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 34 LYS NZ :NH3+ -129:sc= 1.04 (180deg=-0.0785) USER MOD Set 1.2: A 106 ASN : amide:sc= 0.911 K(o=1.9,f=-2.8) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 86 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Set 3.1: A 22 ASN : amide:sc= -1.98 K(o=-1.7,f=-4.4!) USER MOD Set 3.2: A 67 THR OG1 : rot 92:sc= 0.285 USER MOD Set 4.1: A 58 HIS : no HE2:sc= -0.888! K(o=-2.3!,f=-2.9) USER MOD Set 4.2: A 62 GLN : amide:sc= -1.44! C(o=-2.3!,f=-2.9!) 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= -0.149 K(o=-0.15,f=-0.77) USER MOD Single : A 18 THR OG1 : rot 104:sc= 0.327 USER MOD Single : A 19 CYS SG : rot -140:sc= -0.211 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.34) USER MOD Single : A 30 THR OG1 : rot 94:sc= 0.045 USER MOD Single : A 32 GLN : amide:sc= -1.92 X(o=-1.9,f=-2.2) USER MOD Single : A 35 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.7!) USER MOD Single : A 37 MET CE :methyl -120:sc= -4.85! (180deg=-6.98!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.37) USER MOD Single : A 55 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 57 GLN : amide:sc= -2.2 K(o=-2.2,f=-1.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -60:sc= -4.27! USER MOD Single : A 61 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0.67 (180deg=0.569) 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= -0.402 X(o=-0.4,f=-0.38) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 92 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.65) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 159:sc= -4.74! (180deg=-5.36!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.569 USER MOD Single : A 105 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.7!) USER MOD Single : A 108 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.3!) USER MOD Single : A 111 GLN : amide:sc= -0.57 K(o=-0.57,f=-2.9!) USER MOD Single : A 115 SER OG : rot 79:sc= 1.04 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N ASP A 11 9.215 -17.449 -3.037 1.00 0.00 N ATOM 127 CA ASP A 11 8.302 -18.454 -2.521 1.00 0.00 C ATOM 128 C ASP A 11 7.109 -17.762 -1.859 1.00 0.00 C ATOM 129 O ASP A 11 7.236 -16.651 -1.348 1.00 0.00 O ATOM 130 CB ASP A 11 8.985 -19.329 -1.467 1.00 0.00 C ATOM 131 CG ASP A 11 8.201 -20.577 -1.056 1.00 0.00 C ATOM 132 OD1 ASP A 11 7.285 -20.422 -0.219 1.00 0.00 O ATOM 133 OD2 ASP A 11 8.534 -21.658 -1.588 1.00 0.00 O ATOM 0 HA ASP A 11 7.981 -19.078 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.958 -19.639 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.169 -18.725 -0.579 1.00 0.00 H new ATOM 138 N PHE A 12 5.976 -18.448 -1.891 1.00 0.00 N ATOM 139 CA PHE A 12 4.760 -17.913 -1.301 1.00 0.00 C ATOM 140 C PHE A 12 5.074 -17.094 -0.047 1.00 0.00 C ATOM 141 O PHE A 12 4.774 -15.902 0.011 1.00 0.00 O ATOM 142 CB PHE A 12 3.889 -19.108 -0.909 1.00 0.00 C ATOM 143 CG PHE A 12 2.428 -18.749 -0.632 1.00 0.00 C ATOM 144 CD1 PHE A 12 2.072 -18.233 0.574 1.00 0.00 C ATOM 145 CD2 PHE A 12 1.486 -18.947 -1.593 1.00 0.00 C ATOM 146 CE1 PHE A 12 0.715 -17.900 0.831 1.00 0.00 C ATOM 147 CE2 PHE A 12 0.129 -18.614 -1.336 1.00 0.00 C ATOM 148 CZ PHE A 12 -0.227 -18.097 -0.129 1.00 0.00 C ATOM 0 H PHE A 12 5.874 -19.370 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 12 4.257 -17.259 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.925 -19.848 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.312 -19.577 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.820 -18.076 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.769 -19.357 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.432 -17.490 1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.620 -18.771 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.258 -17.843 0.066 1.00 0.00 H new ATOM 158 N SER A 13 5.674 -17.765 0.925 1.00 0.00 N ATOM 159 CA SER A 13 6.032 -17.114 2.174 1.00 0.00 C ATOM 160 C SER A 13 6.849 -15.852 1.891 1.00 0.00 C ATOM 161 O SER A 13 6.594 -14.799 2.473 1.00 0.00 O ATOM 162 CB SER A 13 6.816 -18.061 3.084 1.00 0.00 C ATOM 163 OG SER A 13 5.967 -18.742 4.004 1.00 0.00 O ATOM 0 H SER A 13 5.921 -18.753 0.873 1.00 0.00 H new ATOM 0 HA SER A 13 5.113 -16.836 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.349 -18.791 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.568 -17.495 3.635 1.00 0.00 H new ATOM 0 HG SER A 13 6.505 -19.338 4.566 1.00 0.00 H new ATOM 169 N SER A 14 7.815 -15.999 0.996 1.00 0.00 N ATOM 170 CA SER A 14 8.671 -14.884 0.628 1.00 0.00 C ATOM 171 C SER A 14 7.826 -13.737 0.070 1.00 0.00 C ATOM 172 O SER A 14 8.203 -12.572 0.182 1.00 0.00 O ATOM 173 CB SER A 14 9.725 -15.313 -0.394 1.00 0.00 C ATOM 174 OG SER A 14 10.640 -16.262 0.149 1.00 0.00 O ATOM 0 H SER A 14 8.024 -16.874 0.515 1.00 0.00 H new ATOM 0 HA SER A 14 9.190 -14.542 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.231 -15.743 -1.265 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.274 -14.437 -0.739 1.00 0.00 H new ATOM 0 HG SER A 14 11.296 -16.512 -0.535 1.00 0.00 H new ATOM 180 N ILE A 15 6.699 -14.108 -0.519 1.00 0.00 N ATOM 181 CA ILE A 15 5.797 -13.125 -1.095 1.00 0.00 C ATOM 182 C ILE A 15 4.846 -12.614 -0.011 1.00 0.00 C ATOM 183 O ILE A 15 4.447 -11.451 -0.028 1.00 0.00 O ATOM 184 CB ILE A 15 5.082 -13.705 -2.317 1.00 0.00 C ATOM 185 CG1 ILE A 15 6.074 -14.390 -3.259 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.261 -12.630 -3.033 1.00 0.00 C ATOM 187 CD1 ILE A 15 5.347 -15.290 -4.261 1.00 0.00 C ATOM 0 H ILE A 15 6.390 -15.076 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 15 6.356 -12.264 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 15 4.384 -14.469 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.652 -13.637 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.782 -14.983 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.763 -13.068 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.514 -12.227 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.921 -11.828 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.075 -15.765 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.789 -16.057 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.658 -14.690 -4.856 1.00 0.00 H new ATOM 199 N ILE A 16 4.510 -13.510 0.906 1.00 0.00 N ATOM 200 CA ILE A 16 3.613 -13.164 1.996 1.00 0.00 C ATOM 201 C ILE A 16 4.199 -11.988 2.779 1.00 0.00 C ATOM 202 O ILE A 16 3.648 -10.888 2.759 1.00 0.00 O ATOM 203 CB ILE A 16 3.320 -14.393 2.859 1.00 0.00 C ATOM 204 CG1 ILE A 16 2.554 -15.452 2.063 1.00 0.00 C ATOM 205 CG2 ILE A 16 2.588 -13.999 4.143 1.00 0.00 C ATOM 206 CD1 ILE A 16 1.046 -15.198 2.124 1.00 0.00 C ATOM 0 H ILE A 16 4.843 -14.474 0.917 1.00 0.00 H new ATOM 0 HA ILE A 16 2.648 -12.839 1.607 1.00 0.00 H new ATOM 0 HB ILE A 16 4.270 -14.838 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.886 -15.443 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.776 -16.442 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.392 -14.891 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.206 -13.308 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.644 -13.517 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.524 -15.964 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.713 -15.232 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.825 -14.217 1.704 1.00 0.00 H new ATOM 218 N GLN A 17 5.308 -12.260 3.451 1.00 0.00 N ATOM 219 CA GLN A 17 5.974 -11.237 4.240 1.00 0.00 C ATOM 220 C GLN A 17 5.928 -9.892 3.513 1.00 0.00 C ATOM 221 O GLN A 17 5.388 -8.918 4.036 1.00 0.00 O ATOM 222 CB GLN A 17 7.416 -11.641 4.555 1.00 0.00 C ATOM 223 CG GLN A 17 7.621 -11.811 6.062 1.00 0.00 C ATOM 224 CD GLN A 17 8.919 -11.143 6.518 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.298 -10.081 6.051 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.578 -11.821 7.453 1.00 0.00 N ATOM 0 H GLN A 17 5.762 -13.173 3.466 1.00 0.00 H new ATOM 0 HA GLN A 17 5.445 -11.134 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.656 -12.574 4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.101 -10.884 4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.777 -11.378 6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.647 -12.872 6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.205 -12.704 7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.457 -11.458 7.823 1.00 0.00 H new ATOM 235 N THR A 18 6.501 -9.881 2.319 1.00 0.00 N ATOM 236 CA THR A 18 6.532 -8.671 1.515 1.00 0.00 C ATOM 237 C THR A 18 5.132 -8.062 1.413 1.00 0.00 C ATOM 238 O THR A 18 4.966 -6.852 1.553 1.00 0.00 O ATOM 239 CB THR A 18 7.143 -9.021 0.156 1.00 0.00 C ATOM 240 OG1 THR A 18 8.435 -9.529 0.477 1.00 0.00 O ATOM 241 CG2 THR A 18 7.430 -7.782 -0.694 1.00 0.00 C ATOM 0 H THR A 18 6.948 -10.691 1.889 1.00 0.00 H new ATOM 0 HA THR A 18 7.153 -7.904 1.979 1.00 0.00 H new ATOM 0 HB THR A 18 6.468 -9.684 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.434 -10.505 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.862 -8.087 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.501 -7.241 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.131 -7.134 -0.168 1.00 0.00 H new ATOM 249 N CYS A 19 4.161 -8.930 1.168 1.00 0.00 N ATOM 250 CA CYS A 19 2.781 -8.493 1.046 1.00 0.00 C ATOM 251 C CYS A 19 2.359 -7.857 2.372 1.00 0.00 C ATOM 252 O CYS A 19 1.836 -6.743 2.391 1.00 0.00 O ATOM 253 CB CYS A 19 1.856 -9.645 0.646 1.00 0.00 C ATOM 254 SG CYS A 19 1.988 -9.957 -1.153 1.00 0.00 S ATOM 0 H CYS A 19 4.303 -9.933 1.051 1.00 0.00 H new ATOM 0 HA CYS A 19 2.700 -7.755 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.122 -10.545 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.826 -9.403 0.907 1.00 0.00 H new ATOM 0 HG CYS A 19 0.809 -10.213 -1.637 1.00 0.00 H new ATOM 260 N SER A 20 2.601 -8.591 3.448 1.00 0.00 N ATOM 261 CA SER A 20 2.253 -8.112 4.774 1.00 0.00 C ATOM 262 C SER A 20 2.917 -6.759 5.034 1.00 0.00 C ATOM 263 O SER A 20 2.234 -5.754 5.222 1.00 0.00 O ATOM 264 CB SER A 20 2.665 -9.120 5.849 1.00 0.00 C ATOM 265 OG SER A 20 1.948 -8.926 7.066 1.00 0.00 O ATOM 0 H SER A 20 3.034 -9.514 3.428 1.00 0.00 H new ATOM 0 HA SER A 20 1.171 -7.993 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.491 -10.132 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.734 -9.030 6.040 1.00 0.00 H new ATOM 0 HG SER A 20 2.238 -9.590 7.726 1.00 0.00 H new ATOM 271 N GLY A 21 4.242 -6.776 5.035 1.00 0.00 N ATOM 272 CA GLY A 21 5.006 -5.563 5.268 1.00 0.00 C ATOM 273 C GLY A 21 4.461 -4.402 4.433 1.00 0.00 C ATOM 274 O GLY A 21 4.071 -3.371 4.977 1.00 0.00 O ATOM 0 H GLY A 21 4.806 -7.611 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.969 -5.303 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.053 -5.735 5.018 1.00 0.00 H new ATOM 278 N ASN A 22 4.452 -4.611 3.124 1.00 0.00 N ATOM 279 CA ASN A 22 3.961 -3.595 2.209 1.00 0.00 C ATOM 280 C ASN A 22 2.690 -2.967 2.784 1.00 0.00 C ATOM 281 O ASN A 22 2.638 -1.758 3.009 1.00 0.00 O ATOM 282 CB ASN A 22 3.613 -4.202 0.848 1.00 0.00 C ATOM 283 CG ASN A 22 4.879 -4.527 0.053 1.00 0.00 C ATOM 284 OD1 ASN A 22 5.981 -4.139 0.405 1.00 0.00 O ATOM 285 ND2 ASN A 22 4.661 -5.257 -1.037 1.00 0.00 N ATOM 0 H ASN A 22 4.777 -5.468 2.676 1.00 0.00 H new ATOM 0 HA ASN A 22 4.745 -2.849 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.025 -5.109 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.993 -3.506 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.442 -5.525 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.713 -5.549 -1.274 1.00 0.00 H new ATOM 292 N ILE A 23 1.697 -3.815 3.006 1.00 0.00 N ATOM 293 CA ILE A 23 0.430 -3.358 3.552 1.00 0.00 C ATOM 294 C ILE A 23 0.695 -2.344 4.666 1.00 0.00 C ATOM 295 O ILE A 23 0.270 -1.193 4.578 1.00 0.00 O ATOM 296 CB ILE A 23 -0.424 -4.548 3.993 1.00 0.00 C ATOM 297 CG1 ILE A 23 -0.955 -5.321 2.784 1.00 0.00 C ATOM 298 CG2 ILE A 23 -1.551 -4.098 4.926 1.00 0.00 C ATOM 299 CD1 ILE A 23 -1.740 -6.557 3.225 1.00 0.00 C ATOM 0 H ILE A 23 1.744 -4.816 2.818 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.152 -2.845 2.786 1.00 0.00 H new ATOM 0 HB ILE A 23 0.209 -5.232 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.596 -4.673 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.124 -5.622 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.143 -4.963 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.124 -3.627 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.189 -3.383 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.106 -7.088 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.089 -7.215 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.585 -6.251 3.842 1.00 0.00 H new ATOM 311 N GLN A 24 1.398 -2.808 5.689 1.00 0.00 N ATOM 312 CA GLN A 24 1.725 -1.956 6.820 1.00 0.00 C ATOM 313 C GLN A 24 2.130 -0.563 6.335 1.00 0.00 C ATOM 314 O GLN A 24 1.472 0.426 6.656 1.00 0.00 O ATOM 315 CB GLN A 24 2.829 -2.581 7.676 1.00 0.00 C ATOM 316 CG GLN A 24 2.249 -3.209 8.945 1.00 0.00 C ATOM 317 CD GLN A 24 3.297 -3.260 10.059 1.00 0.00 C ATOM 318 OE1 GLN A 24 3.827 -4.305 10.400 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.564 -2.077 10.605 1.00 0.00 N ATOM 0 H GLN A 24 1.750 -3.763 5.758 1.00 0.00 H new ATOM 0 HA GLN A 24 0.837 -1.858 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.356 -3.340 7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.561 -1.819 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.386 -2.633 9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.895 -4.217 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.084 -1.241 10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.249 -2.005 11.357 1.00 0.00 H new ATOM 328 N ARG A 25 3.211 -0.528 5.570 1.00 0.00 N ATOM 329 CA ARG A 25 3.711 0.728 5.037 1.00 0.00 C ATOM 330 C ARG A 25 2.565 1.542 4.434 1.00 0.00 C ATOM 331 O ARG A 25 2.338 2.686 4.826 1.00 0.00 O ATOM 332 CB ARG A 25 4.776 0.487 3.966 1.00 0.00 C ATOM 333 CG ARG A 25 6.183 0.584 4.559 1.00 0.00 C ATOM 334 CD ARG A 25 6.906 -0.762 4.479 1.00 0.00 C ATOM 335 NE ARG A 25 7.843 -0.901 5.617 1.00 0.00 N ATOM 336 CZ ARG A 25 9.001 -0.235 5.722 1.00 0.00 C ATOM 337 NH1 ARG A 25 9.372 0.620 4.759 1.00 0.00 N ATOM 338 NH2 ARG A 25 9.788 -0.424 6.790 1.00 0.00 N ATOM 0 H ARG A 25 3.755 -1.350 5.306 1.00 0.00 H new ATOM 0 HA ARG A 25 4.160 1.282 5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.632 -0.497 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.664 1.218 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.756 1.341 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.122 0.907 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.181 -1.575 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.450 -0.837 3.538 1.00 0.00 H new ATOM 0 HE ARG A 25 7.591 -1.544 6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.773 0.764 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.253 1.127 4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.506 -1.075 7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.670 0.083 6.870 1.00 0.00 H new ATOM 352 N ILE A 26 1.874 0.922 3.490 1.00 0.00 N ATOM 353 CA ILE A 26 0.757 1.575 2.828 1.00 0.00 C ATOM 354 C ILE A 26 -0.077 2.327 3.867 1.00 0.00 C ATOM 355 O ILE A 26 -0.333 3.521 3.716 1.00 0.00 O ATOM 356 CB ILE A 26 -0.048 0.562 2.010 1.00 0.00 C ATOM 357 CG1 ILE A 26 0.813 -0.063 0.911 1.00 0.00 C ATOM 358 CG2 ILE A 26 -1.321 1.199 1.449 1.00 0.00 C ATOM 359 CD1 ILE A 26 0.315 -1.465 0.555 1.00 0.00 C ATOM 0 H ILE A 26 2.066 -0.026 3.167 1.00 0.00 H new ATOM 0 HA ILE A 26 1.118 2.314 2.112 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.358 -0.245 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.793 0.570 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.850 -0.115 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.875 0.458 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.941 1.557 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.055 2.036 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.944 -1.887 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.360 -2.102 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.714 -1.407 0.201 1.00 0.00 H new ATOM 371 N SER A 27 -0.476 1.598 4.899 1.00 0.00 N ATOM 372 CA SER A 27 -1.275 2.182 5.963 1.00 0.00 C ATOM 373 C SER A 27 -0.462 3.243 6.707 1.00 0.00 C ATOM 374 O SER A 27 -1.006 4.257 7.140 1.00 0.00 O ATOM 375 CB SER A 27 -1.764 1.109 6.937 1.00 0.00 C ATOM 376 OG SER A 27 -3.177 1.156 7.119 1.00 0.00 O ATOM 0 H SER A 27 -0.261 0.608 5.021 1.00 0.00 H new ATOM 0 HA SER A 27 -2.150 2.653 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.479 0.125 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.270 1.241 7.900 1.00 0.00 H new ATOM 0 HG SER A 27 -3.450 0.454 7.746 1.00 0.00 H new ATOM 382 N GLN A 28 0.829 2.973 6.832 1.00 0.00 N ATOM 383 CA GLN A 28 1.723 3.891 7.516 1.00 0.00 C ATOM 384 C GLN A 28 1.784 5.226 6.770 1.00 0.00 C ATOM 385 O GLN A 28 1.338 6.250 7.286 1.00 0.00 O ATOM 386 CB GLN A 28 3.120 3.285 7.670 1.00 0.00 C ATOM 387 CG GLN A 28 3.106 2.122 8.664 1.00 0.00 C ATOM 388 CD GLN A 28 4.364 2.130 9.534 1.00 0.00 C ATOM 389 OE1 GLN A 28 4.765 3.144 10.081 1.00 0.00 O ATOM 390 NE2 GLN A 28 4.962 0.946 9.631 1.00 0.00 N ATOM 0 H GLN A 28 1.277 2.131 6.471 1.00 0.00 H new ATOM 0 HA GLN A 28 1.330 4.073 8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.478 2.936 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.817 4.051 8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.221 2.190 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.039 1.178 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.573 0.137 9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.810 0.847 10.190 1.00 0.00 H new ATOM 399 N ALA A 29 2.340 5.172 5.569 1.00 0.00 N ATOM 400 CA ALA A 29 2.465 6.364 4.748 1.00 0.00 C ATOM 401 C ALA A 29 1.134 7.118 4.744 1.00 0.00 C ATOM 402 O ALA A 29 1.110 8.344 4.840 1.00 0.00 O ATOM 403 CB ALA A 29 2.916 5.969 3.340 1.00 0.00 C ATOM 0 H ALA A 29 2.709 4.321 5.145 1.00 0.00 H new ATOM 0 HA ALA A 29 3.221 7.034 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.010 6.863 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.880 5.463 3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.180 5.299 2.897 1.00 0.00 H new ATOM 409 N THR A 30 0.058 6.353 4.632 1.00 0.00 N ATOM 410 CA THR A 30 -1.274 6.933 4.615 1.00 0.00 C ATOM 411 C THR A 30 -1.521 7.740 5.891 1.00 0.00 C ATOM 412 O THR A 30 -2.239 8.739 5.869 1.00 0.00 O ATOM 413 CB THR A 30 -2.281 5.800 4.409 1.00 0.00 C ATOM 414 OG1 THR A 30 -2.236 5.546 3.007 1.00 0.00 O ATOM 415 CG2 THR A 30 -3.723 6.244 4.661 1.00 0.00 C ATOM 0 H THR A 30 0.082 5.336 4.552 1.00 0.00 H new ATOM 0 HA THR A 30 -1.386 7.640 3.793 1.00 0.00 H new ATOM 0 HB THR A 30 -2.035 4.972 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.594 4.828 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.396 5.402 4.501 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.821 6.597 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.981 7.050 3.974 1.00 0.00 H new ATOM 423 N ALA A 31 -0.912 7.277 6.973 1.00 0.00 N ATOM 424 CA ALA A 31 -1.056 7.944 8.256 1.00 0.00 C ATOM 425 C ALA A 31 -0.241 9.239 8.248 1.00 0.00 C ATOM 426 O ALA A 31 -0.687 10.260 8.768 1.00 0.00 O ATOM 427 CB ALA A 31 -0.630 6.993 9.376 1.00 0.00 C ATOM 0 H ALA A 31 -0.318 6.448 6.988 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.097 8.212 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.738 7.493 10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.259 6.103 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.411 6.704 9.232 1.00 0.00 H new ATOM 433 N GLN A 32 0.939 9.153 7.652 1.00 0.00 N ATOM 434 CA GLN A 32 1.821 10.305 7.570 1.00 0.00 C ATOM 435 C GLN A 32 1.108 11.471 6.880 1.00 0.00 C ATOM 436 O GLN A 32 1.184 12.609 7.340 1.00 0.00 O ATOM 437 CB GLN A 32 3.120 9.951 6.844 1.00 0.00 C ATOM 438 CG GLN A 32 4.214 9.557 7.839 1.00 0.00 C ATOM 439 CD GLN A 32 4.868 8.233 7.440 1.00 0.00 C ATOM 440 OE1 GLN A 32 4.213 7.223 7.240 1.00 0.00 O ATOM 441 NE2 GLN A 32 6.192 8.293 7.335 1.00 0.00 N ATOM 0 H GLN A 32 1.305 8.304 7.221 1.00 0.00 H new ATOM 0 HA GLN A 32 2.082 10.611 8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.941 9.129 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.453 10.802 6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.970 10.341 7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.787 9.469 8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.679 9.171 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.721 7.461 7.073 1.00 0.00 H new ATOM 450 N ILE A 33 0.432 11.146 5.788 1.00 0.00 N ATOM 451 CA ILE A 33 -0.293 12.152 5.031 1.00 0.00 C ATOM 452 C ILE A 33 -1.375 12.771 5.918 1.00 0.00 C ATOM 453 O ILE A 33 -1.564 13.986 5.917 1.00 0.00 O ATOM 454 CB ILE A 33 -0.833 11.556 3.729 1.00 0.00 C ATOM 455 CG1 ILE A 33 0.291 11.355 2.710 1.00 0.00 C ATOM 456 CG2 ILE A 33 -1.971 12.409 3.165 1.00 0.00 C ATOM 457 CD1 ILE A 33 0.336 9.906 2.222 1.00 0.00 C ATOM 0 H ILE A 33 0.371 10.201 5.410 1.00 0.00 H new ATOM 0 HA ILE A 33 0.376 12.959 4.733 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.247 10.572 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.142 12.024 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.247 11.620 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.336 11.963 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.783 12.457 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.605 13.416 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.143 9.791 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.510 9.242 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.613 9.651 1.750 1.00 0.00 H new ATOM 469 N LYS A 34 -2.057 11.906 6.655 1.00 0.00 N ATOM 470 CA LYS A 34 -3.115 12.353 7.545 1.00 0.00 C ATOM 471 C LYS A 34 -2.509 13.202 8.664 1.00 0.00 C ATOM 472 O LYS A 34 -3.129 14.158 9.128 1.00 0.00 O ATOM 473 CB LYS A 34 -3.929 11.160 8.050 1.00 0.00 C ATOM 474 CG LYS A 34 -4.907 10.671 6.980 1.00 0.00 C ATOM 475 CD LYS A 34 -5.667 9.431 7.457 1.00 0.00 C ATOM 476 CE LYS A 34 -5.035 8.154 6.900 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.652 6.959 7.518 1.00 0.00 N ATOM 0 H LYS A 34 -1.897 10.899 6.654 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.821 12.988 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.257 10.349 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.479 11.444 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.614 11.465 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.363 10.439 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.666 9.396 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.708 9.494 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.164 8.119 5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.962 8.158 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.906 6.332 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.269 7.253 8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.215 6.451 6.806 1.00 0.00 