USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 18 ASN : amide:sc= 0.692 K(o=1.7,f=-5.4!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 149:sc= 1 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.677 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.0409 (180deg=-0.236) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00752 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.464 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00429 USER MOD Single : A 57 THR OG1 : rot -49:sc= 0.572 USER MOD Single : A 60 SER OG : rot 86:sc= 1.36 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 154:sc= -0.289 (180deg=-0.92) USER MOD Single : A 72 ASN : amide:sc= 0.971 K(o=0.97,f=-0.64) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -150:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -2.415 9.759 1.874 1.00 0.00 N ATOM 134 CA GLY A 10 -2.336 8.848 0.739 1.00 0.00 C ATOM 135 C GLY A 10 -1.869 7.451 1.149 1.00 0.00 C ATOM 136 O GLY A 10 -1.046 6.836 0.468 1.00 0.00 O ATOM 0 HA2 GLY A 10 -3.314 8.777 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.650 9.255 -0.004 1.00 0.00 H new ATOM 140 N LYS A 11 -2.382 6.939 2.270 1.00 0.00 N ATOM 141 CA LYS A 11 -2.090 5.588 2.714 1.00 0.00 C ATOM 142 C LYS A 11 -2.769 4.586 1.797 1.00 0.00 C ATOM 143 O LYS A 11 -3.930 4.782 1.408 1.00 0.00 O ATOM 144 CB LYS A 11 -2.549 5.392 4.163 1.00 0.00 C ATOM 145 CG LYS A 11 -1.640 6.165 5.133 1.00 0.00 C ATOM 146 CD LYS A 11 -1.819 5.669 6.571 1.00 0.00 C ATOM 147 CE LYS A 11 -3.142 6.156 7.162 1.00 0.00 C ATOM 148 NZ LYS A 11 -3.350 5.624 8.521 1.00 0.00 N ATOM 0 H LYS A 11 -3.009 7.453 2.889 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.013 5.426 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.578 5.733 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.536 4.331 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.599 6.048 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.869 7.229 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.788 4.580 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.991 6.022 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.151 7.246 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.966 5.847 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.256 5.972 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.365 4.585 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.576 5.940 9.140 1.00 0.00 H new ATOM 162 N LEU A 12 -2.071 3.493 1.497 1.00 0.00 N ATOM 163 CA LEU A 12 -2.629 2.346 0.807 1.00 0.00 C ATOM 164 C LEU A 12 -2.986 1.240 1.791 1.00 0.00 C ATOM 165 O LEU A 12 -2.639 1.282 2.963 1.00 0.00 O ATOM 166 CB LEU A 12 -1.652 1.845 -0.283 1.00 0.00 C ATOM 167 CG LEU A 12 -1.881 2.469 -1.668 1.00 0.00 C ATOM 168 CD1 LEU A 12 -3.292 2.193 -2.181 1.00 0.00 C ATOM 169 CD2 LEU A 12 -1.627 3.974 -1.713 1.00 0.00 C ATOM 0 H LEU A 12 -1.085 3.384 1.733 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.552 2.652 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.631 2.057 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.742 0.762 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.147 1.988 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.418 2.649 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.447 1.117 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.020 2.616 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.809 4.344 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.297 4.477 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.593 4.177 -1.433 1.00 0.00 H new ATOM 181 N PHE A 13 -3.646 0.207 1.295 1.00 0.00 N ATOM 182 CA PHE A 13 -3.736 -1.113 1.879 1.00 0.00 C ATOM 183 C PHE A 13 -3.457 -2.066 0.722 1.00 0.00 C ATOM 184 O PHE A 13 -3.915 -1.800 -0.387 1.00 0.00 O ATOM 185 CB PHE A 13 -5.160 -1.341 2.412 1.00 0.00 C ATOM 186 CG PHE A 13 -5.264 -2.523 3.347 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.277 -3.838 2.845 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.282 -2.303 4.733 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.246 -4.927 3.735 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.310 -3.387 5.622 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.278 -4.702 5.125 1.00 0.00 C ATOM 0 H PHE A 13 -4.164 0.276 0.419 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.044 -1.255 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.494 -0.444 2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.836 -1.491 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.311 -4.010 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.274 -1.294 5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.198 -5.936 3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.356 -3.212 6.687 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.278 -5.538 5.808 1.00 0.00 H new ATOM 201 N ILE A 14 -2.749 -3.170 0.938 1.00 0.00 N ATOM 202 CA ILE A 14 -2.525 -4.177 -0.089 1.00 0.00 C ATOM 203 C ILE A 14 -2.778 -5.538 0.563 1.00 0.00 C ATOM 204 O ILE A 14 -2.398 -5.749 1.717 1.00 0.00 O ATOM 205 CB ILE A 14 -1.108 -4.028 -0.696 1.00 0.00 C ATOM 206 CG1 ILE A 14 -0.715 -2.591 -1.126 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.004 -4.909 -1.948 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.145 -1.707 -0.012 1.00 0.00 C ATOM 0 H ILE A 14 -2.314 -3.391 1.834 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.205 -4.061 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.430 -4.321 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.021 -2.658 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.595 -2.101 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.009 -4.809 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.179 -5.950 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.750 -4.594 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.098 -0.724 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.884 -1.601 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.757 -2.166 0.391 1.00 0.00 H new ATOM 220 N GLY A 15 -3.420 -6.461 -0.151 1.00 0.00 N ATOM 221 CA GLY A 15 -3.758 -7.802 0.316 1.00 0.00 C ATOM 222 C GLY A 15 -3.596 -8.843 -0.787 1.00 0.00 C ATOM 223 O GLY A 15 -3.203 -8.509 -1.907 1.00 0.00 O ATOM 0 H GLY A 15 -3.730 -6.287 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.120 -8.064 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.786 -7.813 0.678 1.00 0.00 H new ATOM 227 N GLY A 16 -3.863 -10.107 -0.452 1.00 0.00 N ATOM 228 CA GLY A 16 -3.730 -11.269 -1.326 1.00 0.00 C ATOM 229 C GLY A 16 -2.285 -11.617 -1.697 1.00 0.00 C ATOM 230 O GLY A 16 -2.060 -12.524 -2.502 1.00 0.00 O ATOM 0 H GLY A 16 -4.193 -10.357 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.185 -12.131 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.294 -11.087 -2.241 1.00 0.00 H new ATOM 234 N LEU A 17 -1.311 -10.890 -1.138 1.00 0.00 N ATOM 235 CA LEU A 17 0.083 -10.863 -1.575 1.00 0.00 C ATOM 236 C LEU A 17 0.751 -12.224 -1.459 1.00 0.00 C ATOM 237 O LEU A 17 0.312 -13.098 -0.702 1.00 0.00 O ATOM 238 CB LEU A 17 0.899 -9.842 -0.763 1.00 0.00 C ATOM 239 CG LEU A 17 0.527 -8.372 -1.009 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.433 -7.490 -0.148 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.696 -7.987 -2.480 1.00 0.00 C ATOM 0 H LEU A 17 -1.483 -10.282 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 17 0.065 -10.572 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.774 -10.060 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.956 -9.977 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.521 -8.229 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.182 -6.442 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.290 -7.738 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.474 -7.660 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.424 -6.940 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.734 -8.133 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.051 -8.613 -3.096 1.00 0.00 H new ATOM 253 N ASN A 18 1.852 -12.396 -2.189 1.00 0.00 N ATOM 254 CA ASN A 18 2.699 -13.565 -2.067 1.00 0.00 C ATOM 255 C ASN A 18 3.514 -13.490 -0.783 1.00 0.00 C ATOM 256 O ASN A 18 3.853 -12.400 -0.312 1.00 0.00 O ATOM 257 CB ASN A 18 3.644 -13.715 -3.272 1.00 0.00 C ATOM 258 CG ASN A 18 3.923 -15.184 -3.584 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.335 -16.088 -2.989 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.798 -15.471 -4.526 1.00 0.00 N ATOM 0 H ASN A 18 2.176 -11.722 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 18 2.048 -14.439 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.202 -13.234 -4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.583 -13.201 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.990 -16.444 -4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.283 -14.720 -5.017 1.00 0.00 H new ATOM 267 N THR A 19 3.918 -14.651 -0.280 1.00 0.00 N ATOM 268 CA THR A 19 4.579 -14.836 1.013 1.00 0.00 C ATOM 269 C THR A 19 6.027 -14.339 1.061 1.00 0.00 C ATOM 270 O THR A 19 6.714 -14.531 2.065 1.00 0.00 O ATOM 271 CB THR A 19 4.488 -16.329 1.394 1.00 0.00 C ATOM 272 OG1 THR A 19 4.400 -17.188 0.255 1.00 0.00 O ATOM 273 CG2 THR A 19 3.251 -16.520 2.274 1.00 0.00 C ATOM 0 H THR A 19 3.790 -15.530 -0.782 1.00 0.00 H new ATOM 0 HA THR A 19 4.056 -14.215 1.740 1.00 0.00 H new ATOM 0 HB THR A 19 5.402 -16.601 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.346 -18.120 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.164 -17.569 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.345 -15.909 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.361 -16.219 1.721 1.00 0.00 H new ATOM 281 N GLU A 20 6.509 -13.740 -0.021 1.00 0.00 N ATOM 282 CA GLU A 20 7.922 -13.525 -0.284 1.00 0.00 C ATOM 283 C GLU A 20 8.124 -12.198 -1.028 1.00 0.00 C ATOM 284 O GLU A 20 9.115 -11.984 -1.730 1.00 0.00 O ATOM 285 CB GLU A 20 8.401 -14.771 -1.032 1.00 0.00 C ATOM 286 CG GLU A 20 9.867 -15.116 -0.756 1.00 0.00 C ATOM 287 CD GLU A 20 10.201 -16.522 -1.257 1.00 0.00 C ATOM 288 OE1 GLU A 20 9.400 -17.453 -0.997 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.269 -16.679 -1.901 1.00 0.00 O ATOM 0 H GLU A 20 5.906 -13.380 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 20 8.523 -13.414 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.776 -15.618 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.266 -14.618 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.514 -14.388 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.065 -15.050 0.314 1.00 0.00 H new ATOM 296 N THR A 21 7.151 -11.298 -0.873 1.00 0.00 N ATOM 297 CA THR A 21 7.255 -9.895 -1.216 1.00 0.00 C ATOM 298 C THR A 21 8.399 -9.297 -0.382 1.00 0.00 C ATOM 299 O THR A 21 8.685 -9.783 0.718 1.00 0.00 O ATOM 300 CB THR A 21 5.890 -9.254 -0.885 1.00 0.00 C ATOM 301 OG1 THR A 21 4.829 -9.955 -1.521 1.00 0.00 O ATOM 302 CG2 THR A 21 5.799 -7.795 -1.331 1.00 0.00 C ATOM 0 H THR A 21 6.238 -11.545 -0.490 1.00 0.00 H new ATOM 0 HA THR A 21 7.479 -9.721 -2.268 1.00 0.00 H new ATOM 0 HB THR A 21 5.801 -9.307 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.534 -10.693 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.818 -7.396 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.571 -7.212 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.943 -7.735 -2.410 1.00 0.00 H new ATOM 310 N ASN A 22 9.029 -8.219 -0.852 1.00 0.00 N ATOM 311 CA ASN A 22 9.915 -7.402 -0.028 1.00 0.00 C ATOM 312 C ASN A 22 9.629 -5.930 -0.323 1.00 0.00 C ATOM 313 O ASN A 22 8.953 -5.619 -1.300 1.00 0.00 O ATOM 314 CB ASN A 22 11.396 -7.707 -0.268 1.00 0.00 C ATOM 315 CG ASN A 22 11.832 -9.083 0.190 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.211 -9.292 1.339 1.00 0.00 O ATOM 317 ND2 ASN A 22 11.788 -10.061 -0.680 1.00 0.00 N ATOM 0 H ASN A 22 8.938 -7.890 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 22 9.717 -7.636 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.607 -7.608 -1.333 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.997 -6.958 0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.069 -11.002 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.472 -9.882 -1.633 1.00 0.00 H new ATOM 324 N GLU A 23 10.155 -5.008 0.474 1.00 0.00 N ATOM 325 CA GLU A 23 9.884 -3.572 0.328 1.00 0.00 C ATOM 326 C GLU A 23 10.490 -3.050 -0.972 1.00 0.00 C ATOM 327 O GLU A 23 9.800 -2.391 -1.743 1.00 0.00 O ATOM 328 CB GLU A 23 10.387 -2.732 1.518 1.00 0.00 C ATOM 329 CG GLU A 23 10.017 -3.314 2.887 1.00 0.00 C ATOM 330 CD GLU A 23 11.116 -4.200 3.488 1.00 0.00 