.246 -5.224 -8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.130 -5.329 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.797 -4.599 -5.943 1.00 0.00 H new ATOM 1025 N GLU A 69 0.792 -6.939 -7.657 1.00 0.00 N ATOM 1026 CA GLU A 69 1.625 -7.790 -8.491 1.00 0.00 C ATOM 1027 C GLU A 69 2.006 -9.064 -7.734 1.00 0.00 C ATOM 1028 O GLU A 69 1.938 -10.161 -8.285 1.00 0.00 O ATOM 1029 CB GLU A 69 2.871 -7.041 -8.967 1.00 0.00 C ATOM 1030 CG GLU A 69 2.576 -6.235 -10.233 1.00 0.00 C ATOM 1031 CD GLU A 69 3.383 -6.764 -11.420 1.00 0.00 C ATOM 1032 OE1 GLU A 69 3.042 -7.870 -11.891 1.00 0.00 O ATOM 1033 OE2 GLU A 69 4.323 -6.050 -11.831 1.00 0.00 O ATOM 0 H GLU A 69 1.213 -6.044 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 69 1.053 -8.073 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.221 -6.373 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.674 -7.751 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.511 -6.286 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.816 -5.185 -10.064 1.00 0.00 H new ATOM 1040 N LEU A 70 2.399 -8.875 -6.483 1.00 0.00 N ATOM 1041 CA LEU A 70 2.792 -9.996 -5.645 1.00 0.00 C ATOM 1042 C LEU A 70 1.565 -10.862 -5.352 1.00 0.00 C ATOM 1043 O LEU A 70 1.615 -12.083 -5.493 1.00 0.00 O ATOM 1044 CB LEU A 70 3.509 -9.500 -4.388 1.00 0.00 C ATOM 1045 CG LEU A 70 4.846 -8.792 -4.614 1.00 0.00 C ATOM 1046 CD1 LEU A 70 5.299 -8.059 -3.350 1.00 0.00 C ATOM 1047 CD2 LEU A 70 5.907 -9.773 -5.118 1.00 0.00 C ATOM 0 H LEU A 70 2.454 -7.963 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 70 3.512 -10.627 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.844 -8.817 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.678 -10.352 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 70 4.707 -8.040 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.252 -7.564 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.552 -7.315 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.416 -8.775 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.848 -9.244 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.050 -10.564 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.579 -10.210 -6.061 1.00 0.00 H new ATOM 1059 N LEU A 71 0.493 -10.196 -4.950 1.00 0.00 N ATOM 1060 CA LEU A 71 -0.745 -10.890 -4.636 1.00 0.00 C ATOM 1061 C LEU A 71 -1.148 -11.767 -5.823 1.00 0.00 C ATOM 1062 O LEU A 71 -1.917 -12.714 -5.667 1.00 0.00 O ATOM 1063 CB LEU A 71 -1.826 -9.894 -4.213 1.00 0.00 C ATOM 1064 CG LEU A 71 -1.586 -9.167 -2.888 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -2.534 -7.976 -2.737 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -1.689 -10.134 -1.706 1.00 0.00 C ATOM 0 H LEU A 71 0.456 -9.183 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.604 -11.553 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.933 -9.148 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.776 -10.425 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.570 -8.772 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.343 -7.477 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.370 -7.275 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.566 -8.327 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.514 -9.592 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.684 -10.579 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.942 -10.921 -1.813 1.00 0.00 H new ATOM 1078 N LYS A 72 -0.611 -11.421 -6.984 1.00 0.00 N ATOM 1079 CA LYS A 72 -0.905 -12.164 -8.197 1.00 0.00 C ATOM 1080 C LYS A 72 0.088 -13.321 -8.334 1.00 0.00 C ATOM 1081 O LYS A 72 -0.290 -14.426 -8.720 1.00 0.00 O ATOM 1082 CB LYS A 72 -0.930 -11.228 -9.407 1.00 0.00 C ATOM 1083 CG LYS A 72 -2.262 -10.480 -9.493 1.00 0.00 C ATOM 1084 CD LYS A 72 -2.210 -9.390 -10.565 1.00 0.00 C ATOM 1085 CE LYS A 72 -2.250 -9.998 -11.969 1.00 0.00 C ATOM 1086 NZ LYS A 72 -3.552 -9.723 -12.616 1.00 0.00 N ATOM 0 H LYS A 72 0.027 -10.635 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.901 -12.603 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.111 -10.513 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.772 -11.803 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.064 -11.182 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.496 -10.034 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.051 -8.708 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.301 -8.801 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.442 -9.585 -12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.086 -11.074 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.562 -10.142 -13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.317 -10.138 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.693 -8.695 -12.689 1.00 0.00 H new ATOM 1100 N GLU A 73 1.339 -13.026 -8.011 1.00 0.00 N ATOM 1101 CA GLU A 73 2.388 -14.027 -8.094 1.00 0.00 C ATOM 1102 C GLU A 73 2.243 -15.043 -6.960 1.00 0.00 C ATOM 1103 O GLU A 73 2.682 -16.186 -7.085 1.00 0.00 O ATOM 1104 CB GLU A 73 3.772 -13.374 -8.072 1.00 0.00 C ATOM 1105 CG GLU A 73 4.299 -13.256 -6.640 1.00 0.00 C ATOM 1106 CD GLU A 73 5.742 -12.747 -6.628 1.00 0.00 C ATOM 1107 OE1 GLU A 73 6.305 -12.610 -7.735 1.00 0.00 O ATOM 1108 OE2 GLU A 73 6.250 -12.507 -5.511 1.00 0.00 O ATOM 0 H GLU A 73 1.649 -12.108 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 73 2.286 -14.554 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.466 -13.963 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.719 -12.385 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.665 -12.577 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.248 -14.228 -6.148 1.00 0.00 H new ATOM 1115 N LEU A 74 1.626 -14.591 -5.878 1.00 0.00 N ATOM 1116 CA LEU A 74 1.418 -15.447 -4.722 1.00 0.00 C ATOM 1117 C LEU A 74 0.480 -16.593 -5.104 1.00 0.00 C ATOM 1118 O LEU A 74 0.893 -17.752 -5.141 1.00 0.00 O ATOM 1119 CB LEU A 74 0.929 -14.624 -3.528 1.00 0.00 C ATOM 1120 CG LEU A 74 1.807 -14.673 -2.276 1.00 0.00 C ATOM 1121 CD1 LEU A 74 1.397 -13.590 -1.276 1.00 0.00 C ATOM 1122 CD2 LEU A 74 1.789 -16.069 -1.648 1.00 0.00 C ATOM 0 H LEU A 74 1.263 -13.643 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 74 2.359 -15.897 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.836 -13.584 