H new ATOM 491 N ASN A 35 -1.305 12.822 9.066 1.00 0.00 N ATOM 492 CA ASN A 35 -0.608 13.537 10.122 1.00 0.00 C ATOM 493 C ASN A 35 -0.091 14.869 9.575 1.00 0.00 C ATOM 494 O ASN A 35 -0.280 15.914 10.197 1.00 0.00 O ATOM 495 CB ASN A 35 0.593 12.736 10.630 1.00 0.00 C ATOM 496 CG ASN A 35 0.249 11.991 11.921 1.00 0.00 C ATOM 497 OD1 ASN A 35 -0.733 12.272 12.588 1.00 0.00 O ATOM 498 ND2 ASN A 35 1.110 11.028 12.236 1.00 0.00 N ATOM 0 H ASN A 35 -0.794 12.028 8.679 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.309 13.695 10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.908 12.023 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.434 13.407 10.806 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.968 10.473 13.080 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.912 10.844 11.634 1.00 0.00 H new ATOM 505 N LEU A 36 0.550 14.789 8.419 1.00 0.00 N ATOM 506 CA LEU A 36 1.095 15.975 7.782 1.00 0.00 C ATOM 507 C LEU A 36 -0.052 16.839 7.255 1.00 0.00 C ATOM 508 O LEU A 36 0.152 17.999 6.899 1.00 0.00 O ATOM 509 CB LEU A 36 2.115 15.586 6.709 1.00 0.00 C ATOM 510 CG LEU A 36 3.394 14.915 7.212 1.00 0.00 C ATOM 511 CD1 LEU A 36 4.058 14.098 6.101 1.00 0.00 C ATOM 512 CD2 LEU A 36 4.352 15.943 7.817 1.00 0.00 C ATOM 0 H LEU A 36 0.704 13.921 7.907 1.00 0.00 H new ATOM 0 HA LEU A 36 1.642 16.579 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.630 14.914 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.392 16.484 6.157 1.00 0.00 H new ATOM 0 HG LEU A 36 3.124 14.220 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.965 13.631 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.370 13.325 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.312 14.755 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.253 15.439 8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.619 16.681 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.867 16.443 8.656 1.00 0.00 H new ATOM 524 N MET A 37 -1.234 16.240 7.221 1.00 0.00 N ATOM 525 CA MET A 37 -2.414 16.940 6.743 1.00 0.00 C ATOM 526 C MET A 37 -2.737 18.142 7.634 1.00 0.00 C ATOM 527 O MET A 37 -2.605 19.288 7.209 1.00 0.00 O ATOM 528 CB MET A 37 -3.606 15.981 6.728 1.00 0.00 C ATOM 529 CG MET A 37 -4.361 16.066 5.400 1.00 0.00 C ATOM 530 SD MET A 37 -5.534 14.727 5.277 1.00 0.00 S ATOM 531 CE MET A 37 -4.653 13.644 4.165 1.00 0.00 C ATOM 0 H MET A 37 -1.399 15.278 7.517 1.00 0.00 H new ATOM 0 HA MET A 37 -2.215 17.302 5.734 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.258 14.960 6.888 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.281 16.221 7.550 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.879 17.022 5.328 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.657 16.021 4.569 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.246 13.488 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.698 14.096 3.897 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.477 12.686 4.654 1.00 0.00 H new ATOM 541 N SER A 38 -3.154 17.837 8.855 1.00 0.00 N ATOM 542 CA SER A 38 -3.497 18.878 9.809 1.00 0.00 C ATOM 543 C SER A 38 -2.520 20.048 9.681 1.00 0.00 C ATOM 544 O SER A 38 -2.937 21.202 9.587 1.00 0.00 O ATOM 545 CB SER A 38 -3.491 18.336 11.240 1.00 0.00 C ATOM 546 OG SER A 38 -4.774 18.433 11.853 1.00 0.00 O ATOM 0 H SER A 38 -3.262 16.885 9.205 1.00 0.00 H new ATOM 0 HA SER A 38 -4.505 19.229 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.171 17.294 11.232 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.763 18.888 11.834 1.00 0.00 H new ATOM 0 HG SER A 38 -4.729 18.075 12.764 1.00 0.00 H new ATOM 755 N ASN A 52 6.836 16.205 1.377 1.00 0.00 N ATOM 756 CA ASN A 52 6.746 15.007 2.193 1.00 0.00 C ATOM 757 C ASN A 52 5.497 14.217 1.795 1.00 0.00 C ATOM 758 O ASN A 52 5.565 13.007 1.583 1.00 0.00 O ATOM 759 CB ASN A 52 6.628 15.359 3.678 1.00 0.00 C ATOM 760 CG ASN A 52 7.686 14.622 4.501 1.00 0.00 C ATOM 761 OD1 ASN A 52 7.757 13.404 4.521 1.00 0.00 O ATOM 762 ND2 ASN A 52 8.501 15.425 5.178 1.00 0.00 N ATOM 0 HA ASN A 52 7.651 14.421 2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.743 16.435 3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.633 15.098 4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.241 15.029 5.758 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.387 16.437 5.117 1.00 0.00 H new ATOM 769 N LEU A 53 4.386 14.933 1.706 1.00 0.00 N ATOM 770 CA LEU A 53 3.125 14.314 1.336 1.00 0.00 C ATOM 771 C LEU A 53 3.318 13.493 0.060 1.00 0.00 C ATOM 772 O LEU A 53 3.131 12.278 0.065 1.00 0.00 O ATOM 773 CB LEU A 53 2.022 15.369 1.228 1.00 0.00 C ATOM 774 CG LEU A 53 1.805 16.243 2.465 1.00 0.00 C ATOM 775 CD1 LEU A 53 1.049 17.523 2.106 1.00 0.00 C ATOM 776 CD2 LEU A 53 1.106 15.456 3.576 1.00 0.00 C ATOM 0 H LEU A 53 4.333 15.936 1.884 1.00 0.00 H new ATOM 0 HA LEU A 53 2.798 13.622 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.251 16.020 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.085 14.863 0.996 1.00 0.00 H new ATOM 0 HG LEU A 53 2.781 16.543 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.908 18.126 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.622 18.091 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.077 17.266 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.964 16.100 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.137 15.107 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.719 14.600 3.856 1.00 0.00 H new ATOM 788 N GLN A 54 3.691 14.191 -1.003 1.00 0.00 N ATOM 789 CA GLN A 54 3.912 13.542 -2.284 1.00 0.00 C ATOM 790 C GLN A 54 4.769 12.288 -2.103 1.00 0.00 C ATOM 791 O GLN A 54 4.296 11.172 -2.318 1.00 0.00 O ATOM 792 CB GLN A 54 4.555 14.506 -3.283 1.00 0.00 C ATOM 793 CG GLN A 54 3.571 15.600 -3.701 1.00 0.00 C ATOM 794 CD GLN A 54 2.356 15.002 -4.413 1.00 0.00 C ATOM 795 OE1 GLN A 54 1.269 14.906 -3.867 1.00 0.00 O ATOM 796 NE2 GLN A 54 2.599 14.607 -5.659 1.00 0.00 N ATOM 0 H GLN A 54 3.846 15.199 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 54 2.945 13.242 -2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.441 14.959 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.887 13.955 -4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.245 16.156 -2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.070 16.310 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.532 14.716 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.852 14.195 -6.218 1.00 0.00 H new ATOM 805 N GLN A 55 6.014 12.512 -1.710 1.00 0.00 N ATOM 806 CA GLN A 55 6.941 11.414 -1.497 1.00 0.00 C ATOM 807 C GLN A 55 6.231 10.245 -0.810 1.00 0.00 C ATOM 808 O GLN A 55 6.296 9.111 -1.282 1.00 0.00 O ATOM 809 CB GLN A 55 8.156 11.870 -0.687 1.00 0.00 C ATOM 810 CG GLN A 55 9.443 11.729 -1.501 1.00 0.00 C ATOM 811 CD GLN A 55 10.250 10.512 -1.044 1.00 0.00 C ATOM 812 OE1 GLN A 55 9.804 9.378 -1.108 1.00 0.00 O ATOM 813 NE2 GLN A 55 11.460 10.810 -0.578 1.00 0.00 N ATOM 0 H GLN A 55 6.403 13.438 -1.533 1.00 0.00 H new ATOM 0 HA GLN A 55 7.301 11.075 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.026 12.909 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.232 11.278 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.200 11.632 -2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.046 12.631 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.772 11.781 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.076 10.068 -0.247 1.00 0.00 H new ATOM 822 N LEU A 56 5.570 10.563 0.293 1.00 0.00 N ATOM 823 CA LEU A 56 4.849 9.553 1.050 1.00 0.00 C ATOM 824 C LEU A 56 3.871 8.829 0.122 1.00 0.00 C ATOM 825 O LEU A 56 3.953 7.613 -0.044 1.00 0.00 O ATOM 826 CB LEU A 56 4.184 10.178 2.278 1.00 0.00 C ATOM 827 CG LEU A 56 5.094 10.415 3.485 1.00 0.00 C ATOM 828 CD1 LEU A 56 4.627 11.627 4.294 1.00 0.00 C ATOM 829 CD2 LEU A 56 5.198 9.156 4.349 1.00 0.00 C ATOM 0 H LEU A 56 5.518 11.505 0.681 1.00 0.00 H new ATOM 0 HA LEU A 56 5.538 8.802 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.747 11.133 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.362 9.534 2.589 1.00 0.00 H new ATOM 0 HG LEU A 56 6.096 10.638 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.291 11.773 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.646 12.515 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.611 11.457 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.850 9.352 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.207 8.878 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.611 8.340 3.755 1.00 0.00 H new ATOM 841 N GLN A 57 2.969 9.607 -0.457 1.00 0.00 N ATOM 842 CA GLN A 57 1.976 9.054 -1.363 1.00 0.00 C ATOM 843 C GLN A 57 2.648 8.154 -2.402 1.00 0.00 C ATOM 844 O GLN A 57 2.371 6.958 -2.464 1.00 0.00 O ATOM 845 CB GLN A 57 1.172 10.167 -2.040 1.00 0.00 C ATOM 846 CG GLN A 57 0.387 10.980 -1.009 1.00 0.00 C ATOM 847 CD GLN A 57 -0.233 12.224 -1.649 1.00 0.00 C ATOM 848 OE1 GLN A 57 -1.123 12.148 -2.480 1.00 0.00 O ATOM 849 NE2 GLN A 57 0.285 13.370 -1.217 1.00 0.00 N ATOM 0 H GLN A 57 2.905 10.615 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 57 1.280 8.449 -0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.845 10.824 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.485 9.734 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.398 10.361 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.048 11.277 -0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.029 13.362 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.062 14.257 -1.583 1.00 0.00 H new ATOM 858 N HIS A 58 3.519 8.765 -3.193 1.00 0.00 N ATOM 859 CA HIS A 58 4.233 8.034 -4.226 1.00 0.00 C ATOM 860 C HIS A 58 4.730 6.702 -3.661 1.00 0.00 C ATOM 861 O HIS A 58 4.404 5.639 -4.188 1.00 0.00 O ATOM 862 CB HIS A 58 5.359 8.886 -4.814 1.00 0.00 C ATOM 863 CG HIS A 58 5.618 8.634 -6.281 1.00 0.00 C ATOM 864 ND1 HIS A 58 5.772 9.655 -7.201 1.00 0.00 N ATOM 865 CD2 HIS A 58 5.748 7.467 -6.975 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.984 9.116 -8.393 1.00 0.00 C ATOM 867 NE2 HIS A 58 5.968 7.760 -8.251 1.00 0.00 N ATOM 0 H HIS A 58 3.746 9.758 -3.139 1.00 0.00 H new ATOM 0 HA HIS A 58 3.557 7.809 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.115 9.939 -4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.275 8.694 -4.256 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.730 10.653 -6.997 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.683 6.473 -6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.142 9.656 -9.315 1.00 0.00 H new ATOM 875 N SER A 59 5.512 6.802 -2.596 1.00 0.00 N ATOM 876 CA SER A 59 6.057 5.618 -1.954 1.00 0.00 C ATOM 877 C SER A 59 4.993 4.521 -1.887 1.00 0.00 C ATOM 878 O SER A 59 5.176 3.439 -2.441 1.00 0.00 O ATOM 879 CB SER A 59 6.575 5.942 -0.551 1.00 0.00 C ATOM 880 OG SER A 59 7.938 6.356 -0.567 1.00 0.00 O ATOM 0 H SER A 59 5.781 7.685 -2.162 1.00 0.00 H new ATOM 0 HA SER A 59 6.898 5.263 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.962 6.729 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.471 5.063 0.086 1.00 0.00 H new ATOM 0 HG SER A 59 8.230 6.555 0.347 1.00 0.00 H new ATOM 886 N THR A 60 3.903 4.840 -1.204 1.00 0.00 N ATOM 887 CA THR A 60 2.809 3.895 -1.058 1.00 0.00 C ATOM 888 C THR A 60 2.257 3.502 -2.429 1.00 0.00 C ATOM 889 O THR A 60 1.941 2.336 -2.665 1.00 0.00 O ATOM 890 CB THR A 60 1.760 4.524 -0.138 1.00 0.00 C ATOM 891 OG1 THR A 60 2.419 4.624 1.122 1.00 0.00 O ATOM 892 CG2 THR A 60 0.581 3.588 0.131 1.00 0.00 C ATOM 0 H THR A 60 3.754 5.739 -0.746 1.00 0.00 H new ATOM 0 HA THR A 60 3.148 