C ATOM 331 OE1 GLU A 23 11.641 -5.103 2.791 1.00 0.00 O ATOM 332 OE2 GLU A 23 11.435 -4.006 4.681 1.00 0.00 O ATOM 0 H GLU A 23 10.785 -5.230 1.245 1.00 0.00 H new ATOM 0 HA GLU A 23 8.800 -3.464 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.471 -2.641 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.977 -1.725 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.802 -2.497 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.102 -3.898 2.790 1.00 0.00 H new ATOM 339 N LYS A 24 11.746 -3.406 -1.265 1.00 0.00 N ATOM 340 CA LYS A 24 12.397 -3.018 -2.519 1.00 0.00 C ATOM 341 C LYS A 24 11.622 -3.508 -3.746 1.00 0.00 C ATOM 342 O LYS A 24 11.587 -2.837 -4.772 1.00 0.00 O ATOM 343 CB LYS A 24 13.857 -3.504 -2.531 1.00 0.00 C ATOM 344 CG LYS A 24 14.016 -5.033 -2.680 1.00 0.00 C ATOM 345 CD LYS A 24 14.558 -5.459 -4.055 1.00 0.00 C ATOM 346 CE LYS A 24 16.071 -5.235 -4.217 1.00 0.00 C ATOM 347 NZ LYS A 24 16.894 -5.956 -3.226 1.00 0.00 N ATOM 0 H LYS A 24 12.333 -3.965 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 24 12.399 -1.929 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.384 -3.014 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.340 -3.188 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.688 -5.398 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.050 -5.509 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.337 -6.515 -4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.032 -4.904 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.369 -5.547 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.280 -4.168 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.888 -5.954 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.816 -5.486 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.559 -6.937 -3.145 1.00 0.00 H new ATOM 361 N ALA A 25 10.975 -4.673 -3.645 1.00 0.00 N ATOM 362 CA ALA A 25 10.147 -5.203 -4.713 1.00 0.00 C ATOM 363 C ALA A 25 8.937 -4.298 -4.903 1.00 0.00 C ATOM 364 O ALA A 25 8.542 -4.016 -6.029 1.00 0.00 O ATOM 365 CB ALA A 25 9.696 -6.626 -4.371 1.00 0.00 C ATOM 0 H ALA A 25 11.016 -5.269 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 25 10.722 -5.236 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.075 -7.015 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.570 -7.265 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.121 -6.613 -3.445 1.00 0.00 H new ATOM 371 N LEU A 26 8.346 -3.834 -3.805 1.00 0.00 N ATOM 372 CA LEU A 26 7.150 -3.014 -3.819 1.00 0.00 C ATOM 373 C LEU A 26 7.398 -1.593 -4.312 1.00 0.00 C ATOM 374 O LEU A 26 6.482 -0.987 -4.876 1.00 0.00 O ATOM 375 CB LEU A 26 6.552 -2.958 -2.421 1.00 0.00 C ATOM 376 CG LEU A 26 5.922 -4.284 -1.968 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.470 -4.129 -0.518 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.750 -4.701 -2.861 1.00 0.00 C ATOM 0 H LEU A 26 8.696 -4.024 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 26 6.460 -3.482 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.331 -2.675 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.793 -2.176 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 26 6.667 -5.076 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.019 -5.061 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.330 -3.891 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.738 -3.325 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.337 -5.644 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.978 -3.932 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.100 -4.825 -3.886 1.00 0.00 H new ATOM 390 N GLU A 27 8.607 -1.061 -4.144 1.00 0.00 N ATOM 391 CA GLU A 27 9.027 0.157 -4.833 1.00 0.00 C ATOM 392 C GLU A 27 8.852 -0.074 -6.337 1.00 0.00 C ATOM 393 O GLU A 27 8.202 0.705 -7.038 1.00 0.00 O ATOM 394 CB GLU A 27 10.484 0.510 -4.488 1.00 0.00 C ATOM 395 CG GLU A 27 10.685 0.821 -2.997 1.00 0.00 C ATOM 396 CD GLU A 27 12.153 0.939 -2.573 1.00 0.00 C ATOM 397 OE1 GLU A 27 13.055 0.398 -3.255 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.387 1.535 -1.490 1.00 0.00 O ATOM 0 H GLU A 27 9.318 -1.459 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 27 8.417 1.002 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.131 -0.320 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.794 1.372 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.174 1.754 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.210 0.038 -2.407 1.00 0.00 H new ATOM 405 N ALA A 28 9.353 -1.215 -6.815 1.00 0.00 N ATOM 406 CA ALA A 28 9.329 -1.547 -8.232 1.00 0.00 C ATOM 407 C ALA A 28 7.895 -1.826 -8.698 1.00 0.00 C ATOM 408 O ALA A 28 7.552 -1.483 -9.833 1.00 0.00 O ATOM 409 CB ALA A 28 10.262 -2.724 -8.530 1.00 0.00 C ATOM 0 H ALA A 28 9.784 -1.930 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 28 9.696 -0.689 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.228 -2.955 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.281 -2.461 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.942 -3.596 -7.960 1.00 0.00 H new ATOM 415 N VAL A 29 7.042 -2.399 -7.841 1.00 0.00 N ATOM 416 CA VAL A 29 5.613 -2.553 -8.097 1.00 0.00 C ATOM 417 C VAL A 29 4.981 -1.174 -8.321 1.00 0.00 C ATOM 418 O VAL A 29 4.480 -0.922 -9.420 1.00 0.00 O ATOM 419 CB VAL A 29 4.911 -3.377 -6.993 1.00 0.00 C ATOM 420 CG1 VAL A 29 3.386 -3.399 -7.159 1.00 0.00 C ATOM 421 CG2 VAL A 29 5.381 -4.842 -7.032 1.00 0.00 C ATOM 0 H VAL A 29 7.334 -2.773 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 29 5.475 -3.132 -9.010 1.00 0.00 H new ATOM 0 HB VAL A 29 5.172 -2.895 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.941 -3.991 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.000 -2.380 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.131 -3.842 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.877 -5.407 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.141 -5.275 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.458 -4.883 -6.873 1.00 0.00 H new ATOM 431 N PHE A 30 4.971 -0.302 -7.308 1.00 0.00 N ATOM 432 CA PHE A 30 4.034 0.816 -7.249 1.00 0.00 C ATOM 433 C PHE A 30 4.615 2.138 -7.745 1.00 0.00 C ATOM 434 O PHE A 30 3.833 3.052 -7.993 1.00 0.00 O ATOM 435 CB PHE A 30 3.530 0.996 -5.809 1.00 0.00 C ATOM 436 CG PHE A 30 2.500 -0.018 -5.351 