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.071 -14.967 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 74 2.835 -14.466 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.037 -13.647 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.503 -12.609 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.359 -13.742 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.421 -16.077 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.768 -16.329 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.165 -16.796 -2.367 1.00 0.00 H new ATOM 1134 N GLY A 75 -0.764 -16.231 -5.380 1.00 0.00 N ATOM 1135 CA GLY A 75 -1.764 -17.215 -5.758 1.00 0.00 C ATOM 1136 C GLY A 75 -1.287 -18.052 -6.947 1.00 0.00 C ATOM 1137 O GLY A 75 -1.716 -19.192 -7.120 1.00 0.00 O ATOM 0 H GLY A 75 -1.102 -15.269 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.976 -17.867 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.696 -16.712 -6.014 1.00 0.00 H new ATOM 1141 N SER A 76 -0.407 -17.454 -7.735 1.00 0.00 N ATOM 1142 CA SER A 76 0.133 -18.130 -8.903 1.00 0.00 C ATOM 1143 C SER A 76 0.882 -19.394 -8.476 1.00 0.00 C ATOM 1144 O SER A 76 0.768 -20.435 -9.122 1.00 0.00 O ATOM 1145 CB SER A 76 1.060 -17.205 -9.695 1.00 0.00 C ATOM 1146 OG SER A 76 0.937 -17.403 -11.101 1.00 0.00 O ATOM 0 H SER A 76 -0.054 -16.508 -7.588 1.00 0.00 H new ATOM 0 HA SER A 76 -0.697 -18.409 -9.551 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.830 -16.167 -9.453 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.092 -17.381 -9.393 1.00 0.00 H new ATOM 0 HG SER A 76 1.543 -16.793 -11.571 1.00 0.00 H new ATOM 1152 N LEU A 77 1.631 -19.262 -7.392 1.00 0.00 N ATOM 1153 CA LEU A 77 2.398 -20.381 -6.871 1.00 0.00 C ATOM 1154 C LEU A 77 1.509 -21.624 -6.822 1.00 0.00 C ATOM 1155 O LEU A 77 0.284 -21.515 -6.775 1.00 0.00 O ATOM 1156 CB LEU A 77 3.026 -20.019 -5.524 1.00 0.00 C ATOM 1157 CG LEU A 77 3.942 -18.794 -5.518 1.00 0.00 C ATOM 1158 CD1 LEU A 77 4.283 -18.371 -4.087 1.00 0.00 C ATOM 1159 CD2 LEU A 77 5.197 -19.043 -6.356 1.00 0.00 C ATOM 0 H LEU A 77 1.723 -18.397 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 77 3.233 -20.612 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.224 -19.852 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.598 -20.877 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 77 3.406 -17.965 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.935 -17.498 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.366 -18.124 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.791 -19.189 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.831 -18.156 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.746 -19.891 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.910 -19.259 -7.385 1.00 0.00 H new ATOM 1171 N PRO A 78 2.176 -22.809 -6.833 1.00 0.00 N ATOM 1172 CA PRO A 78 1.459 -24.072 -6.790 1.00 0.00 C ATOM 1173 C PRO A 78 0.921 -24.349 -5.384 1.00 0.00 C ATOM 1174 O PRO A 78 0.931 -23.468 -4.527 1.00 0.00 O ATOM 1175 CB PRO A 78 2.465 -25.112 -7.256 1.00 0.00 C ATOM 1176 CG PRO A 78 3.833 -24.468 -7.098 1.00 0.00 C ATOM 1177 CD PRO A 78 3.625 -22.977 -6.887 1.00 0.00 C ATOM 0 HA PRO A 78 0.576 -24.077 -7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.390 -26.022 -6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.283 -25.394 -8.293 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.364 -24.903 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.444 -24.647 -7.983 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.098 -22.638 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.061 -22.397 -7.701 1.00 0.00 H new ATOM 1185 N LEU A 79 0.464 -25.578 -5.192 1.00 0.00 N ATOM 1186 CA LEU A 79 -0.077 -25.982 -3.906 1.00 0.00 C ATOM 1187 C LEU A 79 0.702 -27.192 -3.387 1.00 0.00 C ATOM 1188 O LEU A 79 1.165 -28.020 -4.170 1.00 0.00 O ATOM 1189 CB LEU A 79 -1.585 -26.221 -4.010 1.00 0.00 C ATOM 1190 CG LEU A 79 -2.428 -25.014 -4.427 1.00 0.00 C ATOM 1191 CD1 LEU A 79 -3.287 -25.343 -5.650 1.00 0.00 C ATOM 1192 CD2 LEU A 79 -3.268 -24.500 -3.257 1.00 0.00 C ATOM 0 H LEU A 79 0.457 -26.307 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 79 0.047 -25.184 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.757 -27.024 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.944 -26.574 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.753 -24.208 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.877 -24.469 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.642 -25.624 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.955 -26.171 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.857 -23.642 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.936 -25.290 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.610 -24.201 -2.441 1.00 0.00 H new ATOM 1204 N PRO A 80 0.828 -27.258 -2.034 1.00 0.00 N ATOM 1205 CA PRO A 80 1.543 -28.353 -1.401 1.00 0.00 C ATOM 1206 C PRO A 80 0.711 -29.637 -1.422 1.00 0.00 C ATOM 1207 O PRO A 80 -0.496 -29.594 -1.653 1.00 0.00 O ATOM 1208 CB PRO A 80 1.846 -27.864 0.005 1.00 0.00 C ATOM 1209 CG PRO A 80 0.892 -26.709 0.260 1.00 0.00 C ATOM 1210 CD PRO A 80 0.293 -26.296 -1.075 1.00 0.00 C ATOM 0 HA PRO A 80 2.463 -28.613 -1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.699 -28.660 0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.883 -27.540 0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.107 -27.008 0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.420 -25.872 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.796 -26.328 -1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.575 -25.276 -1.337 1.00 0.00 H new ATOM 1218 N LEU A 81 1.389 -30.748 -1.177 1.00 0.00 N ATOM 1219 CA LEU A 81 0.728 -32.042 -1.164 1.00 0.00 C ATOM 1220 C LEU A 81 -0.225 -32.110 0.031 1.00 0.00 C ATOM 1221 O LEU A 81 -1.260 -32.773 -0.033 1.00 0.00 O ATOM 1222 CB LEU A 81 1.759 -33.171 -1.194 1.00 0.00 C ATOM 1223 CG LEU A 81 2.334 -33.518 -2.568 1.00 0.00 C ATOM 1224 CD1 LEU A 81 1.674 -34.776 -3.137 1.00 0.00 C ATOM 1225 CD2 LEU A 81 2.222 -32.330 -3.525 1.00 0.00 C ATOM 0 H LEU A 81 2.390 -30.779 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 81 0.124 -32.171 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.584 -32.900 