2.966 -0.601 1.00 0.00 H new ATOM 0 HB THR A 60 1.394 5.449 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.684 3.730 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.134 4.083 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.094 3.337 -0.811 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.942 2.676 0.607 1.00 0.00 H new ATOM 900 N ASN A 61 2.157 4.497 -3.299 1.00 0.00 N ATOM 901 CA ASN A 61 1.648 4.269 -4.641 1.00 0.00 C ATOM 902 C ASN A 61 2.321 3.029 -5.233 1.00 0.00 C ATOM 903 O ASN A 61 1.650 2.050 -5.557 1.00 0.00 O ATOM 904 CB ASN A 61 1.957 5.457 -5.555 1.00 0.00 C ATOM 905 CG ASN A 61 0.764 5.779 -6.457 1.00 0.00 C ATOM 906 OD1 ASN A 61 -0.384 5.534 -6.123 1.00 0.00 O ATOM 907 ND2 ASN A 61 1.098 6.340 -7.616 1.00 0.00 N ATOM 0 H ASN A 61 2.420 5.462 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 61 0.568 4.135 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.207 6.329 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.830 5.232 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.373 6.593 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.079 6.518 -7.833 1.00 0.00 H new ATOM 914 N GLN A 62 3.637 3.112 -5.358 1.00 0.00 N ATOM 915 CA GLN A 62 4.408 2.009 -5.906 1.00 0.00 C ATOM 916 C GLN A 62 4.162 0.735 -5.095 1.00 0.00 C ATOM 917 O GLN A 62 3.743 -0.283 -5.643 1.00 0.00 O ATOM 918 CB GLN A 62 5.898 2.350 -5.951 1.00 0.00 C ATOM 919 CG GLN A 62 6.124 3.747 -6.533 1.00 0.00 C ATOM 920 CD GLN A 62 6.953 3.679 -7.817 1.00 0.00 C ATOM 921 OE1 GLN A 62 7.480 2.645 -8.193 1.00 0.00 O ATOM 922 NE2 GLN A 62 7.039 4.836 -8.468 1.00 0.00 N ATOM 0 H GLN A 62 4.189 3.926 -5.089 1.00 0.00 H new ATOM 0 HA GLN A 62 4.078 1.835 -6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.317 2.299 -4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.426 1.611 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.163 4.218 -6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.633 4.372 -5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.574 5.665 -8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.570 4.894 -9.337 1.00 0.00 H new ATOM 931 N LEU A 63 4.432 0.833 -3.801 1.00 0.00 N ATOM 932 CA LEU A 63 4.245 -0.298 -2.909 1.00 0.00 C ATOM 933 C LEU A 63 2.971 -1.048 -3.304 1.00 0.00 C ATOM 934 O LEU A 63 2.991 -2.266 -3.474 1.00 0.00 O ATOM 935 CB LEU A 63 4.261 0.162 -1.450 1.00 0.00 C ATOM 936 CG LEU A 63 5.610 0.075 -0.734 1.00 0.00 C ATOM 937 CD1 LEU A 63 5.618 0.941 0.527 1.00 0.00 C ATOM 938 CD2 LEU A 63 5.979 -1.379 -0.434 1.00 0.00 C ATOM 0 H LEU A 63 4.779 1.679 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 63 5.072 -1.001 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.918 1.196 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.538 -0.434 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 63 6.377 0.470 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.588 0.861 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.433 1.980 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.838 0.599 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.942 -1.412 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.216 -1.824 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.042 -1.938 -1.367 1.00 0.00 H new ATOM 950 N ALA A 64 1.893 -0.289 -3.439 1.00 0.00 N ATOM 951 CA ALA A 64 0.613 -0.867 -3.810 1.00 0.00 C ATOM 952 C ALA A 64 0.762 -1.618 -5.135 1.00 0.00 C ATOM 953 O ALA A 64 0.405 -2.791 -5.231 1.00 0.00 O ATOM 954 CB ALA A 64 -0.444 0.237 -3.882 1.00 0.00 C ATOM 0 H ALA A 64 1.880 0.721 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 64 0.284 -1.585 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.405 -0.197 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.532 0.720 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.149 0.975 -4.628 1.00 0.00 H new ATOM 960 N LYS A 65 1.291 -0.911 -6.123 1.00 0.00 N ATOM 961 CA LYS A 65 1.492 -1.496 -7.438 1.00 0.00 C ATOM 962 C LYS A 65 2.130 -2.878 -7.284 1.00 0.00 C ATOM 963 O LYS A 65 1.723 -3.831 -7.946 1.00 0.00 O ATOM 964 CB LYS A 65 2.292 -0.546 -8.331 1.00 0.00 C ATOM 965 CG LYS A 65 1.534 0.764 -8.554 1.00 0.00 C ATOM 966 CD LYS A 65 2.172 1.582 -9.679 1.00 0.00 C ATOM 967 CE LYS A 65 2.764 2.886 -9.141 1.00 0.00 C ATOM 968 NZ LYS A 65 4.162 3.048 -9.599 1.00 0.00 N ATOM 0 H LYS A 65 1.587 0.062 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 65 0.536 -1.639 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.259 -0.338 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.491 -1.024 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.494 0.549 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.530 1.347 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.954 0.995 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.425 1.805 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.164 3.731 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.730 2.886 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.549 3.938 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.734 2.250 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.186 3.070 -10.638 1.00 0.00 H new ATOM 982 N GLU A 66 3.120 -2.943 -6.406 1.00 0.00 N ATOM 983 CA GLU A 66 3.819 -4.193 -6.157 1.00 0.00 C ATOM 984 C GLU A 66 2.917 -5.161 -5.389 1.00 0.00 C ATOM 985 O GLU A 66 2.766 -6.318 -5.781 1.00 0.00 O ATOM 986 CB GLU A 66 5.128 -3.948 -5.403 1.00 0.00 C ATOM 987 CG GLU A 66 6.103 -3.129 -6.249 1.00 0.00 C ATOM 988 CD GLU A 66 7.533 -3.262 -5.722 1.00 0.00 C ATOM 989 OE1 GLU A 66 7.839 -2.564 -4.730 1.00 0.00 O ATOM 990 OE2 GLU A 66 8.287 -4.058 -6.321 1.00 0.00 O ATOM 0 H GLU A 66 3.455 -2.151 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 66 4.070 -4.644 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.922 -3.424 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.583 -4.902 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.061 -3.464 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.805 -2.081 -6.241 1.00 0.00 H new ATOM 997 N THR A 67 2.340 -4.654 -4.310 1.00 0.00 N ATOM 998 CA THR A 67 1.457 -5.459 -3.484 1.00 0.00 C ATOM 999 C THR A 67 0.427 -6.184 -4.354 1.00 0.00 C ATOM 1000 O THR A 67 0.319 -7.408 -4.304 1.00 0.00 O ATOM 1001 CB THR A 67 0.827 -4.544 -2.432 1.00 0.00 C ATOM 1002 OG1 THR A 67 1.921 -3.773 -1.943 1.00 0.00 O ATOM 1003 CG2 THR A 67 0.336 -5.313 -1.205 1.00 0.00 C ATOM 0 H THR A 67 2.467 -3.694 -3.988 1.00 0.00 H new ATOM 0 HA THR A 67 2.008 -6.243 -2.965 1.00 0.00 H new ATOM 0 HB THR A 67 -0.007 -4.000 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.992 -2.942 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.102 -4.616 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.416 -6.041 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.175 -5.830 -0.740 1.00 0.00 H new ATOM 1011 N ASN A 68 -0.303 -5.396 -5.130 1.00 0.00 N ATOM 1012 CA ASN A 68 -1.320 -5.947 -6.010 1.00 0.00 C ATOM 1013 C ASN A 68 -0.676 -6.966 -6.952 1.00 0.00 C ATOM 1014 O ASN A 68 -1.255 -8.015 -7.228 1.00 0.00 O ATOM 1015 CB ASN A 68 -1.962 -4.852 -6.864 1.00 0.00 C ATOM 1016 CG ASN A 68 -3.392 -5.229 -7.255 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -3.832 -6.355 -7.089 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -4.090 -4.228 -7.782 1.00 0.00 N ATOM 0 H ASN A 68 -0.211 -4.381 -5.168 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.085 -6.415 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.968 -3.912 -6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.366 -4.690 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.055 -4.378 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.660 -3.310 -7.893 1.00 0.00 H new ATOM 1025 N GLU A 69 0.515 -6.620 -7.421 1.00 0.00 N ATOM 1026 CA GLU A 69 1.244 -7.491 -8.327 1.00 0.00 C ATOM 1027 C GLU A 69 1.604 -8.803 -7.627 1.00 0.00 C ATOM 1028 O GLU A 69 1.488 -9.877 -8.215 1.00 0.00 O ATOM 1029 CB GLU A 69 2.496 -6.796 -8.867 1.00 0.00 C ATOM 1030 CG GLU A 69 2.217 -6.137 -10.219 1.00 0.00 C ATOM 1031 CD GLU A 69 3.135 -6.703 -11.304 1.00 0.00 C ATOM 1032 OE1 GLU A 69 2.744 -7.729 -11.901 1.00 0.00 O ATOM 1033 OE2 GLU A 69 4.208 -6.096 -11.512 1.00 0.00 O ATOM 0 H GLU A 69 0.992 -5.749 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 69 0.601 -7.720 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.834 -6.044 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.303 -7.522 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.176 -6.298 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.363 -5.060 -10.140 1.00 0.00 H new ATOM 1040 N LEU A 70 2.034 -8.673 -6.381 1.00 0.00 N ATOM 1041 CA LEU A 70 2.412 -9.835 -5.594 1.00 0.00 C ATOM 1042 C LEU A 70 1.164 -10.662 -5.281 1.00 0.00 C ATOM 1043 O LEU A 70 1.157 -11.878 -5.466 1.00 0.00 O ATOM 1044 CB LEU A 70 3.195 -9.409 -4.351 1.00 0.00 C ATOM 1045 CG LEU A 70 4.540 -8.726 -4.606 1.00 0.00 C ATOM 1046 CD1 LEU A 70 5.072 -8.068 -3.331 1.00 0.00 C ATOM 1047 CD2 LEU A 70 5.548 -9.707 -5.209 1.00 0.00 C ATOM 0 H LEU A 70 2.129 -7.781 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 70 3.086 -10.477 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.571 -8.732 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.369 -10.292 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 70 4.387 -7.932 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.029 -7.590 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.360 -7.319 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.206 -8.826 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.495 -9.196 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.703 -10.538 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.164 -10.087 -6.156 1.00 0.00 H new ATOM 1059 N LEU A 71 0.136 -9.969 -4.813 1.00 0.00 N ATOM 1060 CA LEU A 71 -1.116 -10.624 -4.472 1.00 0.00 C ATOM 1061 C LEU A 71 -1.606 -11.433 -5.675 1.00 0.00 C ATOM 1062 O LEU A 71 -2.400 -12.360 -5.521 1.00 0.00 O ATOM 1063 CB LEU A 71 -2.133 -9.602 -3.962 1.00 0.00 C ATOM 1064 CG LEU A 71 -1.900 -9.073 -2.546 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -2.820 -7.888 -2.245 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -2.048 -10.191 -1.511 1.00 0.00 C ATOM 0 H LEU A 71 0.144 -8.960 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.968 -11.328 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.142 -8.755 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.124 -10.055 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.875 -8.709 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.634 -7.531 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.623 -7.085 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.860 -8.203 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.877 -9.788 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.054 -10.608 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.319 -10.975 -1.715 1.00 0.00 H new ATOM 1078 N LYS A 72 -1.114 -11.052 -6.844 1.00 0.00 N ATOM 1079 CA LYS A 72 -1.492 -11.731 -8.072 1.00 0.00 C ATOM 1080 C LYS A 72 -0.539 -12.903 -8.317 1.00 0.00 C ATOM 1081 O LYS A 72 -0.955 -13.955 -8.799 1.00 0.00 O ATOM 1082 CB LYS A 72 -1.557 -10.738 -9.235 1.00 0.00 C ATOM 1083 CG LYS A 72 -0.418 -10.982 -10.228 1.00 0.00 C ATOM 1084 CD LYS A 72 -0.237 -9.782 -11.160 1.00 0.00 C ATOM 1085 CE LYS A 72 0.433 -10.201 -12.469 1.00 0.00 C ATOM 1086 NZ LYS A 72 1.861 -10.517 -12.243 1.00 0.00 N ATOM 0 H LYS A 72 -0.457 -10.282 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.495 -12.149 