1.00 0.00 C ATOM 437 CD1 PHE A 30 1.150 0.137 -5.719 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.869 -1.090 -4.519 1.00 0.00 C ATOM 439 CE1 PHE A 30 0.187 -0.796 -5.293 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.897 -2.006 -4.080 1.00 0.00 C ATOM 441 CZ PHE A 30 0.556 -1.862 -4.462 1.00 0.00 C ATOM 0 H PHE A 30 5.608 -0.353 -6.513 1.00 0.00 H new ATOM 0 HA PHE A 30 3.216 0.560 -7.923 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.385 0.951 -5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.101 1.993 -5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.852 0.976 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.899 -1.210 -4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.841 -0.690 -5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.186 -2.828 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.187 -2.567 -4.119 1.00 0.00 H new ATOM 451 N GLY A 31 5.931 2.285 -7.906 1.00 0.00 N ATOM 452 CA GLY A 31 6.558 3.579 -8.189 1.00 0.00 C ATOM 453 C GLY A 31 6.235 4.148 -9.578 1.00 0.00 C ATOM 454 O GLY A 31 6.572 5.289 -9.904 1.00 0.00 O ATOM 0 H GLY A 31 6.593 1.511 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.240 4.297 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.639 3.474 -8.095 1.00 0.00 H new ATOM 458 N LYS A 32 5.573 3.364 -10.428 1.00 0.00 N ATOM 459 CA LYS A 32 5.158 3.722 -11.782 1.00 0.00 C ATOM 460 C LYS A 32 3.908 4.615 -11.842 1.00 0.00 C ATOM 461 O LYS A 32 3.415 4.848 -12.943 1.00 0.00 O ATOM 462 CB LYS A 32 5.005 2.436 -12.607 1.00 0.00 C ATOM 463 CG LYS A 32 3.902 1.487 -12.110 1.00 0.00 C ATOM 464 CD LYS A 32 4.257 0.029 -12.413 1.00 0.00 C ATOM 465 CE LYS A 32 4.286 -0.271 -13.911 1.00 0.00 C ATOM 466 NZ LYS A 32 4.715 -1.657 -14.199 1.00 0.00 N ATOM 0 H LYS A 32 5.298 2.414 -10.177 1.00 0.00 H new ATOM 0 HA LYS A 32 5.939 4.345 -12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.795 2.706 -13.642 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.955 1.902 -12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.763 1.616 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.956 1.742 -12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.231 -0.201 -11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.532 -0.625 -11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.294 -0.106 -14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.962 0.426 -14.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.719 -1.813 -15.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.672 -1.810 -13.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.056 -2.325 -13.750 1.00 0.00 H new ATOM 480 N TYR A 33 3.401 5.108 -10.710 1.00 0.00 N ATOM 481 CA TYR A 33 2.191 5.933 -10.645 1.00 0.00 C ATOM 482 C TYR A 33 2.446 7.337 -10.067 1.00 0.00 C ATOM 483 O TYR A 33 1.516 8.143 -10.006 1.00 0.00 O ATOM 484 CB TYR A 33 1.137 5.208 -9.793 1.00 0.00 C ATOM 485 CG TYR A 33 0.563 3.925 -10.374 1.00 0.00 C ATOM 486 CD1 TYR A 33 1.153 2.676 -10.098 1.00 0.00 C ATOM 487 CD2 TYR A 33 -0.612 3.980 -11.144 1.00 0.00 C ATOM 488 CE1 TYR A 33 0.616 1.490 -10.632 1.00 0.00 C ATOM 489 CE2 TYR A 33 -1.160 2.805 -11.683 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.525 1.561 -11.467 1.00 0.00 C ATOM 491 OH TYR A 33 -1.006 0.442 -12.079 1.00 0.00 O ATOM 0 H TYR A 33 3.826 4.943 -9.798 1.00 0.00 H new ATOM 0 HA TYR A 33 1.839 6.074 -11.667 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.581 4.976 -8.825 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.313 5.898 -9.609 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.029 2.628 -9.468 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.095 4.930 -11.322 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.069 0.536 -10.407 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.069 2.852 -12.264 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.794 0.674 -12.613 1.00 0.00 H new ATOM 501 N GLY A 34 3.658 7.630 -9.589 1.00 0.00 N ATOM 502 CA GLY A 34 3.857 8.696 -8.624 1.00 0.00 C ATOM 503 C GLY A 34 5.217 8.557 -7.948 1.00 0.00 C ATOM 504 O GLY A 34 6.214 8.257 -8.621 1.00 0.00 O ATOM 0 H GLY A 34 4.511 7.140 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.789 9.663 -9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.067 8.668 -7.874 1.00 0.00 H new ATOM 508 N ARG A 35 5.292 8.856 -6.647 1.00 0.00 N ATOM 509 CA ARG A 35 6.541 8.971 -5.885 1.00 0.00 C ATOM 510 C ARG A 35 6.383 8.266 -4.538 1.00 0.00 C ATOM 511 O ARG A 35 5.497 8.621 -3.763 1.00 0.00 O ATOM 512 CB ARG A 35 6.885 10.459 -5.710 1.00 0.00 C ATOM 513 CG ARG A 35 7.292 11.120 -7.034 1.00 0.00 C ATOM 514 CD ARG A 35 7.187 12.642 -6.994 1.00 0.00 C ATOM 515 NE ARG A 35 8.468 13.323 -6.801 1.00 0.00 N ATOM 516 CZ ARG A 35 8.600 14.650 -6.793 1.00 0.00 C ATOM 517 NH1 ARG A 35 7.551 15.454 -6.955 1.00 0.00 N ATOM 518 NH2 ARG A 35 9.815 15.163 -6.659 1.00 0.00 N ATOM 0 H ARG A 35 4.463 9.030 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 35 7.361 8.490 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.024 10.983 -5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.698 10.560 -4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.317 10.838 -7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.659 10.738 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.739 12.989 -7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.510 12.928 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 35 9.303 12.753 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.621 15.058 -7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.678 16.466 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.622 14.546 -6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.943 16.175 -6.650 1.00 0.00 H new ATOM 532 N ILE A 36 7.212 7.264 -4.251 1.00 0.00 N ATOM 533 CA ILE A 36 7.233 6.541 -2.980 1.00 0.00 C ATOM 534 C ILE A 36 8.317 7.140 -2.080 1.00 0.00 C ATOM 535 O ILE A 36 9.441 7.379 -2.529 1.00 0.00 O ATOM 536 CB ILE A 36 7.498 5.039 -3.247 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.366 4.457 -4.121 1.00 0.00 C ATOM 538 CG2 ILE A 36 7.598 4.244 -1.928 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.633 3.048 -4.648 1.00 0.00 C ATOM 0 H ILE A 36 7.907 6.923 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 36 6.271 6.635 