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.299 -34.067 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 81 3.395 -33.737 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.101 -35.001 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.849 -35.615 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.602 -34.610 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.638 -32.603 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.174 -32.056 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.774 -31.483 -3.119 1.00 0.00 H new ATOM 1237 N SER A 82 0.157 -31.417 1.093 1.00 0.00 N ATOM 1238 CA SER A 82 -0.650 -31.391 2.301 1.00 0.00 C ATOM 1239 C SER A 82 -1.765 -30.352 2.162 1.00 0.00 C ATOM 1240 O SER A 82 -1.503 -29.191 1.853 1.00 0.00 O ATOM 1241 CB SER A 82 0.208 -31.087 3.531 1.00 0.00 C ATOM 1242 OG SER A 82 0.391 -32.238 4.351 1.00 0.00 O ATOM 0 H SER A 82 1.016 -30.869 1.142 1.00 0.00 H new ATOM 0 HA SER A 82 -1.094 -32.377 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.180 -30.711 3.211 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.263 -30.297 4.115 1.00 0.00 H new ATOM 0 HG SER A 82 0.945 -32.004 5.125 1.00 0.00 H new ATOM 1248 N THR A 83 -2.987 -30.808 2.398 1.00 0.00 N ATOM 1249 CA THR A 83 -4.143 -29.933 2.304 1.00 0.00 C ATOM 1250 C THR A 83 -4.092 -28.862 3.395 1.00 0.00 C ATOM 1251 O THR A 83 -4.468 -27.714 3.162 1.00 0.00 O ATOM 1252 CB THR A 83 -5.401 -30.803 2.364 1.00 0.00 C ATOM 1253 OG1 THR A 83 -5.254 -31.701 1.267 1.00 0.00 O ATOM 1254 CG2 THR A 83 -6.672 -30.018 2.036 1.00 0.00 C ATOM 0 H THR A 83 -3.201 -31.772 2.654 1.00 0.00 H new ATOM 0 HA THR A 83 -4.151 -29.389 1.359 1.00 0.00 H new ATOM 0 HB THR A 83 -5.492 -31.242 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.026 -32.303 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.535 -30.682 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.792 -29.205 2.752 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.596 -29.607 1.029 1.00 0.00 H new ATOM 1262 N SER A 84 -3.625 -29.276 4.564 1.00 0.00 N ATOM 1263 CA SER A 84 -3.520 -28.366 5.692 1.00 0.00 C ATOM 1264 C SER A 84 -2.764 -27.103 5.277 1.00 0.00 C ATOM 1265 O SER A 84 -2.989 -26.029 5.834 1.00 0.00 O ATOM 1266 CB SER A 84 -2.823 -29.037 6.878 1.00 0.00 C ATOM 1267 OG SER A 84 -3.671 -29.973 7.536 1.00 0.00 O ATOM 0 H SER A 84 -3.315 -30.229 4.754 1.00 0.00 H new ATOM 0 HA SER A 84 -4.527 -28.092 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.924 -29.545 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.504 -28.275 7.589 1.00 0.00 H new ATOM 0 HG SER A 84 -3.189 -30.381 8.286 1.00 0.00 H new ATOM 1273 N GLU A 85 -1.882 -27.272 4.303 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.091 -26.159 3.808 1.00 0.00 C ATOM 1275 C GLU A 85 -1.828 -25.448 2.671 1.00 0.00 C ATOM 1276 O GLU A 85 -1.745 -24.228 2.539 1.00 0.00 O ATOM 1277 CB GLU A 85 0.293 -26.628 3.354 1.00 0.00 C ATOM 1278 CG GLU A 85 1.255 -26.725 4.540 1.00 0.00 C ATOM 1279 CD GLU A 85 1.522 -25.345 5.143 1.00 0.00 C ATOM 1280 OE1 GLU A 85 1.990 -24.473 4.380 1.00 0.00 O ATOM 1281 OE2 GLU A 85 1.253 -25.193 6.355 1.00 0.00 O ATOM 0 H GLU A 85 -1.698 -28.164 3.843 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.949 -25.450 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.210 -27.600 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.691 -25.934 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.835 -27.383 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.195 -27.172 4.215 1.00 0.00 H new ATOM 1288 N GLN A 86 -2.534 -26.242 1.879 1.00 0.00 N ATOM 1289 CA GLN A 86 -3.286 -25.705 0.758 1.00 0.00 C ATOM 1290 C GLN A 86 -4.160 -24.536 1.216 1.00 0.00 C ATOM 1291 O GLN A 86 -3.953 -23.399 0.796 1.00 0.00 O ATOM 1292 CB GLN A 86 -4.130 -26.793 0.092 1.00 0.00 C ATOM 1293 CG GLN A 86 -3.242 -27.848 -0.570 1.00 0.00 C ATOM 1294 CD GLN A 86 -4.083 -28.992 -1.141 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -5.183 -28.804 -1.632 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -3.504 -30.187 -1.049 1.00 0.00 N ATOM 0 H GLN A 86 -2.601 -27.254 1.992 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.579 -25.335 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.771 -27.267 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.785 -26.344 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.658 -27.388 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.533 -28.241 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.580 -30.275 -0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.984 -31.015 -1.402 1.00 0.00 H new ATOM 1305 N ARG A 87 -5.118 -24.856 2.073 1.00 0.00 N ATOM 1306 CA ARG A 87 -6.025 -23.847 2.594 1.00 0.00 C ATOM 1307 C ARG A 87 -5.237 -22.728 3.278 1.00 0.00 C ATOM 1308 O ARG A 87 -5.448 -21.551 2.993 1.00 0.00 O ATOM 1309 CB ARG A 87 -7.009 -24.455 3.595 1.00 0.00 C ATOM 1310 CG ARG A 87 -6.269 -25.155 4.736 1.00 0.00 C ATOM 1311 CD ARG A 87 -7.203 -26.095 5.500 1.00 0.00 C ATOM 1312 NE ARG A 87 -7.751 -27.120 4.584 1.00 0.00 N ATOM 1313 CZ ARG A 87 -8.903 -26.989 3.912 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -9.636 -25.876 4.051 1.00 0.00 N ATOM 1315 NH2 ARG A 87 -9.322 -27.971 3.103 1.00 0.00 N ATOM 0 H ARG A 87 -5.286 -25.800 2.420 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.586 -23.439 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.651 -23.673 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.657 -25.168 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.427 -25.720 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.858 -24.411 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.661 -26.576 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.016 -25.526 5.950 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.218 -27.980 4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.317 -25.129 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.513 -25.776 3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.764 -28.819 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.199 -27.871 2.592 1.00 0.00 H new ATOM 1329 N GLN A 88 -4.345 -23.136 4.169 1.00 0.00 N ATOM 1330 CA GLN A 88 -3.525 -22.183 4.897 1.00 0.00 C ATOM 1331 C GLN A 88 -2.852 -21.211 3.926 1.00 0.00 C ATOM 1332 O GLN A 88 -2.493 -20.097 