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.516 -10.832 -9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.498 -9.719 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.509 -11.169 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.628 -11.875 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.207 -9.332 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.367 -9.021 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.077 -11.071 -12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.344 -9.400 -13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.249 -10.989 -13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.387 -9.638 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.951 -11.146 -11.420 1.00 0.00 H new ATOM 1100 N GLU A 73 0.721 -12.681 -7.973 1.00 0.00 N ATOM 1101 CA GLU A 73 1.736 -13.706 -8.149 1.00 0.00 C ATOM 1102 C GLU A 73 1.618 -14.764 -7.050 1.00 0.00 C ATOM 1103 O GLU A 73 2.038 -15.905 -7.234 1.00 0.00 O ATOM 1104 CB GLU A 73 3.137 -13.092 -8.170 1.00 0.00 C ATOM 1105 CG GLU A 73 3.757 -13.093 -6.772 1.00 0.00 C ATOM 1106 CD GLU A 73 5.212 -12.619 -6.817 1.00 0.00 C ATOM 1107 OE1 GLU A 73 5.666 -12.286 -7.933 1.00 0.00 O ATOM 1108 OE2 GLU A 73 5.836 -12.600 -5.735 1.00 0.00 O ATOM 0 H GLU A 73 1.062 -11.807 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 73 1.572 -14.190 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.773 -13.653 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.085 -12.071 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.180 -12.444 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.711 -14.097 -6.350 1.00 0.00 H new ATOM 1115 N LEU A 74 1.044 -14.348 -5.930 1.00 0.00 N ATOM 1116 CA LEU A 74 0.865 -15.245 -4.802 1.00 0.00 C ATOM 1117 C LEU A 74 -0.064 -16.391 -5.209 1.00 0.00 C ATOM 1118 O LEU A 74 0.365 -17.540 -5.300 1.00 0.00 O ATOM 1119 CB LEU A 74 0.386 -14.471 -3.572 1.00 0.00 C ATOM 1120 CG LEU A 74 1.341 -14.452 -2.377 1.00 0.00 C ATOM 1121 CD1 LEU A 74 0.817 -13.534 -1.271 1.00 0.00 C ATOM 1122 CD2 LEU A 74 1.608 -15.870 -1.867 1.00 0.00 C ATOM 0 H LEU A 74 0.697 -13.401 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 74 1.817 -15.693 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.188 -13.441 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.563 -14.897 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 74 2.296 -14.044 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.514 -13.539 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.719 -12.519 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.157 -13.889 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.290 -15.829 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.669 -16.328 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.056 -16.465 -2.663 1.00 0.00 H new ATOM 1134 N GLY A 75 -1.319 -16.037 -5.442 1.00 0.00 N ATOM 1135 CA GLY A 75 -2.313 -17.021 -5.837 1.00 0.00 C ATOM 1136 C GLY A 75 -1.868 -17.776 -7.091 1.00 0.00 C ATOM 1137 O GLY A 75 -2.285 -18.911 -7.318 1.00 0.00 O ATOM 0 H GLY A 75 -1.671 -15.083 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.476 -17.726 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.266 -16.526 -6.025 1.00 0.00 H new ATOM 1141 N SER A 76 -1.027 -17.116 -7.874 1.00 0.00 N ATOM 1142 CA SER A 76 -0.521 -17.711 -9.099 1.00 0.00 C ATOM 1143 C SER A 76 0.244 -18.997 -8.780 1.00 0.00 C ATOM 1144 O SER A 76 0.140 -19.982 -9.509 1.00 0.00 O ATOM 1145 CB SER A 76 0.379 -16.732 -9.856 1.00 0.00 C ATOM 1146 OG SER A 76 0.234 -16.856 -11.268 1.00 0.00 O ATOM 0 H SER A 76 -0.683 -16.175 -7.684 1.00 0.00 H new ATOM 0 HA SER A 76 -1.371 -17.951 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.139 -15.712 -9.555 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.419 -16.909 -9.581 1.00 0.00 H new ATOM 0 HG SER A 76 0.823 -16.213 -11.715 1.00 0.00 H new ATOM 1152 N LEU A 77 0.995 -18.946 -7.690 1.00 0.00 N ATOM 1153 CA LEU A 77 1.777 -20.094 -7.265 1.00 0.00 C ATOM 1154 C LEU A 77 0.893 -21.343 -7.286 1.00 0.00 C ATOM 1155 O LEU A 77 -0.331 -21.243 -7.215 1.00 0.00 O ATOM 1156 CB LEU A 77 2.430 -19.826 -5.907 1.00 0.00 C ATOM 1157 CG LEU A 77 3.335 -18.595 -5.830 1.00 0.00 C ATOM 1158 CD1 LEU A 77 3.707 -18.277 -4.381 1.00 0.00 C ATOM 1159 CD2 LEU A 77 4.571 -18.767 -6.715 1.00 0.00 C ATOM 0 H LEU A 77 1.079 -18.127 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 77 2.599 -20.272 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.642 -19.720 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.016 -20.702 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 77 2.780 -17.739 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.351 -17.398 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.801 -18.081 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.235 -19.126 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.197 -17.878 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.137 -19.638 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.260 -18.908 -7.750 1.00 0.00 H new ATOM 1171 N PRO A 78 1.565 -22.521 -7.386 1.00 0.00 N ATOM 1172 CA PRO A 78 0.855 -23.788 -7.417 1.00 0.00 C ATOM 1173 C PRO A 78 0.338 -24.161 -6.026 1.00 0.00 C ATOM 1174 O PRO A 78 0.322 -23.328 -5.122 1.00 0.00 O ATOM 1175 CB PRO A 78 1.858 -24.789 -7.966 1.00 0.00 C ATOM 1176 CG PRO A 78 3.226 -24.150 -7.786 1.00 0.00 C ATOM 1177 CD PRO A 78 3.015 -22.678 -7.472 1.00 0.00 C ATOM 0 HA PRO A 78 -0.037 -23.755 -8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.796 -25.737 -7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.662 -25.002 -9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.772 -24.638 -6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.823 -24.266 -8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.500 -22.399 -6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.437 -22.043 -8.251 1.00 0.00 H new ATOM 1185 N LEU A 79 -0.070 -25.415 -5.899 1.00 0.00 N ATOM 1186 CA LEU A 79 -0.586 -25.909 -4.633 1.00 0.00 C ATOM 1187 C LEU A 79 0.239 -27.118 -4.188 1.00 0.00 C ATOM 1188 O LEU A 79 0.688 -27.908 -5.018 1.00 0.00 O ATOM 1189 CB LEU A 79 -2.086 -26.194 -4.740 1.00 0.00 C ATOM 1190 CG LEU A 79 -2.978 -24.986 -5.031 1.00 0.00 C ATOM 1191 CD1 LEU A 79 -3.913 -25.267 -6.209 1.00 0.00 C ATOM 1192 CD2 LEU A 79 -3.746 -24.558 -3.779 1.00 0.00 C ATOM 0 H LEU A 79 -0.054 -26.104 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.484 -25.150 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.240 -26.933 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.417 -26.649 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.340 -24.151 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.536 -24.393 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.322 -25.487 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.548 -26.122 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.373 -23.697 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.373 -25.381 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.040 -24.290 -2.993 1.00 0.00 H new ATOM 1204 N PRO A 80 0.419 -27.228 -2.845 1.00 0.00 N ATOM 1205 CA PRO A 80 1.183 -28.328 -2.279 1.00 0.00 C ATOM 1206 C PRO A 80 0.378 -29.629 -2.313 1.00 0.00 C ATOM 1207 O PRO A 80 -0.827 -29.611 -2.563 1.00 0.00 O ATOM 1208 CB PRO A 80 1.531 -27.881 -0.869 1.00 0.00 C ATOM 1209 CG PRO A 80 0.562 -26.758 -0.537 1.00 0.00 C ATOM 1210 CD PRO A 80 -0.097 -26.313 -1.832 1.00 0.00 C ATOM 0 HA PRO A 80 2.087 -28.548 -2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.431 -28.705 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.563 -27.536 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.189 -27.100 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.088 -25.925 -0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.183 -26.370 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.153 -25.279 -2.068 1.00 0.00 H new ATOM 1218 N LEU A 81 1.075 -30.726 -2.058 1.00 0.00 N ATOM 1219 CA LEU A 81 0.441 -32.033 -2.056 1.00 0.00 C ATOM 1220 C LEU A 81 -0.499 -32.137 -0.853 1.00 0.00 C ATOM 1221 O LEU A 81 -1.533 -32.800 -0.924 1.00 0.00 O ATOM 1222 CB LEU A 81 1.495 -33.140 -2.110 1.00 0.00 C ATOM 1223 CG LEU A 81 2.102 -33.422 -3.486 1.00 0.00 C ATOM 1224 CD1 LEU A 81 1.437 -34.633 -4.142 1.00 0.00 C ATOM 1225 CD2 LEU A 81 2.038 -32.180 -4.378 1.00 0.00 C ATOM 0 H LEU A 81 2.074 -30.737 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.169 -32.162 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.302 -32.879 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.046 -34.061 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 81 3.155 -33.668 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.887 -34.811 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.578 -35.511 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.371 -34.441 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.476 -32.407 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.998 -31.880 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.594 -31.367 -3.911 1.00 0.00 H new ATOM 1237 N SER A 82 -0.107 -31.471 0.223 1.00 0.00 N ATOM 1238 CA SER A 82 -0.901 -31.480 1.440 1.00 0.00 C ATOM 1239 C SER A 82 -1.985 -30.403 1.365 1.00 0.00 C ATOM 1240 O SER A 82 -1.776 -29.348 0.768 1.00 0.00 O ATOM 1241 CB SER A 82 -0.022 -31.265 2.673 1.00 0.00 C ATOM 1242 OG SER A 82 0.014 -32.416 3.511 1.00 0.00 O ATOM 0 H SER A 82 0.750 -30.921 0.277 1.00 0.00 H new ATOM 0 HA SER A 82 -1.375 -32.457 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.991 -31.015 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.397 -30.414 3.242 1.00 0.00 H new ATOM 0 HG SER A 82 0.587 -32.239 4.286 1.00 0.00 H new ATOM 1248 N THR A 83 -3.119 -30.705 1.980 1.00 0.00 N ATOM 1249 CA THR A 83 -4.235 -29.776 1.991 1.00 0.00 C ATOM 1250 C THR A 83 -4.049 -28.731 3.093 1.00 0.00 C ATOM 1251 O THR A 83 -4.267 -27.541 2.869 1.00 0.00 O ATOM 1252 CB THR A 83 -5.525 -30.587 2.134 1.00 0.00 C ATOM 1253 OG1 THR A 83 -5.520 -31.448 0.999 1.00 0.00 O ATOM 1254 CG2 THR A 83 -6.779 -29.731 1.947 1.00 0.00 C ATOM 0 H THR A 83 -3.289 -31.581 2.475 1.00 0.00 H new ATOM 0 HA THR A 83 -4.290 -29.213 1.059 1.00 0.00 H new ATOM 0 HB THR A 83 -5.551 -31.058 3.117 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.322 -32.012 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.666 -30.355 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.795 -28.940 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.771 -29.287 0.952 1.00 0.00 H new ATOM 1262 N SER A 84 -3.649 -29.214 4.260 1.00 0.00 N ATOM 1263 CA SER A 84 -3.432 -28.338 5.398 1.00 0.00 C ATOM 1264 C SER A 84 -2.731 -27.056 4.945 1.00 0.00 C ATOM 1265 O SER A 84 -2.984 -25.980 5.486 1.00 0.00 O ATOM 1266 CB SER A 84 -2.609 -29.036 6.483 1.00 0.00 C ATOM 1267 OG SER A 84 -3.263 -29.010 7.749 1.00 0.00 O ATOM 0 H SER A 84 -3.469 -30.201 4.442 1.00 0.00 H new ATOM 0 HA SER A 84 -4.403 -28.084 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.426 -30.070 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.636 -28.552 6.568 1.00 0.00 H new ATOM 0 HG SER A 84 -2.707 -29.467 8.414 1.00 0.00 H new ATOM 1273 N GLU A 85 -1.863 -27.212 3.955 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.124 -26.080 3.422 1.00 0.00 C ATOM 1275 C GLU A 85 -1.975 -25.324 2.399 1.00 0.00 C ATOM 1276 O GLU A 85 -1.998 -24.095 2.393 1.00 0.00 O ATOM 1277 CB GLU A 85 0.202 -26.532 2.807 1.00 0.00 C ATOM 1278 CG GLU A 85 1.205 -26.923 3.893 1.00 0.00 C ATOM 1279 CD GLU A 85 1.383 -25.793 4.909 1.00 0.00 C ATOM 