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 36 8.450 4.951 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.444 4.445 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.199 5.123 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.784 3.193 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.417 4.639 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.663 4.338 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.787 2.719 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.535 3.053 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.768 2.365 -3.809 1.00 0.00 H new ATOM 551 N VAL A 37 8.013 7.300 -0.796 1.00 0.00 N ATOM 552 CA VAL A 37 8.974 7.552 0.273 1.00 0.00 C ATOM 553 C VAL A 37 8.800 6.543 1.428 1.00 0.00 C ATOM 554 O VAL A 37 9.760 6.300 2.159 1.00 0.00 O ATOM 555 CB VAL A 37 8.914 9.037 0.712 1.00 0.00 C ATOM 556 CG1 VAL A 37 9.471 9.966 -0.378 1.00 0.00 C ATOM 557 CG2 VAL A 37 7.503 9.539 1.053 1.00 0.00 C ATOM 0 H VAL A 37 7.052 7.256 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 37 9.985 7.387 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 37 9.521 9.069 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.414 11.000 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.510 9.707 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.884 9.851 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.551 10.587 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.860 9.439 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.095 8.948 1.873 1.00 0.00 H new ATOM 567 N GLU A 38 7.657 5.855 1.551 1.00 0.00 N ATOM 568 CA GLU A 38 7.300 5.009 2.693 1.00 0.00 C ATOM 569 C GLU A 38 6.680 3.685 2.235 1.00 0.00 C ATOM 570 O GLU A 38 5.708 3.658 1.475 1.00 0.00 O ATOM 571 CB GLU A 38 6.329 5.778 3.608 1.00 0.00 C ATOM 572 CG GLU A 38 7.015 6.235 4.899 1.00 0.00 C ATOM 573 CD GLU A 38 6.308 7.421 5.581 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.107 7.674 5.306 1.00 0.00 O ATOM 575 OE2 GLU A 38 6.948 8.075 6.431 1.00 0.00 O ATOM 0 H GLU A 38 6.933 5.874 0.833 1.00 0.00 H new ATOM 0 HA GLU A 38 8.206 4.766 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.937 6.645 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.478 5.142 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.057 5.398 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.044 6.515 4.675 1.00 0.00 H new ATOM 582 N VAL A 39 7.240 2.583 2.739 1.00 0.00 N ATOM 583 CA VAL A 39 6.809 1.211 2.510 1.00 0.00 C ATOM 584 C VAL A 39 6.927 0.474 3.848 1.00 0.00 C ATOM 585 O VAL A 39 7.987 0.527 4.477 1.00 0.00 O ATOM 586 CB VAL A 39 7.678 0.550 1.409 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.123 -0.830 1.057 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.713 1.383 0.115 1.00 0.00 C ATOM 0 H VAL A 39 8.053 2.632 3.353 1.00 0.00 H new ATOM 0 HA VAL A 39 5.779 1.173 2.156 1.00 0.00 H new ATOM 0 HB VAL A 39 8.688 0.478 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.741 -1.284 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.130 -1.462 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.101 -0.729 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.334 0.879 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.701 1.493 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.129 2.368 0.327 1.00 0.00 H new ATOM 598 N LEU A 40 5.867 -0.230 4.259 1.00 0.00 N ATOM 599 CA LEU A 40 5.791 -1.031 5.477 1.00 0.00 C ATOM 600 C LEU A 40 5.246 -2.415 5.122 1.00 0.00 C ATOM 601 O LEU A 40 4.065 -2.574 4.803 1.00 0.00 O ATOM 602 CB LEU A 40 4.918 -0.333 6.542 1.00 0.00 C ATOM 603 CG LEU A 40 5.583 -0.230 7.928 1.00 0.00 C ATOM 604 CD1 LEU A 40 6.011 -1.600 8.472 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.775 0.735 7.916 1.00 0.00 C ATOM 0 H LEU A 40 4.999 -0.255 3.723 1.00 0.00 H new ATOM 0 HA LEU A 40 6.786 -1.141 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.670 0.670 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.979 -0.877 6.641 1.00 0.00 H new ATOM 0 HG LEU A 40 4.824 0.171 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.474 -1.474 9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.137 -2.244 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.727 -2.056 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.217 0.780 8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.521 0.383 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.436 1.729 7.624 1.00 0.00 H new ATOM 617 N LEU A 41 6.121 -3.418 5.097 1.00 0.00 N ATOM 618 CA LEU A 41 5.748 -4.799 4.816 1.00 0.00 C ATOM 619 C LEU A 41 5.481 -5.515 6.139 1.00 0.00 C ATOM 620 O LEU A 41 6.188 -5.278 7.117 1.00 0.00 O ATOM 621 CB LEU A 41 6.910 -5.457 4.069 1.00 0.00 C ATOM 622 CG LEU A 41 6.661 -6.914 3.645 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.649 -7.010 2.497 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.994 -7.474 3.170 1.00 0.00 C ATOM 0 H LEU A 41 7.118 -3.292 5.273 1.00 0.00 H new ATOM 0 HA LEU A 41 4.847 -4.851 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.132 -4.867 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.796 -5.424 4.703 1.00 0.00 H new ATOM 0 HG LEU A 41 6.254 -7.470 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.502 -8.056 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.699 -6.579 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.026 -6.463 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.863 -8.510 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.357 -6.885 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.718 -7.428 3.983 1.00 0.00 H new ATOM 636 N MET A 42 4.521 -6.439 6.164 1.00 0.00 N ATOM 637 CA MET A 42 4.092 -7.128 7.376 1.00 0.00 C ATOM 638 C MET A 42 4.575 -8.573 7.291 1.00 0.00 C ATOM 639 O MET A 42 4.246 -9.266 6.325 1.00 0.00 O ATOM 640 CB MET A 42 2.564 -7.020 7.512 1.00 0.00 C ATOM 641 CG MET A 42 2.065 -5.578 7.331 1.00 0.00 C ATOM 642 SD MET A 42 2.935 -4.239 8.196 1.00 0.00 S ATOM 643 CE MET A 42 2.677 -4.743 9.912 1.00 0.00 C ATOM 0 H MET A 42 4.013 -6.733 5.329 1.00 0.00 H new ATOM 0 HA MET A 42 4.521 -6.675 8.270 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.089 -7.663 6.771 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.262 -7.387 8.493 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.087 -5.352 6.265 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.021 -5.548 7.641 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.152 -4.023 10.578 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.608 -4.783 10.123 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.115 -5.728 10.072 1.00 0.00 H new ATOM 653 N LYS A 43 5.364 -9.024 8.271 1.00 0.00 N ATOM 654 CA LYS A 43 5.966 -10.355 8.286 1.00 0.00 C ATOM 655 C LYS A 43 5.464 -11.154 9.471 1.00 0.00 C ATOM 656 O LYS A 43 5.183 -10.616 10.545 1.00 0.00 O ATOM 657 CB LYS A 43 7.498 -10.285 8.339 1.00 0.00 C ATOM 658 CG LYS A 43 8.098 -9.824 7.010 1.00 0.00 C ATOM 659 CD LYS A 43 9.613 -9.590 7.135 1.00 0.00 C ATOM 660 CE LYS A 43 10.097 -8.692 5.993 1.00 0.00 C ATOM 661 NZ LYS A 43 11.566 -8.559 5.952 1.00 0.00 N ATOM 0 H LYS A 43 5.604 -8.463 9.088 1.00 0.00 H new ATOM 0 HA LYS A 43 5.673 -10.848 7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.802 -9.600 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.897 -11.266 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.905 -10.573 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.611 -8.904 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.840 -9.127 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.141 -10.543 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.747 -9.099 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.650 -7.704 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.837 -7.941 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.902 -8.145 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.996 -9.497 5.822 1.00 0.00 H new ATOM 675 N ASP A 44 5.379 -12.455 9.241 1.00 0.00 N ATOM 676 CA ASP A 44 5.051 -13.448 10.260 1.00 0.00 C ATOM 677 C ASP A 44 6.139 -13.507 11.340 1.00 0.00 C ATOM 678 O ASP A 44 7.273 -13.071 11.113 1.00 0.00 O ATOM 679 CB ASP A 44 4.817 -14.833 9.626 1.00 0.00 C ATOM 680 CG ASP A 44 3.710 -15.524 10.418 1.00 0.00 C ATOM 681 OD1 ASP A 44 3.986 -16.068 11.511 1.00 0.00 O ATOM 682 OD2 ASP A 44 2.532 -15.420 10.007 1.00 0.00 O ATOM 0 H ASP A 44 5.539 -12.862 8.320 1.00 0.00 H new ATOM 0 HA ASP A 44 4.122 -13.143 10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.532 -14.731 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.732 -15.425 9.651 1.00 0.00 H new ATOM 687 N ARG A 45 5.852 -14.090 12.507 1.00 0.00 N ATOM 688 CA ARG A 45 6.854 -14.554 13.449 1.00 0.00 C ATOM 689 C ARG A 45 6.745 -16.060 13.433 1.00 0.00 C ATOM 690 O ARG A 45 5.965 -16.647 14.185 1.00 0.00 O ATOM 691 CB ARG A 45 6.652 -13.970 14.845 1.00 0.00 C ATOM 692 CG ARG A 45 7.789 -14.436 15.771 1.00 0.00 C ATOM 693 CD ARG A 45 7.343 -15.330 16.936 1.00 0.00 C ATOM 694 NE ARG A 45 6.685 -14.556 17.995 1.00 0.00 N ATOM 695 CZ ARG A 45 6.333 -15.014 19.201 1.00 0.00 C ATOM 696 NH1 ARG A 45 6.415 -16.302 19.514 1.00 0.00 N ATOM 697 NH2 ARG A 45 5.902 -14.165 20.121 1.00 0.00 N ATOM 0 H ARG A 45 4.896 -14.252 12.822 1.00 0.00 H new ATOM 0 HA ARG A 45 7.853 -14.224 13.164 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.634 -12.881 14.795 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.690 -14.287 15.247 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.524 -14.978 15.176 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.292 -13.558 16.177 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.660 -16.095 16.567 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.209 -15.848 17.349 1.00 0.00 H new ATOM 0 HE ARG A 45 6.477 -13.578 17.792 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.754 -16.974 18.825 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.139 -16.620 20.443 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.840 -13.170 19.907 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.632 -14.506 21.043 1.00 0.00 H new ATOM 711 N GLU A 46 7.485 -16.655 12.519 1.00 0.00 N ATOM 712 CA GLU A 46 7.529 -18.069 12.241 1.00 0.00 C ATOM 713 C GLU A 46 8.762 -18.243 11.362 1.00 0.00 C ATOM 714 O GLU A 46 9.752 -18.802 11.822 1.00 0.00 O ATOM 715 CB GLU A 46 6.221 -18.490 11.557 1.00 0.00 C ATOM 716 CG GLU A 46 6.117 -19.979 11.252 1.00 0.00 C ATOM 717 CD GLU A 46 4.740 -20.318 10.701 1.00 0.00 C ATOM 718 OE1 GLU A 46 3.774 -20.376 11.490 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.592 -20.424 9.459 1.00 0.00 O ATOM 0 H GLU A 46 8.111 -16.125 11.913 1.00 0.00 H new ATOM 0 HA GLU A 46 7.608 -18.701 13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.384 -18.203 12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.118 -17.933 10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.883 -20.262 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.304 -20.555 12.158 1.00 0.00 H new ATOM 726 N THR A 47 8.730 -17.723 10.130 1.00 0.00 N ATOM 727 CA THR A 47 9.639 -18.105 9.055 1.00 0.00 C ATOM 728 C THR A 47 9.956 -16.958 8.094 1.00 0.00 C ATOM 729 O THR A 47 10.333 -17.164 6.945 1.00 0.00 O ATOM 730 CB THR A 47 8.985 -19.295 8.328 1.00 0.00 C ATOM 731 OG1 THR A 47 7.573 -19.133 8.262 1.00 0.00 O ATOM 732 CG2 THR A 47 9.239 -20.584 9.093 1.00 0.00 C ATOM 0 H THR A 47 8.056 -17.010 9.851 1.00 0.00 H new ATOM 0 HA THR A 47 10.607 -18.380 9.473 1.00 0.00 H new ATOM 0 HB THR A 47 9.416 -19.337 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.163 -19.964 7.942 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.771 -21.417 8.568 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.313 -20.758 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.816 -20.502 10.094 1.00 0.00 H new ATOM 740 N ASN A 48 9.827 -15.724 8.566 1.00 0.00 N ATOM 741 CA ASN A 48 9.871 -14.476 7.790 1.00 0.00 C ATOM 742 C ASN A 48 8.914 -14.470 6.583 1.00 0.00 C ATOM 743 O ASN A 48 9.071 -13.609 5.708 1.00 0.00 O ATOM 744 CB ASN A 48 11.301 -14.091 7.347 1.00 0.00 C ATOM 745 CG ASN A 48 12.295 -13.877 8.477 1.00 0.00 C ATOM 746 OD1 ASN A 48 12.608 -14.795 9.233 1.00 0.00 O ATOM 747 ND2 ASN A 48 12.822 -12.671 8.609 1.00 0.00 N ATOM 0 H ASN A 48 9.680 -15.550 9.560 1.00 0.00 H new ATOM 0 HA ASN A 48 9.520 -13.713 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.684 -14.873 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.247 -13.177 6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.501 -12.489 9.348 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.549 -11.923 7.972 1.00 0.00 H new ATOM 754 N LYS A 49 7.911 -15.368 6.506 1.00 0.00 N ATOM 755 CA LYS A 49 6.862 -15.226 5.487 1.00 0.00 C ATOM 756 C LYS A 49 6.257 -13.839 5.605 1.00 0.00 C ATOM 757 O LYS A 49 6.095 -13.328 6.713 1.00 0.00 O ATOM 758 CB LYS A 49 5.721 -16.245 5.608 1.00 0.00 C ATOM 759 CG LYS A 49 5.836 -17.475 4.695 1.00 0.00 C ATOM 760 CD LYS A 49 6.567 -18.636 5.355 1.00 0.00 C ATOM 761 CE LYS A 49 6.348 -19.953 4.612 1.00 0.00 C ATOM 762 NZ LYS A 49 5.071 -20.597 5.000 1.00 0.00 N ATOM 0 H LYS A 49 7.809 -16.176 7.120 1.00 0.00 H new ATOM 0 HA LYS A 49 7.346 -15.399 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.669 -16.585 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.780 -15.739 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.837 -17.800 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.360 -17.195 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.634 -18.416 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.225 -18.740 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.351 -19.769 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.176 -20.631 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.958 -21.488 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.078 -20.795 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.279 -19.961 4.777 1.00 0.00 H new ATOM 776 N SER A 50 5.874 -13.245 4.488 1.00 0.00 N ATOM 777 CA SER A 50 5.016 -12.086 4.545 1.00 0.00 C ATOM 778 C SER A 50 3.620 -12.553 4.971 1.00 0.00 C ATOM 779 O SER A 50 3.224 -13.674 4.652 1.00 0.00 O ATOM 780 CB SER A 50 4.970 -11.387 3.197 1.00 0.00 C ATOM 781 OG SER A 50 6.159 -11.475 2.426 1.00 0.00 O ATOM 0 H SER A 50 6.140 -13.543 3.549 1.00 0.00 H new ATOM 0 HA SER A 50 5.402 -11.366 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.149 -11.807 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.740 -10.334 3.360 1.00 0.00 H new ATOM 0 HG SER A 50 6.035 -10.999 1.578 1.00 0.00 H new ATOM 787 N ARG A 51 2.857 -11.703 5.659 1.00 0.00 N ATOM 788 CA ARG A 51 1.524 -12.035 6.173 1.00 0.00 C ATOM 789 C ARG A 51 0.434 -12.069 5.092 1.00 0.00 C ATOM 790 O ARG A 51 -0.734 -12.215 5.438 1.00 0.00 O ATOM 791 CB ARG A 51 1.163 -11.056 7.303 1.00 0.00 C ATOM 792 CG ARG A 51 1.976 -11.310 8.585 1.00 0.00 C ATOM 793 CD ARG A 51 1.190 -12.004 9.709 1.00 0.00 C ATOM 794 NE ARG A 51 0.698 -13.351 9.351 1.00 0.00 N ATOM 795 CZ ARG A 51 -0.552 -13.693 9.006 1.00 0.00 C ATOM 796 NH1 ARG A 51 -1.557 -12.823 9.021 1.00 0.00 N ATOM 797 NH2 ARG A 51 -0.827 -14.938 8.653 1.00 0.00 N ATOM 0 H ARG A 51 3.150 -10.751 5.879 1.00 0.00 H new ATOM 0 HA ARG A 51 1.567 -13.053 6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.336 -10.035 6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.100 -11.142 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.844 -11.920 8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.353 -10.357 8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.827 -12.083 10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.341 -11.379 9.985 1.00 0.00 H new ATOM 0 HE ARG A 51 1.386 -14.104 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.391 -11.857 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.494 -13.122 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.087 -15.640 8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.779 -15.195 8.391 1.00 0.00 H new ATOM 811 N GLY A 52 0.770 -11.884 3.814 1.00 0.00 N ATOM 812 CA GLY A 52 -0.202 -11.857 2.727 1.00 0.00 C ATOM 813 C GLY A 52 -0.850 -10.484 2.550 1.00 0.00 C ATOM 814 O GLY A 52 -1.678 -10.307 1.659 1.00 0.00 O ATOM 0 H GLY A 52 1.733 -11.748 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.290 -12.145 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.978 -12.598 2.920 1.00 0.00 H new ATOM 818 N PHE A 53 -0.462 -9.484 3.342 1.00 0.00 N ATOM 819 CA PHE A 53 -0.915 -8.112 3.225 1.00 0.00 C ATOM 820 C PHE A 53 0.263 -7.184 3.528 1.00 0.00 C ATOM 821 O PHE A 53 1.288 -7.620 4.067 1.00 0.00 O ATOM 822 CB PHE A 53 -2.116 -7.907 4.161 1.00 0.00 C ATOM 823 CG PHE A 53 -1.774 -7.676 5.620 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.544 -8.761 6.488 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.681 -6.359 6.108 1.00 0.00 C ATOM 826 CE1 PHE A 53 -1.216 -8.523 7.835 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.355 -6.126 7.452 1.00 0.00 C ATOM 828 CZ PHE A 53 -1.126 -7.208 8.316 1.00 0.00 C ATOM 0 H PHE A 53 0.199 -9.620 4.107 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.257 -7.878 2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.693 -7.055 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.762 -8.782 4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.619 -9.774 6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.861 -5.525 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.033 -9.354 8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.280 -5.114 7.822 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.880 -7.028 9.352 1.00 0.00 H new ATOM 838 N ALA A 54 0.155 -5.919 3.138 1.00 0.00 N ATOM 839 CA ALA A 54 1.196 -4.909 3.294 1.00 0.00 C ATOM 840 C ALA A 54 0.597 -3.503 3.234 1.00 0.00 C ATOM 841 O ALA A 54 -0.609 -3.348 3.007 1.00 0.00 O ATOM 842 CB ALA A 54 2.241 -5.098 2.194 1.00 0.00 C ATOM 0 H ALA A 54 -0.687 -5.556 2.690 1.00 0.00 H new ATOM 0 HA ALA A 54 1.671 -5.025 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.024 -4.347 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.679 -6.093 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.766 -4.989 1.219 1.00 0.00 H new ATOM 848 N PHE A 55 1.426 -2.479 3.437 1.00 0.00 N ATOM 849 CA PHE A 55 1.010 -1.087 3.468 1.00 0.00 C ATOM 850 C PHE A 55 2.076 -0.219 2.866 1.00 0.00 C ATOM 851 O PHE A 55 3.252 -0.276 3.228 1.00 0.00 O ATOM 852 CB PHE A 55 0.681 -0.719 4.932 1.00 0.00 C ATOM 853 CG PHE A 55 0.687 0.756 5.289 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.074 1.689 4.437 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.351 1.208 6.444 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.169 3.064 4.692 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.422 2.585 6.716 1.00 0.00 C ATOM 858 CZ PHE A 55 0.848 3.514 5.835 1.00 0.00 C ATOM 0 H PHE A 55 2.427 -2.603 3.587 1.00 0.00 H new ATOM 