4.305 1.00 0.00 O ATOM 1333 CB GLN A 88 -2.486 -22.901 5.761 1.00 0.00 C ATOM 1334 CG GLN A 88 -3.156 -23.653 6.913 1.00 0.00 C ATOM 1335 CD GLN A 88 -3.611 -22.685 8.008 1.00 0.00 C ATOM 1336 OE1 GLN A 88 -3.122 -21.575 8.134 1.00 0.00 O ATOM 1337 NE2 GLN A 88 -4.572 -23.168 8.790 1.00 0.00 N ATOM 0 H GLN A 88 -4.172 -24.114 4.403 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.172 -21.612 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.918 -23.600 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.776 -22.176 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.013 -24.212 6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.460 -24.380 7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.937 -24.107 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.944 -22.600 9.551 1.00 0.00 H new ATOM 1346 N GLN A 89 -2.702 -21.667 2.691 1.00 0.00 N ATOM 1347 CA GLN A 89 -2.079 -20.852 1.662 1.00 0.00 C ATOM 1348 C GLN A 89 -3.074 -19.821 1.127 1.00 0.00 C ATOM 1349 O GLN A 89 -2.889 -18.619 1.313 1.00 0.00 O ATOM 1350 CB GLN A 89 -1.530 -21.723 0.530 1.00 0.00 C ATOM 1351 CG GLN A 89 -0.001 -21.670 0.490 1.00 0.00 C ATOM 1352 CD GLN A 89 0.528 -22.132 -0.869 1.00 0.00 C ATOM 1353 OE1 GLN A 89 -0.170 -22.129 -1.870 1.00 0.00 O ATOM 1354 NE2 GLN A 89 1.797 -22.528 -0.849 1.00 0.00 N ATOM 0 H GLN A 89 -3.001 -22.591 2.380 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.238 -20.320 2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.858 -22.753 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.934 -21.384 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.337 -20.653 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.409 -22.302 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.325 -22.505 0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.243 -22.855 -1.706 1.00 0.00 H new ATOM 1363 N ARG A 90 -4.109 -20.328 0.473 1.00 0.00 N ATOM 1364 CA ARG A 90 -5.134 -19.466 -0.090 1.00 0.00 C ATOM 1365 C ARG A 90 -5.756 -18.596 1.004 1.00 0.00 C ATOM 1366 O ARG A 90 -6.134 -17.453 0.754 1.00 0.00 O ATOM 1367 CB ARG A 90 -6.233 -20.286 -0.767 1.00 0.00 C ATOM 1368 CG ARG A 90 -7.017 -21.106 0.261 1.00 0.00 C ATOM 1369 CD ARG A 90 -7.866 -22.178 -0.425 1.00 0.00 C ATOM 1370 NE ARG A 90 -9.299 -21.953 -0.133 1.00 0.00 N ATOM 1371 CZ ARG A 90 -10.265 -22.848 -0.376 1.00 0.00 C ATOM 1372 NH1 ARG A 90 -9.958 -24.035 -0.918 1.00 0.00 N ATOM 1373 NH2 ARG A 90 -11.539 -22.558 -0.078 1.00 0.00 N ATOM 0 H ARG A 90 -4.260 -21.325 0.321 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.659 -18.831 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.912 -19.621 -1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.791 -20.952 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.325 -21.577 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.659 -20.446 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.698 -22.153 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.567 -23.167 -0.079 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.568 -21.060 0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.989 -24.256 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.694 -24.717 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.773 -21.655 0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.274 -23.240 -0.263 1.00 0.00 H new ATOM 1387 N LEU A 91 -5.844 -19.171 2.194 1.00 0.00 N ATOM 1388 CA LEU A 91 -6.414 -18.463 3.328 1.00 0.00 C ATOM 1389 C LEU A 91 -5.611 -17.186 3.582 1.00 0.00 C ATOM 1390 O LEU A 91 -6.174 -16.094 3.630 1.00 0.00 O ATOM 1391 CB LEU A 91 -6.504 -19.385 4.545 1.00 0.00 C ATOM 1392 CG LEU A 91 -7.654 -20.395 4.539 1.00 0.00 C ATOM 1393 CD1 LEU A 91 -7.714 -21.167 5.858 1.00 0.00 C ATOM 1394 CD2 LEU A 91 -8.983 -19.709 4.216 1.00 0.00 C ATOM 0 H LEU A 91 -5.530 -20.120 2.398 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.438 -18.159 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.566 -19.933 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.594 -18.767 5.438 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.465 -21.122 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.540 -21.878 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.778 -21.705 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.867 -20.469 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.784 -20.448 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.191 -18.947 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.922 -19.243 3.233 1.00 0.00 H new ATOM 1406 N GLN A 92 -4.308 -17.366 3.738 1.00 0.00 N ATOM 1407 CA GLN A 92 -3.421 -16.241 3.986 1.00 0.00 C ATOM 1408 C GLN A 92 -3.615 -15.167 2.915 1.00 0.00 C ATOM 1409 O GLN A 92 -4.021 -14.046 3.220 1.00 0.00 O ATOM 1410 CB GLN A 92 -1.962 -16.696 4.049 1.00 0.00 C ATOM 1411 CG GLN A 92 -1.672 -17.429 5.361 1.00 0.00 C ATOM 1412 CD GLN A 92 -1.678 -16.458 6.543 1.00 0.00 C ATOM 1413 OE1 GLN A 92 -2.677 -16.267 7.218 1.00 0.00 O ATOM 1414 NE2 GLN A 92 -0.511 -15.857 6.756 1.00 0.00 N ATOM 0 H GLN A 92 -3.845 -18.274 3.698 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.674 -15.810 4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.745 -17.352 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.304 -15.832 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.419 -18.206 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.704 -17.925 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.286 -16.062 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.413 -15.191 7.522 1.00 0.00 H new ATOM 1423 N LYS A 93 -3.315 -15.545 1.681 1.00 0.00 N ATOM 1424 CA LYS A 93 -3.451 -14.628 0.563 1.00 0.00 C ATOM 1425 C LYS A 93 -4.799 -13.911 0.658 1.00 0.00 C ATOM 1426 O LYS A 93 -4.850 -12.683 0.722 1.00 0.00 O ATOM 1427 CB LYS A 93 -3.238 -15.363 -0.762 1.00 0.00 C ATOM 1428 CG LYS A 93 -2.434 -14.506 -1.742 1.00 0.00 C ATOM 1429 CD LYS A 93 -2.797 -14.841 -3.190 1.00 0.00 C ATOM 1430 CE LYS A 93 -4.154 -14.244 -3.568 1.00 0.00 C ATOM 1431 NZ LYS A 93 -4.131 -13.746 -4.961 1.00 0.00 N ATOM 0 H LYS A 93 -2.978 -16.475 1.431 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.678 -13.861 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.715 -16.302 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.203 -15.615 