1280 OE1 GLU A 85 2.124 -24.843 4.577 1.00 0.00 O ATOM 1281 OE2 GLU A 85 0.773 -25.905 5.995 1.00 0.00 O ATOM 0 H GLU A 85 -1.655 -28.105 3.508 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.893 -25.402 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.029 -27.380 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.616 -25.730 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.862 -27.824 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.166 -27.161 3.437 1.00 0.00 H new ATOM 1288 N GLN A 86 -2.653 -26.092 1.559 1.00 0.00 N ATOM 1289 CA GLN A 86 -3.503 -25.511 0.534 1.00 0.00 C ATOM 1290 C GLN A 86 -4.392 -24.421 1.136 1.00 0.00 C ATOM 1291 O GLN A 86 -4.520 -23.336 0.571 1.00 0.00 O ATOM 1292 CB GLN A 86 -4.345 -26.587 -0.156 1.00 0.00 C ATOM 1293 CG GLN A 86 -3.484 -27.444 -1.085 1.00 0.00 C ATOM 1294 CD GLN A 86 -4.193 -28.753 -1.437 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -5.324 -28.773 -1.895 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -3.469 -29.843 -1.199 1.00 0.00 N ATOM 0 H GLN A 86 -2.631 -27.112 1.567 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.865 -25.055 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.818 -27.220 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.146 -26.117 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.263 -26.889 -1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.530 -27.661 -0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.528 -29.756 -0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.855 -30.765 -1.401 1.00 0.00 H new ATOM 1305 N ARG A 87 -4.984 -24.748 2.276 1.00 0.00 N ATOM 1306 CA ARG A 87 -5.858 -23.811 2.961 1.00 0.00 C ATOM 1307 C ARG A 87 -5.049 -22.631 3.503 1.00 0.00 C ATOM 1308 O ARG A 87 -5.279 -21.486 3.117 1.00 0.00 O ATOM 1309 CB ARG A 87 -6.595 -24.490 4.117 1.00 0.00 C ATOM 1310 CG ARG A 87 -8.089 -24.163 4.081 1.00 0.00 C ATOM 1311 CD ARG A 87 -8.877 -25.277 3.389 1.00 0.00 C ATOM 1312 NE ARG A 87 -9.865 -25.857 4.326 1.00 0.00 N ATOM 1313 CZ ARG A 87 -10.931 -25.195 4.797 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -11.154 -23.929 4.421 1.00 0.00 N ATOM 1315 NH2 ARG A 87 -11.775 -25.801 5.644 1.00 0.00 N ATOM 0 H ARG A 87 -4.875 -25.649 2.742 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.591 -23.452 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.454 -25.569 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.170 -24.163 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.460 -24.027 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.246 -23.221 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.386 -24.881 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.195 -26.053 3.040 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.726 -26.820 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.512 -23.468 3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.965 -23.426 4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.606 -26.765 5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.586 -25.298 6.003 1.00 0.00 H new ATOM 1329 N GLN A 88 -4.118 -22.951 4.390 1.00 0.00 N ATOM 1330 CA GLN A 88 -3.274 -21.931 4.990 1.00 0.00 C ATOM 1331 C GLN A 88 -2.775 -20.958 3.919 1.00 0.00 C ATOM 1332 O GLN A 88 -2.517 -19.791 4.208 1.00 0.00 O ATOM 1333 CB GLN A 88 -2.103 -22.563 5.744 1.00 0.00 C ATOM 1334 CG GLN A 88 -2.593 -23.334 6.972 1.00 0.00 C ATOM 1335 CD GLN A 88 -3.315 -22.405 7.950 1.00 0.00 C ATOM 1336 OE1 GLN A 88 -2.778 -21.413 8.416 1.00 0.00 O ATOM 1337 NE2 GLN A 88 -4.559 -22.780 8.234 1.00 0.00 N ATOM 0 H GLN A 88 -3.930 -23.902 4.708 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.870 -21.372 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.560 -23.236 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.403 -21.786 6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.266 -24.133 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.747 -23.806 7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.948 -23.622 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.125 -22.226 8.877 1.00 0.00 H new ATOM 1346 N GLN A 89 -2.654 -21.475 2.705 1.00 0.00 N ATOM 1347 CA GLN A 89 -2.191 -20.666 1.591 1.00 0.00 C ATOM 1348 C GLN A 89 -3.257 -19.639 1.201 1.00 0.00 C ATOM 1349 O GLN A 89 -3.061 -18.438 1.381 1.00 0.00 O ATOM 1350 CB GLN A 89 -1.814 -21.545 0.396 1.00 0.00 C ATOM 1351 CG GLN A 89 -0.323 -21.888 0.417 1.00 0.00 C ATOM 1352 CD GLN A 89 0.112 -22.526 -0.904 1.00 0.00 C ATOM 1353 OE1 GLN A 89 -0.597 -22.504 -1.896 1.00 0.00 O ATOM 1354 NE2 GLN A 89 1.314 -23.094 -0.861 1.00 0.00 N ATOM 0 H GLN A 89 -2.869 -22.444 2.469 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.295 -20.130 1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.402 -22.462 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -2.059 -21.028 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.259 -20.984 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.115 -22.571 1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.856 -23.076 0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.694 -23.547 -1.692 1.00 0.00 H new ATOM 1363 N ARG A 90 -4.360 -20.149 0.674 1.00 0.00 N ATOM 1364 CA ARG A 90 -5.456 -19.291 0.258 1.00 0.00 C ATOM 1365 C ARG A 90 -5.951 -18.452 1.438 1.00 0.00 C ATOM 1366 O ARG A 90 -6.316 -17.290 1.267 1.00 0.00 O ATOM 1367 CB ARG A 90 -6.621 -20.115 -0.296 1.00 0.00 C ATOM 1368 CG ARG A 90 -7.119 -21.126 0.739 1.00 0.00 C ATOM 1369 CD ARG A 90 -8.100 -22.117 0.110 1.00 0.00 C ATOM 1370 NE ARG A 90 -9.449 -21.514 0.033 1.00 0.00 N ATOM 1371 CZ ARG A 90 -9.862 -20.721 -0.965 1.00 0.00 C ATOM 1372 NH1 ARG A 90 -9.032 -20.429 -1.976 1.00 0.00 N ATOM 1373 NH2 ARG A 90 -11.104 -20.219 -0.952 1.00 0.00 N ATOM 0 H ARG A 90 -4.518 -21.146 0.526 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.083 -18.635 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.437 -19.451 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.304 -20.639 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.272 -21.666 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.605 -20.601 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.759 -22.395 -0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.135 -23.032 0.701 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.106 -21.715 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.086 -20.810 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.346 -19.825 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.736 -20.440 -0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.418 -19.615 -1.712 1.00 0.00 H new ATOM 1387 N LEU A 91 -5.946 -19.073 2.608 1.00 0.00 N ATOM 1388 CA LEU A 91 -6.389 -18.397 3.816 1.00 0.00 C ATOM 1389 C LEU A 91 -5.588 -17.106 3.996 1.00 0.00 C ATOM 1390 O LEU A 91 -6.162 -16.023 4.092 1.00 0.00 O ATOM 1391 CB LEU A 91 -6.313 -19.342 5.017 1.00 0.00 C ATOM 1392 CG LEU A 91 -7.357 -20.459 5.059 1.00 0.00 C ATOM 1393 CD1 LEU A 91 -7.260 -21.252 6.364 1.00 0.00 C ATOM 1394 CD2 LEU A 91 -8.764 -19.903 4.830 1.00 0.00 C ATOM 0 H LEU A 91 -5.642 -20.037 2.746 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.438 -18.112 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.323 -19.797 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.407 -18.749 5.927 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.148 -21.153 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.013 -22.040 6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.269 -21.697 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.429 -20.584 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.487 -20.718 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.999 -19.176 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.810 -19.419 3.855 1.00 0.00 H new ATOM 1406 N GLN A 92 -4.273 -17.265 4.038 1.00 0.00 N ATOM 1407 CA GLN A 92 -3.386 -16.126 4.205 1.00 0.00 C ATOM 1408 C GLN A 92 -3.692 -15.057 3.154 1.00 0.00 C ATOM 1409 O GLN A 92 -4.020 -13.922 3.495 1.00 0.00 O ATOM 1410 CB GLN A 92 -1.920 -16.558 4.138 1.00 0.00 C ATOM 1411 CG GLN A 92 -1.509 -17.301 5.411 1.00 0.00 C ATOM 1412 CD GLN A 92 -1.466 -16.352 6.610 1.00 0.00 C ATOM 1413 OE1 GLN A 92 -2.447 -16.144 7.306 1.00 0.00 O ATOM 1414 NE2 GLN A 92 -0.278 -15.790 6.813 1.00 0.00 N ATOM 0 H GLN A 92 -3.800 -18.166 3.959 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.559 -15.697 5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.766 -17.201 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.285 -15.683 4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.213 -18.110 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.530 -17.758 5.269 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.502 -16.008 6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.147 -15.141 7.589 1.00 0.00 H new ATOM 1423 N LYS A 93 -3.573 -15.458 1.897 1.00 0.00 N ATOM 1424 CA LYS A 93 -3.832 -14.548 0.794 1.00 0.00 C ATOM 1425 C LYS A 93 -5.172 -13.846 1.021 1.00 0.00 C ATOM 1426 O LYS A 93 -5.245 -12.618 0.997 1.00 0.00 O ATOM 1427 CB LYS A 93 -3.745 -15.288 -0.543 1.00 0.00 C ATOM 1428 CG LYS A 93 -2.900 -14.505 -1.549 1.00 0.00 C ATOM 1429 CD LYS A 93 -3.406 -14.721 -2.977 1.00 0.00 C ATOM 1430 CE LYS A 93 -4.724 -13.980 -3.209 1.00 0.00 C ATOM 1431 NZ LYS A 93 -5.411 -14.507 -4.410 1.00 0.00 N ATOM 0 H LYS A 93 -3.301 -16.400 1.618 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.068 -13.772 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.310 -16.276 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.747 -15.440 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.930 -13.443 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.859 -14.819 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.658 -14.371 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.546 -15.786 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.368 -14.090 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.532 -12.914 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.304 -13.993 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.801 -14.380 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.611 -15.519 -4.279 1.00 0.00 H new ATOM 1445 N GLU A 94 -6.199 -14.655 1.237 1.00 0.00 N ATOM 1446 CA GLU A 94 -7.532 -14.126 1.469 1.00 0.00 C ATOM 1447 C GLU A 94 -7.470 -12.924 2.413 1.00 0.00 C ATOM 1448 O GLU A 94 -7.933 -11.837 2.072 1.00 0.00 O ATOM 1449 CB GLU A 94 -8.463 -15.209 2.020 1.00 0.00 C ATOM 1450 CG GLU A 94 -8.994 -16.099 0.895 1.00 0.00 C ATOM 1451 CD GLU A 94 -10.129 -15.407 0.137 1.00 0.00 C ATOM 1452 OE1 GLU A 94 -11.260 -15.425 0.669 1.00 0.00 O ATOM 1453 OE2 GLU A 94 -9.840 -14.876 -0.957 1.00 0.00 O ATOM 0 H GLU A 94 -6.135 -15.673 1.256 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.940 -13.792 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.927 -15.818 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.297 -14.744 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.185 -16.340 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.351 -17.042 1.310 1.00 0.00 H new ATOM 1460 N ARG A 95 -6.894 -13.160 3.583 1.00 0.00 N ATOM 1461 CA ARG A 95 -6.765 -12.110 4.579 1.00 0.00 C ATOM 1462 C ARG A 95 -5.926 -10.956 4.028 1.00 0.00 C ATOM 1463 O ARG A 95 -6.265 -9.789 4.222 1.00 0.00 O ATOM 1464 CB ARG A 95 -6.112 -12.641 5.857 1.00 0.00 C ATOM 1465 CG ARG A 95 -7.107 -13.461 6.681 1.00 0.00 C ATOM 1466 CD ARG A 95 -7.988 -12.552 7.540 1.00 0.00 C ATOM 1467 NE ARG A 95 -9.067 -13.343 8.172 1.00 0.00 N ATOM 1468 CZ ARG A 95 -10.151 -12.808 8.750 