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.627 -13.450 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.368 -14.669 -1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.028 -14.457 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.822 -15.923 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.933 -14.998 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.401 -13.429 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.922 -13.087 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.232 -13.254 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.223 -14.547 -5.618 1.00 0.00 H new ATOM 1445 N GLU A 94 -5.858 -14.707 0.665 1.00 0.00 N ATOM 1446 CA GLU A 94 -7.203 -14.163 0.752 1.00 0.00 C ATOM 1447 C GLU A 94 -7.247 -13.014 1.761 1.00 0.00 C ATOM 1448 O GLU A 94 -7.670 -11.908 1.429 1.00 0.00 O ATOM 1449 CB GLU A 94 -8.212 -15.253 1.118 1.00 0.00 C ATOM 1450 CG GLU A 94 -8.524 -16.140 -0.090 1.00 0.00 C ATOM 1451 CD GLU A 94 -9.619 -15.519 -0.959 1.00 0.00 C ATOM 1452 OE1 GLU A 94 -10.622 -15.064 -0.368 1.00 0.00 O ATOM 1453 OE2 GLU A 94 -9.428 -15.512 -2.194 1.00 0.00 O ATOM 0 H GLU A 94 -5.812 -15.725 0.612 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.480 -13.771 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.815 -15.864 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.131 -14.795 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.621 -16.283 -0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.841 -17.126 0.251 1.00 0.00 H new ATOM 1460 N ARG A 95 -6.803 -13.315 2.972 1.00 0.00 N ATOM 1461 CA ARG A 95 -6.787 -12.321 4.032 1.00 0.00 C ATOM 1462 C ARG A 95 -5.934 -11.120 3.619 1.00 0.00 C ATOM 1463 O ARG A 95 -6.346 -9.973 3.789 1.00 0.00 O ATOM 1464 CB ARG A 95 -6.232 -12.910 5.331 1.00 0.00 C ATOM 1465 CG ARG A 95 -7.342 -13.569 6.152 1.00 0.00 C ATOM 1466 CD ARG A 95 -8.151 -12.523 6.921 1.00 0.00 C ATOM 1467 NE ARG A 95 -9.376 -13.138 7.477 1.00 0.00 N ATOM 1468 CZ ARG A 95 -9.389 -13.964 8.533 1.00 0.00 C ATOM 1469 NH1 ARG A 95 -8.243 -14.278 9.152 1.00 0.00 N ATOM 1470 NH2 ARG A 95 -10.548 -14.476 8.969 1.00 0.00 N ATOM 0 H ARG A 95 -6.451 -14.233 3.243 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.815 -12.000 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.460 -13.644 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.759 -12.123 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.002 -14.131 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.907 -14.283 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.547 -12.104 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.416 -11.698 6.259 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.266 -12.920 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.361 -13.889 8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.253 -14.906 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.420 -14.237 8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.558 -15.104 9.772 1.00 0.00 H new ATOM 1484 N LEU A 96 -4.760 -11.424 3.085 1.00 0.00 N ATOM 1485 CA LEU A 96 -3.845 -10.383 2.647 1.00 0.00 C ATOM 1486 C LEU A 96 -4.565 -9.459 1.663 1.00 0.00 C ATOM 1487 O LEU A 96 -4.421 -8.239 1.733 1.00 0.00 O ATOM 1488 CB LEU A 96 -2.562 -10.999 2.087 1.00 0.00 C ATOM 1489 CG LEU A 96 -1.555 -11.508 3.120 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -1.019 -12.887 2.731 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -0.428 -10.494 3.333 1.00 0.00 C ATOM 0 H LEU A 96 -4.421 -12.376 2.946 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.533 -9.769 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.836 -11.829 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.067 -10.254 1.463 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.071 -11.621 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.305 -13.225 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.846 -13.595 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.524 -12.825 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.274 -10.880 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.093 -10.326 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.848 -9.553 3.688 1.00 0.00 H new ATOM 1503 N MET A 97 -5.324 -10.075 0.769 1.00 0.00 N ATOM 1504 CA MET A 97 -6.066 -9.323 -0.228 1.00 0.00 C ATOM 1505 C MET A 97 -7.066 -8.373 0.434 1.00 0.00 C ATOM 1506 O MET A 97 -7.106 -7.186 0.113 1.00 0.00 O ATOM 1507 CB MET A 97 -6.813 -10.292 -1.147 1.00 0.00 C ATOM 1508 CG MET A 97 -5.844 -11.268 -1.818 1.00 0.00 C ATOM 1509 SD MET A 97 -6.321 -11.530 -3.518 1.00 0.00 S ATOM 1510 CE MET A 97 -5.815 -9.970 -4.225 1.00 0.00 C ATOM 0 H MET A 97 -5.441 -11.087 0.714 1.00 0.00 H new ATOM 0 HA MET A 97 -5.360 -8.730 -0.808 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.554 -10.847 -0.571 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.356 -9.732 -1.908 1.00 0.00 H new ATOM 0 HG2 MET A 97 -4.829 -10.874 -1.773 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.841 -12.217 -1.282 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.635 -9.552 -4.808 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.548 -9.278 -3.426 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.952 -10.127 -4.873 1.00 0.00 H new ATOM 1520 N ASN A 98 -7.849 -8.931 1.345 1.00 0.00 N ATOM 1521 CA ASN A 98 -8.846 -8.149 2.055 1.00 0.00 C ATOM 1522 C ASN A 98 -8.146 -7.082 2.899 1.00 0.00 C ATOM 1523 O ASN A 98 -8.632 -5.958 3.014 1.00 0.00 O ATOM 1524 CB ASN A 98 -9.670 -9.030 2.996 1.00 0.00 C ATOM 1525 CG ASN A 98 -11.147 -9.026 2.598 1.00 0.00 C ATOM 1526 OD1 ASN A 98 -12.008 -8.536 3.311 1.00 0.00 O ATOM 1527 ND2 ASN A 98 -11.392 -9.599 1.423 1.00 0.00 N ATOM 0 H ASN A 98 -7.813 -9.916 1.608 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.506 -7.695 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.287 -10.050 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.565 -8.672 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.347 -9.648 1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.625 -9.990 0.876 1.00 0.00 H new ATOM 1534 N ASP A 99 -7.014 -7.471 3.467 1.00 0.00 N ATOM 1535 CA ASP A 99 -6.241 -6.562 4.296 1.00 0.00 C ATOM 1536 C ASP A 99 -5.768 -5.381 3.447 1.00 0.00 C ATOM 1537 O ASP A 99 -6.089 -4.231 3.743 1.00 0.00 O ATOM 1538 CB ASP A 99 -5.005 -7.257 4.871 1.00 0.00 C ATOM 1539 CG ASP A 99 -5.297 -8.480 5.743 1.00 0.00 C ATOM 1540 OD1 ASP A 99 -6.443 -8.565 6.235 1.00 0.00 O ATOM 1541 OD2 ASP A 99 -4.368 -9.301 5.898 1.00 0.00 O ATOM 0 H ASP A 99 -6.613 -8.404 3.369 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.879 -6.227 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.362 -7.563 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.442 -6.534 5.462 1.00 0.00 H new ATOM 1546 N PHE A 100 -5.013 -5.706 2.408 1.00 0.00 N ATOM 1547 CA PHE A 100 -4.492 -4.686 1.514 1.00 0.00 C ATOM 1548 C PHE A 100 -5.600 -3.728 1.071 1.00 0.00 C ATOM 1549 O PHE A 100 -5.383 -2.520 0.985 1.00 0.00 O ATOM 1550 CB PHE A 100 -3.938 -5.409 0.285 1.00 0.00 C ATOM 1551 CG PHE A 100 -3.637 -4.486 -0.898 1.00 0.00 C ATOM 1552 CD1 PHE A 100 -2.606 -3.602 -0.826 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -4.401 -4.548 -2.021 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -2.327 -2.745 -1.923 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -4.123 -3.692 -3.118 1.00 0.00 C ATOM 1556 CZ PHE A 100 -3.091 -2.808 -3.046 1.00 0.00 C ATOM 0 H PHE A 100 -4.750 -6.661 2.165 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.725 -4.102 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.024 -5.933 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.655 -6.167 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.999 -3.552 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.220 -5.249 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.508 -2.043 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.730 -3.742 -4.010 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.879 -2.156 -3.881 1.00 0.00 H new ATOM 1566 N SER A 101 -6.762 -4.303 0.801 1.00 0.00 N ATOM 1567 CA SER A 101 -7.904 -3.515 0.369 1.00 0.00 C ATOM 1568 C SER A 101 -8.210 -2.427 1.399 1.00 0.00 C ATOM 1569 O SER A 101 -8.199 -1.240 1.076 1.00 0.00 O ATOM 1570 CB SER A 101 -9.133 -4.400 0.152 1.00 0.00 C ATOM 1571 OG SER A 101 -8.928 -5.727 0.630 1.00 0.00 O ATOM 0 H SER A 101 -6.938 -5.305 0.873 1.00 0.00 H new ATOM 0 HA SER A 101 -7.654 -3.045 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.991 -3.960 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.374 -4.431 -0.911 1.00 0.00 H new ATOM 0 HG SER A 101 -8.425 -6.241 -0.036 1.00 0.00 H new ATOM 1577 N ALA A 102 -8.474 -2.870 2.620 1.00 0.00 N ATOM 1578 CA ALA A 102 -8.782 -1.948 3.700 1.00 0.00 C ATOM 1579 C ALA A 102 -7.738 -0.829 3.723 1.00 0.00 C ATOM 1580 O ALA A 102 -8.077 0.337 3.921 1.00 0.00 O ATOM 1581 CB ALA A 102 -8.845 -2.714 5.023 1.00 0.00 C ATOM 0 H ALA A 102 -8.481 -3.855 2.885 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.757 -1.486 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.076 -2.022 5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.621 -3.477 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.883 -3.189 5.215 1.00 0.00 H new ATOM 1587 N ALA A 103 -6.490 -1.224 3.519 1.00 0.00 N ATOM 1588 CA ALA A 103 -5.394 -0.270 3.514 1.00 0.00 C ATOM 1589 C ALA A 103 -5.463 0.572 2.238 1.00 0.00 C ATOM 1590 O ALA A 103 -5.149 1.761 2.257 1.00 0.00 O ATOM 1591 CB ALA A 103 -4.066 -1.016 3.649 1.00 0.00 C ATOM 0 H ALA A 103 -6.213 -2.192 3.356 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.473 0.409 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.244 -0.300 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.056 -1.575 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.950 -1.706 2.813 1.00 0.00 H new ATOM 1597 N LEU A 104 -5.876 -0.078 1.160 1.00 0.00 N ATOM 1598 CA LEU A 104 -5.990 0.596 -0.122 1.00 0.00 C ATOM 1599 C LEU A 104 -7.030 1.713 -0.016 1.00 0.00 C ATOM 1600 O LEU A 104 -6.718 2.881 -0.243 1.00 0.00 O ATOM 1601 CB LEU A 104 -6.283 -0.413 -1.234 1.00 0.00 C ATOM 1602 CG LEU A 104 -6.893 0.159 -2.515 1.00 0.00 C ATOM 1603 CD1 LEU A 104 -5.841 0.905 -3.338 1.00 0.00 C ATOM 1604 CD2 LEU A 104 -7.586 -0.936 -3.329 1.00 0.00 C ATOM 0 H LEU A 104 -6.136 -1.064 1.148 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.044 1.065 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.353 -0.919 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.960 -1.171 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.657 0.884 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.301 1.301 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.433 1.726 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.038 0.220 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.011 -0.503 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.860 -1.703 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.381 -1.384 -2.733 1.00 0.00 H new ATOM 1616 N ASN A 105 -8.246 1.316 0.331 1.00 0.00 N ATOM 1617 CA ASN A 105 -9.333 2.269 0.470 1.00 0.00 C ATOM 1618 C ASN A 105 -8.839 3.491 1.246 1.00 0.00 C ATOM 1619 O ASN A 105 -9.076 4.627 0.839 1.00 0.00 O ATOM 1620 CB ASN A 105 -10.504 1.659 1.244 1.00 0.00 C ATOM 1621 CG ASN A 105 -11.787 2.462 1.020 1.00 0.00 C ATOM 1622 OD1 ASN A 105 -11.794 3.506 0.389 1.00 0.00 O ATOM 1623 ND2 ASN A 105 -12.868 1.919 1.571 1.00 0.00 N ATOM 0 H ASN A 105 -8.502 0.347 0.520 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.667 2.548 -0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.656 0.627 0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.268 1.634 2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.774 2.379 1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.792 1.042 2.087 1.00 0.00 H new ATOM 1630 N ASN A 106 -8.160 3.216 2.351 1.00 0.00 N ATOM 1631 CA ASN A 106 -7.630 4.279 3.188 1.00 0.00 C ATOM 1632 C ASN A 106 -6.915 5.306 2.308 1.00 0.00 C ATOM 1633 O ASN A 106 -7.249 6.489 2.333 1.00 0.00 O ATOM 1634 CB ASN A 106 -6.617 3.732 4.196 1.00 0.00 C ATOM 1635 CG ASN A 106 -7.142 3.864 5.627 1.00 0.00 C ATOM 1636 OD1 ASN A 106 -8.268 4.268 5.868 1.00 0.00 O ATOM 1637 ND2 ASN A 106 -6.266 3.501 6.560 1.00 0.00 N ATOM 0 H ASN A 106 -7.965 2.272 2.686 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.463 4.734 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.409 2.685 3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.675 4.271 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.521 3.552 