1.00 0.00 C ATOM 1469 NH1 ARG A 95 -10.307 -11.477 8.780 1.00 0.00 N ATOM 1470 NH2 ARG A 95 -11.080 -13.603 9.299 1.00 0.00 N ATOM 0 H ARG A 95 -6.511 -14.063 3.863 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.767 -11.754 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.251 -13.258 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.740 -11.808 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.732 -14.056 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.567 -14.159 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.385 -12.066 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.418 -11.762 6.925 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.980 -14.359 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.600 -10.871 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.132 -11.070 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.962 -14.616 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.905 -13.195 9.739 1.00 0.00 H new ATOM 1484 N LEU A 96 -4.847 -11.321 3.351 1.00 0.00 N ATOM 1485 CA LEU A 96 -3.957 -10.330 2.770 1.00 0.00 C ATOM 1486 C LEU A 96 -4.748 -9.442 1.808 1.00 0.00 C ATOM 1487 O LEU A 96 -4.666 -8.216 1.878 1.00 0.00 O ATOM 1488 CB LEU A 96 -2.746 -11.008 2.127 1.00 0.00 C ATOM 1489 CG LEU A 96 -1.631 -11.438 3.082 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -1.100 -12.825 2.717 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -0.516 -10.392 3.130 1.00 0.00 C ATOM 0 H LEU A 96 -4.569 -12.289 3.192 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.553 -9.679 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.093 -11.888 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.322 -10.326 1.389 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.050 -11.508 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.308 -13.106 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.910 -13.552 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.703 -12.807 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.264 -10.723 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.093 -10.265 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.923 -9.441 3.475 1.00 0.00 H new ATOM 1503 N MET A 97 -5.497 -10.095 0.931 1.00 0.00 N ATOM 1504 CA MET A 97 -6.302 -9.380 -0.045 1.00 0.00 C ATOM 1505 C MET A 97 -7.199 -8.345 0.637 1.00 0.00 C ATOM 1506 O MET A 97 -7.367 -7.235 0.134 1.00 0.00 O ATOM 1507 CB MET A 97 -7.168 -10.375 -0.820 1.00 0.00 C ATOM 1508 CG MET A 97 -6.307 -11.278 -1.705 1.00 0.00 C ATOM 1509 SD MET A 97 -6.517 -10.832 -3.420 1.00 0.00 S ATOM 1510 CE MET A 97 -6.221 -9.074 -3.322 1.00 0.00 C ATOM 0 H MET A 97 -5.563 -11.111 0.876 1.00 0.00 H new ATOM 0 HA MET A 97 -5.632 -8.858 -0.729 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.742 -10.984 -0.122 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.887 -9.834 -1.436 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.258 -11.185 -1.422 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.586 -12.321 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.944 -8.696 -4.306 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.126 -8.571 -2.981 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.411 -8.880 -2.618 1.00 0.00 H new ATOM 1520 N ASN A 98 -7.753 -8.746 1.773 1.00 0.00 N ATOM 1521 CA ASN A 98 -8.629 -7.867 2.529 1.00 0.00 C ATOM 1522 C ASN A 98 -7.783 -6.866 3.317 1.00 0.00 C ATOM 1523 O ASN A 98 -7.879 -5.659 3.100 1.00 0.00 O ATOM 1524 CB ASN A 98 -9.476 -8.659 3.527 1.00 0.00 C ATOM 1525 CG ASN A 98 -10.967 -8.511 3.220 1.00 0.00 C ATOM 1526 OD1 ASN A 98 -11.706 -7.835 3.916 1.00 0.00 O ATOM 1527 ND2 ASN A 98 -11.367 -9.178 2.141 1.00 0.00 N ATOM 0 H ASN A 98 -7.612 -9.667 2.187 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.285 -7.357 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.197 -9.712 3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.273 -8.310 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.345 -9.142 1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.696 -9.726 1.602 1.00 0.00 H new ATOM 1534 N ASP A 99 -6.972 -7.404 4.217 1.00 0.00 N ATOM 1535 CA ASP A 99 -6.109 -6.572 5.039 1.00 0.00 C ATOM 1536 C ASP A 99 -5.542 -5.435 4.187 1.00 0.00 C ATOM 1537 O ASP A 99 -5.645 -4.266 4.558 1.00 0.00 O ATOM 1538 CB ASP A 99 -4.933 -7.379 5.594 1.00 0.00 C ATOM 1539 CG ASP A 99 -5.265 -8.260 6.799 1.00 0.00 C ATOM 1540 OD1 ASP A 99 -5.688 -9.412 6.561 1.00 0.00 O ATOM 1541 OD2 ASP A 99 -5.088 -7.763 7.932 1.00 0.00 O ATOM 0 H ASP A 99 -6.894 -8.405 4.395 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.703 -6.184 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.538 -8.011 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.139 -6.688 5.876 1.00 0.00 H new ATOM 1546 N PHE A 100 -4.956 -5.816 3.062 1.00 0.00 N ATOM 1547 CA PHE A 100 -4.373 -4.842 2.155 1.00 0.00 C ATOM 1548 C PHE A 100 -5.380 -3.744 1.808 1.00 0.00 C ATOM 1549 O PHE A 100 -5.094 -2.559 1.975 1.00 0.00 O ATOM 1550 CB PHE A 100 -3.995 -5.592 0.876 1.00 0.00 C ATOM 1551 CG PHE A 100 -3.891 -4.699 -0.362 1.00 0.00 C ATOM 1552 CD1 PHE A 100 -2.753 -3.992 -0.596 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -4.936 -4.613 -1.228 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -2.656 -3.163 -1.745 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -4.839 -3.784 -2.377 1.00 0.00 C ATOM 1556 CZ PHE A 100 -3.701 -3.076 -2.611 1.00 0.00 C ATOM 0 H PHE A 100 -4.872 -6.786 2.758 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.508 -4.371 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.040 -6.094 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.737 -6.369 0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.923 -4.061 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.839 -5.175 -1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.752 -2.602 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.669 -3.716 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.628 -2.445 -3.484 1.00 0.00 H new ATOM 1566 N SER A 101 -6.539 -4.176 1.333 1.00 0.00 N ATOM 1567 CA SER A 101 -7.590 -3.244 0.962 1.00 0.00 C ATOM 1568 C SER A 101 -7.752 -2.178 2.048 1.00 0.00 C ATOM 1569 O SER A 101 -7.418 -1.014 1.835 1.00 0.00 O ATOM 1570 CB SER A 101 -8.916 -3.972 0.731 1.00 0.00 C ATOM 1571 OG SER A 101 -9.990 -3.364 1.443 1.00 0.00 O ATOM 0 H SER A 101 -6.773 -5.159 1.197 1.00 0.00 H new ATOM 0 HA SER A 101 -7.304 -2.761 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.145 -3.978 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.818 -5.012 1.042 1.00 0.00 H new ATOM 0 HG SER A 101 -10.819 -3.857 1.268 1.00 0.00 H new ATOM 1577 N ALA A 102 -8.265 -2.615 3.189 1.00 0.00 N ATOM 1578 CA ALA A 102 -8.475 -1.713 4.308 1.00 0.00 C ATOM 1579 C ALA A 102 -7.347 -0.680 4.344 1.00 0.00 C ATOM 1580 O ALA A 102 -7.588 0.499 4.602 1.00 0.00 O ATOM 1581 CB ALA A 102 -8.567 -2.521 5.605 1.00 0.00 C ATOM 0 H ALA A 102 -8.541 -3.581 3.362 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.414 -1.172 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.725 -1.844 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.401 -3.219 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.641 -3.075 5.755 1.00 0.00 H new ATOM 1587 N ALA A 103 -6.140 -1.159 4.083 1.00 0.00 N ATOM 1588 CA ALA A 103 -4.974 -0.292 4.082 1.00 0.00 C ATOM 1589 C ALA A 103 -4.959 0.533 2.794 1.00 0.00 C ATOM 1590 O ALA A 103 -4.837 1.756 2.837 1.00 0.00 O ATOM 1591 CB ALA A 103 -3.709 -1.136 4.249 1.00 0.00 C ATOM 0 H ALA A 103 -5.944 -2.137 3.871 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.013 0.405 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.835 -0.485 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.756 -1.679 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.634 -1.846 3.425 1.00 0.00 H new ATOM 1597 N LEU A 104 -5.084 -0.169 1.677 1.00 0.00 N ATOM 1598 CA LEU A 104 -5.086 0.483 0.379 1.00 0.00 C ATOM 1599 C LEU A 104 -6.221 1.508 0.330 1.00 0.00 C ATOM 1600 O LEU A 104 -5.988 2.684 0.055 1.00 0.00 O ATOM 1601 CB LEU A 104 -5.146 -0.556 -0.742 1.00 0.00 C ATOM 1602 CG LEU A 104 -5.645 -0.051 -2.098 1.00 0.00 C ATOM 1603 CD1 LEU A 104 -7.174 -0.043 -2.152 1.00 0.00 C ATOM 1604 CD2 LEU A 104 -5.052 1.321 -2.424 1.00 0.00 C ATOM 0 H LEU A 104 -5.185 -1.184 1.645 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.156 1.030 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.148 -0.974 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.793 -1.372 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.300 -0.742 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.502 0.320 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.549 -1.055 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.562 0.611 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.423 1.657 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.345 2.036 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.965 1.249 -2.457 1.00 0.00 H new ATOM 1616 N ASN A 105 -7.424 1.024 0.600 1.00 0.00 N ATOM 1617 CA ASN A 105 -8.596 1.884 0.590 1.00 0.00 C ATOM 1618 C ASN A 105 -8.288 3.168 1.363 1.00 0.00 C ATOM 1619 O ASN A 105 -8.631 4.262 0.918 1.00 0.00 O ATOM 1620 CB ASN A 105 -9.786 1.200 1.264 1.00 0.00 C ATOM 1621 CG ASN A 105 -11.093 1.533 0.540 1.00 0.00 C ATOM 1622 OD1 ASN A 105 -11.106 2.010 -0.583 1.00 0.00 O ATOM 1623 ND2 ASN A 105 -12.187 1.256 1.244 1.00 0.00 N ATOM 0 H ASN A 105 -7.613 0.048 0.827 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.846 2.102 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.634 0.121 1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.851 1.518 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.109 1.442 0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.104 0.857 2.179 1.00 0.00 H new ATOM 1630 N ASN A 106 -7.644 2.991 2.507 1.00 0.00 N ATOM 1631 CA ASN A 106 -7.286 4.122 3.347 1.00 0.00 C ATOM 1632 C ASN A 106 -6.540 5.160 2.505 1.00 0.00 C ATOM 1633 O ASN A 106 -6.967 6.310 2.410 1.00 0.00 O ATOM 1634 CB ASN A 106 -6.365 3.690 4.489 1.00 0.00 C ATOM 1635 CG ASN A 106 -6.995 4.001 5.849 1.00 0.00 C ATOM 1636 OD1 ASN A 106 -7.315 5.134 6.168 1.00 0.00 O ATOM 1637 ND2 ASN A 106 -7.154 2.936 6.628 1.00 0.00 N ATOM 0 H ASN A 106 -7.361 2.082 2.872 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.204 4.538 3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.163 2.622 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.407 4.203 4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.566 3.039 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.864 2.015 6.299 1.00 0.00 H new ATOM 1644 N PHE A 107 -5.439 4.717 1.917 1.00 0.00 N ATOM 1645 CA PHE A 107 -4.629 5.593 1.087 1.00 0.00 C ATOM 1646 C PHE A 107 -5.474 6.242 -0.011 1.00 0.00 C ATOM 1647 O PHE A 107 -5.253 7.399 -0.368 1.00 0.00 O ATOM 1648 CB PHE A 107 -3.551 4.724 0.438 1.00 0.00 C ATOM 1649 CG PHE A 107 -2.470 5.519 -0.298 1.00 0.00 C ATOM 1650 CD1 PHE A 107 -2.039 6.707 0.205 1.00 0.00 C ATOM 1651 CD2 PHE A 107 -1.941 5.038 -1.454 1.00 0.00 C ATOM 1652 CE1 PHE A 107 -1.037 7.445 -0.478 1.00 0.00 C ATOM 1653 CE2 PHE A 107 -0.938 5.776 -2.137 1.00 0.00 C ATOM 1654 CZ PHE A 107 -0.507 6.964 -1.635 1.00 0.00 C ATOM 0 H PHE A 107 -5.088 3.763 1.999 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.198 6.388 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.078 4.114 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.025 4.039 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.459 7.089 