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.339 3.172 6.289 1.00 0.00 H new ATOM 1644 N PHE A 107 -5.944 4.816 1.551 1.00 0.00 N ATOM 1645 CA PHE A 107 -5.179 5.677 0.665 1.00 0.00 C ATOM 1646 C PHE A 107 -6.104 6.476 -0.256 1.00 0.00 C ATOM 1647 O PHE A 107 -5.912 7.676 -0.445 1.00 0.00 O ATOM 1648 CB PHE A 107 -4.292 4.767 -0.187 1.00 0.00 C ATOM 1649 CG PHE A 107 -3.209 5.510 -0.970 1.00 0.00 C ATOM 1650 CD1 PHE A 107 -2.562 6.565 -0.404 1.00 0.00 C ATOM 1651 CD2 PHE A 107 -2.892 5.117 -2.233 1.00 0.00 C ATOM 1652 CE1 PHE A 107 -1.557 7.255 -1.131 1.00 0.00 C ATOM 1653 CE2 PHE A 107 -1.886 5.808 -2.960 1.00 0.00 C ATOM 1654 CZ PHE A 107 -1.240 6.862 -2.394 1.00 0.00 C ATOM 0 H PHE A 107 -5.670 3.834 1.533 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.592 6.385 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.817 4.030 0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.920 4.217 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.813 6.877 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.405 4.280 -2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.044 8.092 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.634 5.496 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.475 7.387 -2.947 1.00 0.00 H new ATOM 1664 N GLN A 108 -7.087 5.778 -0.805 1.00 0.00 N ATOM 1665 CA GLN A 108 -8.041 6.407 -1.702 1.00 0.00 C ATOM 1666 C GLN A 108 -8.725 7.587 -1.007 1.00 0.00 C ATOM 1667 O GLN A 108 -8.597 8.729 -1.445 1.00 0.00 O ATOM 1668 CB GLN A 108 -9.072 5.394 -2.203 1.00 0.00 C ATOM 1669 CG GLN A 108 -8.505 4.559 -3.353 1.00 0.00 C ATOM 1670 CD GLN A 108 -9.627 4.011 -4.238 1.00 0.00 C ATOM 1671 OE1 GLN A 108 -10.673 4.617 -4.405 1.00 0.00 O ATOM 1672 NE2 GLN A 108 -9.353 2.833 -4.792 1.00 0.00 N ATOM 0 H GLN A 108 -7.243 4.783 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.500 6.785 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.370 4.738 -1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.969 5.917 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.830 5.170 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.917 3.733 -2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -8.457 2.380 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.039 2.383 -5.398 1.00 0.00 H new ATOM 1681 N ALA A 109 -9.435 7.269 0.066 1.00 0.00 N ATOM 1682 CA ALA A 109 -10.139 8.289 0.826 1.00 0.00 C ATOM 1683 C ALA A 109 -9.178 9.436 1.143 1.00 0.00 C ATOM 1684 O ALA A 109 -9.607 10.570 1.351 1.00 0.00 O ATOM 1685 CB ALA A 109 -10.737 7.663 2.088 1.00 0.00 C ATOM 0 H ALA A 109 -9.538 6.321 0.427 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.964 8.701 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.265 8.427 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.434 6.873 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.938 7.242 2.699 1.00 0.00 H new ATOM 1691 N VAL A 110 -7.896 9.102 1.170 1.00 0.00 N ATOM 1692 CA VAL A 110 -6.871 10.091 1.459 1.00 0.00 C ATOM 1693 C VAL A 110 -6.521 10.846 0.175 1.00 0.00 C ATOM 1694 O VAL A 110 -6.321 12.059 0.199 1.00 0.00 O ATOM 1695 CB VAL A 110 -5.659 9.415 2.104 1.00 0.00 C ATOM 1696 CG1 VAL A 110 -4.429 10.323 2.045 1.00 0.00 C ATOM 1697 CG2 VAL A 110 -5.966 9.000 3.544 1.00 0.00 C ATOM 0 H VAL A 110 -7.544 8.161 0.997 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.239 10.824 2.177 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.436 8.512 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.582 9.819 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.192 10.547 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.636 11.251 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.089 8.522 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.227 9.882 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.801 8.300 3.551 1.00 0.00 H new ATOM 1707 N GLN A 111 -6.457 10.096 -0.916 1.00 0.00 N ATOM 1708 CA GLN A 111 -6.135 10.679 -2.207 1.00 0.00 C ATOM 1709 C GLN A 111 -7.123 11.797 -2.547 1.00 0.00 C ATOM 1710 O GLN A 111 -6.739 12.819 -3.114 1.00 0.00 O ATOM 1711 CB GLN A 111 -6.118 9.611 -3.302 1.00 0.00 C ATOM 1712 CG GLN A 111 -7.427 9.617 -4.094 1.00 0.00 C ATOM 1713 CD GLN A 111 -7.503 8.413 -5.036 1.00 0.00 C ATOM 1714 OE1 GLN A 111 -6.833 7.409 -4.858 1.00 0.00 O ATOM 1715 NE2 GLN A 111 -8.354 8.570 -6.046 1.00 0.00 N ATOM 0 H GLN A 111 -6.623 9.090 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 111 -5.135 11.110 -2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -5.280 9.789 -3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.964 8.629 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.272 9.599 -3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.504 10.539 -4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.884 9.437 -6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.476 7.824 -6.730 1.00 0.00 H new ATOM 1724 N ARG A 112 -8.377 11.565 -2.185 1.00 0.00 N ATOM 1725 CA ARG A 112 -9.423 12.539 -2.444 1.00 0.00 C ATOM 1726 C ARG A 112 -9.271 13.742 -1.511 1.00 0.00 C ATOM 1727 O ARG A 112 -9.213 14.883 -1.967 1.00 0.00 O ATOM 1728 CB ARG A 112 -10.810 11.923 -2.249 1.00 0.00 C ATOM 1729 CG ARG A 112 -11.906 12.979 -2.404 1.00 0.00 C ATOM 1730 CD ARG A 112 -12.049 13.812 -1.129 1.00 0.00 C ATOM 1731 NE ARG A 112 -13.471 14.150 -0.902 1.00 0.00 N ATOM 1732 CZ ARG A 112 -14.412 13.256 -0.569 1.00 0.00 C ATOM 1733 NH1 ARG A 112 -14.086 11.964 -0.423 1.00 0.00 N ATOM 1734 NH2 ARG A 112 -15.678 13.652 -0.383 1.00 0.00 N ATOM 0 H ARG A 112 -8.691 10.716 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.325 12.864 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.963 11.126 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.875 11.469 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.671 13.632 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.854 12.493 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.658 13.257 -0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.459 14.724 -1.213 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.753 15.125 -1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.122 11.662 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.802 11.283 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.927 14.635 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.393 