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.283 4.095 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.695 8.389 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.517 5.394 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.256 7.525 -2.154 1.00 0.00 H new ATOM 1664 N GLN A 108 -6.424 5.469 -0.517 1.00 0.00 N ATOM 1665 CA GLN A 108 -7.303 5.954 -1.568 1.00 0.00 C ATOM 1666 C GLN A 108 -8.147 7.123 -1.056 1.00 0.00 C ATOM 1667 O GLN A 108 -8.164 8.194 -1.663 1.00 0.00 O ATOM 1668 CB GLN A 108 -8.191 4.829 -2.102 1.00 0.00 C ATOM 1669 CG GLN A 108 -7.352 3.735 -2.764 1.00 0.00 C ATOM 1670 CD GLN A 108 -7.774 3.524 -4.219 1.00 0.00 C ATOM 1671 OE1 GLN A 108 -8.903 3.774 -4.608 1.00 0.00 O ATOM 1672 NE2 GLN A 108 -6.806 3.053 -5.001 1.00 0.00 N ATOM 0 H GLN A 108 -6.604 4.510 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 108 -6.688 6.310 -2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.773 4.402 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.902 5.233 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.297 4.006 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.463 2.802 -2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.882 2.865 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.988 2.880 -5.990 1.00 0.00 H new ATOM 1681 N ALA A 109 -8.827 6.880 0.054 1.00 0.00 N ATOM 1682 CA ALA A 109 -9.671 7.899 0.654 1.00 0.00 C ATOM 1683 C ALA A 109 -8.816 9.116 1.014 1.00 0.00 C ATOM 1684 O ALA A 109 -9.334 10.222 1.158 1.00 0.00 O ATOM 1685 CB ALA A 109 -10.393 7.314 1.869 1.00 0.00 C ATOM 0 H ALA A 109 -8.811 5.991 0.554 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.434 8.229 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.026 8.079 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.009 6.471 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.659 6.975 2.600 1.00 0.00 H new ATOM 1691 N VAL A 110 -7.521 8.870 1.150 1.00 0.00 N ATOM 1692 CA VAL A 110 -6.590 9.932 1.490 1.00 0.00 C ATOM 1693 C VAL A 110 -6.103 10.608 0.207 1.00 0.00 C ATOM 1694 O VAL A 110 -5.799 11.800 0.206 1.00 0.00 O ATOM 1695 CB VAL A 110 -5.448 9.373 2.342 1.00 0.00 C ATOM 1696 CG1 VAL A 110 -4.262 10.340 2.371 1.00 0.00 C ATOM 1697 CG2 VAL A 110 -5.928 9.050 3.758 1.00 0.00 C ATOM 0 H VAL A 110 -7.095 7.951 1.031 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.084 10.695 2.092 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.111 8.444 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.464 9.919 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.896 10.498 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.580 11.293 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.097 8.654 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.304 9.957 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.725 8.308 3.712 1.00 0.00 H new ATOM 1707 N GLN A 111 -6.043 9.818 -0.855 1.00 0.00 N ATOM 1708 CA GLN A 111 -5.598 10.325 -2.142 1.00 0.00 C ATOM 1709 C GLN A 111 -6.615 11.324 -2.699 1.00 0.00 C ATOM 1710 O GLN A 111 -6.240 12.307 -3.335 1.00 0.00 O ATOM 1711 CB GLN A 111 -5.356 9.181 -3.128 1.00 0.00 C ATOM 1712 CG GLN A 111 -6.535 9.028 -4.091 1.00 0.00 C ATOM 1713 CD GLN A 111 -6.451 7.706 -4.856 1.00 0.00 C ATOM 1714 OE1 GLN A 111 -5.755 6.780 -4.472 1.00 0.00 O ATOM 1715 NE2 GLN A 111 -7.196 7.669 -5.957 1.00 0.00 N ATOM 0 H GLN A 111 -6.295 8.830 -0.850 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.650 10.843 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.443 9.370 -3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.206 8.250 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.471 9.071 -3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.544 9.860 -4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.756 8.480 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.208 6.830 -6.537 1.00 0.00 H new ATOM 1724 N ARG A 112 -7.882 11.036 -2.439 1.00 0.00 N ATOM 1725 CA ARG A 112 -8.956 11.896 -2.907 1.00 0.00 C ATOM 1726 C ARG A 112 -9.076 13.130 -2.010 1.00 0.00 C ATOM 1727 O ARG A 112 -9.479 14.198 -2.468 1.00 0.00 O ATOM 1728 CB ARG A 112 -10.292 11.151 -2.921 1.00 0.00 C ATOM 1729 CG ARG A 112 -10.819 10.943 -1.500 1.00 0.00 C ATOM 1730 CD ARG A 112 -11.881 11.987 -1.150 1.00 0.00 C ATOM 1731 NE ARG A 112 -12.701 11.513 -0.012 1.00 0.00 N ATOM 1732 CZ ARG A 112 -13.666 10.589 -0.115 1.00 0.00 C ATOM 1733 NH1 ARG A 112 -13.939 10.034 -1.303 1.00 0.00 N ATOM 1734 NH2 ARG A 112 -14.358 10.221 0.972 1.00 0.00 N ATOM 0 H ARG A 112 -8.189 10.219 -1.910 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.715 12.204 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.021 11.715 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.169 10.186 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.243 9.943 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.994 11.006 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.403 12.933 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.518 12.174 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.520 11.915 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.412 10.315 -2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.674 9.331 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.150 10.644 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.093 9.518 0.895 1.00 0.00 H new ATOM 1748 N ARG A 113 -8.721 12.941 -0.747 1.00 0.00 N ATOM 1749 CA ARG A 113 -8.784 14.025 0.218 1.00 0.00 C ATOM 1750 C ARG A 113 -7.574 14.947 0.061 1.00 0.00 C ATOM 1751 O ARG A 113 -7.664 16.145 0.325 1.00 0.00 O ATOM 1752 CB ARG A 113 -8.823 13.486 1.650 1.00 0.00 C ATOM 1753 CG ARG A 113 -10.243 13.541 2.218 1.00 0.00 C ATOM 1754 CD ARG A 113 -10.283 14.356 3.513 1.00 0.00 C ATOM 1755 NE ARG A 113 -11.431 13.928 4.344 1.00 0.00 N ATOM 1756 CZ ARG A 113 -11.961 14.666 5.329 1.00 0.00 C ATOM 1757 NH1 ARG A 113 -11.450 15.872 5.612 1.00 0.00 N ATOM 1758 NH2 ARG A 113 -13.002 14.197 6.031 1.00 0.00 N ATOM 0 H ARG A 113 -8.389 12.053 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.699 14.585 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.461 12.458 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.152 14.070 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.916 13.984 1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.602 12.530 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.353 14.222 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.366 15.418 3.282 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.844 13.015 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.658 16.228 5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.853 16.434 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.390 13.279 5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.406 14.758 6.781 1.00 0.00 H new ATOM 1772 N VAL A 114 -6.470 14.354 -0.369 1.00 0.00 N ATOM 1773 CA VAL A 114 -5.243 15.108 -0.564 1.00 0.00 C ATOM 1774 C VAL A 114 -5.421 16.066 -1.744 1.00 0.00 C ATOM 1775 O VAL A 114 -5.221 17.272 -1.604 1.00 0.00 O ATOM 1776 CB VAL A 114 -4.064 14.150 -0.745 1.00 0.00 C ATOM 1777 CG1 VAL A 114 -2.835 14.889 -1.279 1.00 0.00 C ATOM 1778 CG2 VAL A 114 -3.742 13.424 0.563 1.00 0.00 C ATOM 0 H VAL A 114 -6.399 13.360 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.022 15.712 0.316 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.351 13.400 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.011 14.186 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.071 15.339 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.546 15.670 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.900 12.749 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.484 14.154 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.612 12.851 0.885 1.00 0.00 H new ATOM 1788 N SER A 115 -5.795 15.494 -2.879 1.00 0.00 N ATOM 1789 CA SER A 115 -6.002 16.282 -4.082 1.00 0.00 C ATOM 1790 C SER A 115 -6.878 17.496 -3.767 1.00 0.00 C ATOM 1791 O SER A 115 -6.509 18.629 -4.073 1.00 0.00 O ATOM 1792 CB SER A 115 -6.639 15.440 -5.189 1.00 0.00 C ATOM 1793 OG SER A 115 -5.987 14.183 -5.346 1.00 0.00 O ATOM 0 H SER A 115 -5.960 14.494 -2.991 1.00 0.00 H new ATOM 0 HA SER A 115 -5.031 16.625 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.692 15.276 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 115 -6.600 15.989 -6.130 1.00 0.00 H new ATOM 0 HG SER A 115 -6.288 13.569 -4.644 1.00 0.00 H new ATOM 1799 N GLU A 116 -8.023 17.219 -3.161 1.00 0.00 N ATOM 1800 CA GLU A 116 -8.955 18.274 -2.802 1.00 0.00 C ATOM 1801 C GLU A 116 -8.238 19.366 -2.005 1.00 0.00 C ATOM 1802 O GLU A 116 -8.384 20.551 -2.299 1.00 0.00 O ATOM 1803 CB GLU A 116 -10.143 17.713 -2.018 1.00 0.00 C ATOM 1804 CG GLU A 116 -11.405 17.685 -2.881 1.00 0.00 C ATOM 1805 CD GLU A 116 -12.657 17.910 -2.030 1.00 0.00 C ATOM 1806 OE1 GLU A 116 -12.554 18.700 -1.068 1.00 0.00 O ATOM 1807 OE2 GLU A 116 -13.688 17.286 -2.362 1.00 0.00 O ATOM 0 H GLU A 116 -8.327 16.278 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.344 18.716 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.912 16.705 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.318 18.322 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.341 18.455 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.477 16.726 -3.394 1.00 0.00 H new ATOM 1814 N LYS A 117 -7.480 18.928 -1.011 1.00 0.00 N ATOM 1815 CA LYS A 117 -6.740 19.853 -0.169 1.00 0.00 C ATOM 1816 C LYS A 117 -5.871 20.753 -1.050 1.00 0.00 C ATOM 1817 O LYS A 117 -5.979 21.977 -0.991 1.00 0.00 O ATOM 1818 CB LYS A 117 -5.953 19.093 0.900 1.00 0.00 C ATOM 1819 CG LYS A 117 -5.278 20.060 1.875 1.00 0.00 C ATOM 1820 CD LYS A 117 -6.051 20.141 3.192 1.00 0.00 C ATOM 1821 CE LYS A 117 -6.576 21.557 3.434 1.00 0.00 C ATOM 1822 NZ LYS A 117 -5.852 22.193 4.558 1.00 0.00 N ATOM 0 H LYS A 117 -7.362 17.944 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.424 20.504 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.623 18.429 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.199 18.465 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.257 19.732 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.215 21.051 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.884 19.439 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.403 19.844 4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.455 22.155 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.643 21.523 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.221 23.154 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.988 21.630 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.838 22.243 4.334 1.00 0.00 H new ATOM 1836 N GLU A 118 -5.028 20.112 -1.846 1.00 0.00 N ATOM 1837 CA GLU A 118 -4.141 20.839 -2.738 1.00 0.00 C ATOM 1838 C GLU A 118 -4.953 21.639 -3.759 1.00 0.00 C ATOM 1839 O GLU A 118 -4.412 22.502 -4.449 1.00 0.00 O ATOM 1840 CB GLU A 118 -3.166 19.889 -3.436 1.00 0.00 C ATOM 1841 CG GLU A 118 -1.965 19.580 -2.540 1.00 0.00 C ATOM 1842 CD GLU A 118 -0.843 20.598 -2.757 1.00 0.00 C ATOM 1843 OE1 GLU A 118 -1.184 21.778 -2.991 1.00 0.00 O ATOM 1844 OE2 GLU A 118 0.330 20.173 -2.683 1.00 0.00 O ATOM 0 H GLU A 118 -4.940 19.097 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 118 -3.553 21.538 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.678 18.963 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.823 20.336 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.274 19.591 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.597 18.576 -2.753 1.00 0.00 H new