12.971 -0.130 1.00 0.00 H new ATOM 1748 N ARG A 113 -9.211 13.446 -0.221 1.00 0.00 N ATOM 1749 CA ARG A 113 -9.067 14.488 0.781 1.00 0.00 C ATOM 1750 C ARG A 113 -7.835 15.345 0.482 1.00 0.00 C ATOM 1751 O ARG A 113 -7.884 16.569 0.592 1.00 0.00 O ATOM 1752 CB ARG A 113 -8.936 13.891 2.183 1.00 0.00 C ATOM 1753 CG ARG A 113 -10.249 14.020 2.958 1.00 0.00 C ATOM 1754 CD ARG A 113 -9.987 14.353 4.429 1.00 0.00 C ATOM 1755 NE ARG A 113 -10.863 13.534 5.297 1.00 0.00 N ATOM 1756 CZ ARG A 113 -12.169 13.770 5.482 1.00 0.00 C ATOM 1757 NH1 ARG A 113 -12.759 14.801 4.861 1.00 0.00 N ATOM 1758 NH2 ARG A 113 -12.886 12.975 6.288 1.00 0.00 N ATOM 0 H ARG A 113 -9.260 12.498 0.154 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.963 15.108 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.654 12.841 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.138 14.398 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.865 14.799 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.811 13.089 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.941 14.165 4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.170 15.412 4.609 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.447 12.741 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.214 15.406 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.753 14.980 5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.438 12.190 6.761 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.880 13.155 6.429 1.00 0.00 H new ATOM 1772 N VAL A 114 -6.759 14.667 0.110 1.00 0.00 N ATOM 1773 CA VAL A 114 -5.516 15.351 -0.206 1.00 0.00 C ATOM 1774 C VAL A 114 -5.739 16.279 -1.401 1.00 0.00 C ATOM 1775 O VAL A 114 -5.271 17.417 -1.404 1.00 0.00 O ATOM 1776 CB VAL A 114 -4.402 14.329 -0.442 1.00 0.00 C ATOM 1777 CG1 VAL A 114 -3.118 15.016 -0.913 1.00 0.00 C ATOM 1778 CG2 VAL A 114 -4.149 13.494 0.814 1.00 0.00 C ATOM 0 H VAL A 114 -6.722 13.652 0.020 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.198 15.971 0.632 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.729 13.653 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.342 14.267 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.310 15.545 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.786 15.726 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.353 12.776 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.854 14.149 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.060 12.961 1.086 1.00 0.00 H new ATOM 1788 N SER A 115 -6.454 15.760 -2.389 1.00 0.00 N ATOM 1789 CA SER A 115 -6.744 16.528 -3.587 1.00 0.00 C ATOM 1790 C SER A 115 -7.521 17.794 -3.221 1.00 0.00 C ATOM 1791 O SER A 115 -7.110 18.901 -3.567 1.00 0.00 O ATOM 1792 CB SER A 115 -7.534 15.694 -4.598 1.00 0.00 C ATOM 1793 OG SER A 115 -6.728 14.687 -5.205 1.00 0.00 O ATOM 0 H SER A 115 -6.841 14.816 -2.384 1.00 0.00 H new ATOM 0 HA SER A 115 -5.798 16.810 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.383 15.227 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.939 16.348 -5.370 1.00 0.00 H new ATOM 0 HG SER A 115 -6.625 13.934 -4.587 1.00 0.00 H new ATOM 1799 N GLU A 116 -8.631 17.589 -2.527 1.00 0.00 N ATOM 1800 CA GLU A 116 -9.469 18.701 -2.111 1.00 0.00 C ATOM 1801 C GLU A 116 -8.612 19.814 -1.505 1.00 0.00 C ATOM 1802 O GLU A 116 -8.881 20.995 -1.718 1.00 0.00 O ATOM 1803 CB GLU A 116 -10.544 18.238 -1.125 1.00 0.00 C ATOM 1804 CG GLU A 116 -11.788 17.741 -1.864 1.00 0.00 C ATOM 1805 CD GLU A 116 -13.061 18.088 -1.089 1.00 0.00 C ATOM 1806 OE1 GLU A 116 -13.456 19.272 -1.148 1.00 0.00 O ATOM 1807 OE2 GLU A 116 -13.610 17.160 -0.455 1.00 0.00 O ATOM 0 H GLU A 116 -8.969 16.670 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.976 19.098 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.147 17.441 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.814 19.061 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.829 18.189 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.726 16.662 -2.004 1.00 0.00 H new ATOM 1814 N LYS A 117 -7.597 19.398 -0.761 1.00 0.00 N ATOM 1815 CA LYS A 117 -6.699 20.345 -0.123 1.00 0.00 C ATOM 1816 C LYS A 117 -6.014 21.194 -1.195 1.00 0.00 C ATOM 1817 O LYS A 117 -6.093 22.421 -1.164 1.00 0.00 O ATOM 1818 CB LYS A 117 -5.722 19.616 0.802 1.00 0.00 C ATOM 1819 CG LYS A 117 -5.021 20.599 1.743 1.00 0.00 C ATOM 1820 CD LYS A 117 -3.767 21.184 1.090 1.00 0.00 C ATOM 1821 CE LYS A 117 -2.648 20.143 1.022 1.00 0.00 C ATOM 1822 NZ LYS A 117 -1.591 20.580 0.084 1.00 0.00 N ATOM 0 H LYS A 117 -7.377 18.417 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.258 21.029 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.258 18.867 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.980 19.085 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.706 21.404 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.750 20.091 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.005 21.533 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.428 22.051 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.223 19.992 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.054 19.184 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.117 19.746 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.017 21.139 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.895 21.163 0.592 1.00 0.00 H new ATOM 1836 N GLU A 118 -5.358 20.507 -2.119 1.00 0.00 N ATOM 1837 CA GLU A 118 -4.660 21.183 -3.199 1.00 0.00 C ATOM 1838 C GLU A 118 -5.645 22.001 -4.038 1.00 0.00 C ATOM 1839 O GLU A 118 -5.240 22.889 -4.786 1.00 0.00 O ATOM 1840 CB GLU A 118 -3.898 20.183 -4.070 1.00 0.00 C ATOM 1841 CG GLU A 118 -2.570 19.790 -3.420 1.00 0.00 C ATOM 1842 CD GLU A 118 -1.426 20.665 -3.938 1.00 0.00 C ATOM 1843 OE1 GLU A 118 -1.387 21.846 -3.532 1.00 0.00 O ATOM 1844 OE2 GLU A 118 -0.617 20.131 -4.728 1.00 0.00 O ATOM 0 H GLU A 118 -5.295 19.489 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 118 -3.930 21.865 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.508 19.293 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.712 20.618 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.647 19.890 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.355 18.742 -3.629 1.00 0.00 H new