0 HA PHE A 55 0.114 -0.925 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.304 -1.121 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.397 -1.227 5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.477 1.343 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.805 0.499 7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.278 3.774 4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.922 2.930 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.928 4.572 6.036 1.00 0.00 H new ATOM 868 N VAL A 56 1.622 0.583 1.914 1.00 0.00 N ATOM 869 CA VAL A 56 2.408 1.527 1.207 1.00 0.00 C ATOM 870 C VAL A 56 1.832 2.921 1.416 1.00 0.00 C ATOM 871 O VAL A 56 0.654 3.058 1.734 1.00 0.00 O ATOM 872 CB VAL A 56 2.502 1.090 -0.253 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.076 -0.319 -0.487 1.00 0.00 C ATOM 874 CG2 VAL A 56 1.558 1.562 -1.362 1.00 0.00 C ATOM 0 H VAL A 56 0.647 0.576 1.615 1.00 0.00 H new ATOM 0 HA VAL A 56 3.430 1.570 1.583 1.00 0.00 H new ATOM 0 HB VAL A 56 3.241 1.867 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.099 -0.530 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.088 -0.371 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.448 -1.056 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.846 1.100 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.535 1.277 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.620 2.646 -1.455 1.00 0.00 H new ATOM 884 N THR A 57 2.629 3.954 1.206 1.00 0.00 N ATOM 885 CA THR A 57 2.186 5.337 1.282 1.00 0.00 C ATOM 886 C THR A 57 2.766 6.024 0.042 1.00 0.00 C ATOM 887 O THR A 57 3.744 5.511 -0.509 1.00 0.00 O ATOM 888 CB THR A 57 2.684 5.911 2.626 1.00 0.00 C ATOM 889 OG1 THR A 57 2.481 5.001 3.688 1.00 0.00 O ATOM 890 CG2 THR A 57 1.923 7.164 3.035 1.00 0.00 C ATOM 0 H THR A 57 3.617 3.855 0.974 1.00 0.00 H new ATOM 0 HA THR A 57 1.105 5.477 1.273 1.00 0.00 H new ATOM 0 HB THR A 57 3.741 6.121 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.561 4.666 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.309 7.530 3.986 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.050 7.932 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.864 6.928 3.140 1.00 0.00 H new ATOM 898 N PHE A 58 2.262 7.187 -0.384 1.00 0.00 N ATOM 899 CA PHE A 58 2.912 7.963 -1.445 1.00 0.00 C ATOM 900 C PHE A 58 3.258 9.374 -0.961 1.00 0.00 C ATOM 901 O PHE A 58 2.628 9.911 -0.049 1.00 0.00 O ATOM 902 CB PHE A 58 2.074 7.966 -2.729 1.00 0.00 C ATOM 903 CG PHE A 58 1.953 6.617 -3.424 1.00 0.00 C ATOM 904 CD1 PHE A 58 3.056 6.012 -4.060 1.00 0.00 C ATOM 905 CD2 PHE A 58 0.711 5.965 -3.460 1.00 0.00 C ATOM 906 CE1 PHE A 58 2.906 4.778 -4.727 1.00 0.00 C ATOM 907 CE2 PHE A 58 0.557 4.765 -4.168 1.00 0.00 C ATOM 908 CZ PHE A 58 1.645 4.173 -4.808 1.00 0.00 C ATOM 0 H PHE A 58 1.411 7.610 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 58 3.855 7.476 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.073 8.325 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.511 8.679 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.021 6.496 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.133 6.391 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.764 4.299 -5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.414 4.294 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.517 3.255 -5.362 1.00 0.00 H new ATOM 918 N GLU A 59 4.246 9.989 -1.606 1.00 0.00 N ATOM 919 CA GLU A 59 4.731 11.352 -1.384 1.00 0.00 C ATOM 920 C GLU A 59 3.665 12.398 -1.728 1.00 0.00 C ATOM 921 O GLU A 59 3.727 13.546 -1.275 1.00 0.00 O ATOM 922 CB GLU A 59 5.980 11.500 -2.255 1.00 0.00 C ATOM 923 CG GLU A 59 6.609 12.893 -2.387 1.00 0.00 C ATOM 924 CD GLU A 59 6.105 13.709 -3.588 1.00 0.00 C ATOM 925 OE1 GLU A 59 5.011 13.446 -4.145 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.830 14.662 -3.960 1.00 0.00 O ATOM 0 H GLU A 59 4.765 9.518 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 59 4.965 11.521 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.742 10.826 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.731 11.151 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.412 13.455 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.691 12.783 -2.467 1.00 0.00 H new ATOM 933 N SER A 60 2.658 11.992 -2.498 1.00 0.00 N ATOM 934 CA SER A 60 1.486 12.791 -2.801 1.00 0.00 C ATOM 935 C SER A 60 0.210 11.953 -2.650 1.00 0.00 C ATOM 936 O SER A 60 0.190 10.773 -3.000 1.00 0.00 O ATOM 937 CB SER A 60 1.644 13.333 -4.219 1.00 0.00 C ATOM 938 OG SER A 60 2.583 14.393 -4.207 1.00 0.00 O ATOM 0 H SER A 60 2.640 11.072 -2.938 1.00 0.00 H new ATOM 0 HA SER A 60 1.397 13.624 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.979 12.541 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.684 13.685 -4.596 1.00 0.00 H new ATOM 0 HG SER A 60 3.489 14.029 -4.295 1.00 0.00 H new ATOM 944 N PRO A 61 -0.898 12.551 -2.173 1.00 0.00 N ATOM 945 CA PRO A 61 -2.150 11.836 -1.956 1.00 0.00 C ATOM 946 C PRO A 61 -2.950 11.634 -3.251 1.00 0.00 C ATOM 947 O PRO A 61 -3.928 10.885 -3.224 1.00 0.00 O ATOM 948 CB PRO A 61 -2.918 12.692 -0.944 1.00 0.00 C ATOM 949 CG PRO A 61 -2.475 14.110 -1.302 1.00 0.00 C ATOM 950 CD PRO A 61 -1.017 13.928 -1.718 1.00 0.00 C ATOM 0 HA PRO A 61 -1.970 10.825 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.996 12.567 -1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.660 12.434 0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.075 14.527 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.570 14.787 -0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.748 14.626 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.346 14.122 -0.882 1.00 0.00 H new ATOM 958 N ALA A 62 -2.558 12.282 -4.357 1.00 0.00 N ATOM 959 CA ALA A 62 -3.117 12.082 -5.689 1.00 0.00 C ATOM 960 C ALA A 62 -2.775 10.699 -6.219 1.00 0.00 C ATOM 961 O ALA A 62 -3.662 9.954 -6.632 1.00 0.00 O ATOM 962 CB ALA A 62 -2.572 13.145 -6.650 1.00 0.00 C ATOM 0 H ALA A 62 -1.817 12.983 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.201 12.171 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.994 12.989 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.848 14.136 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.486 13.067 -6.701 1.00 0.00 H new ATOM 968 N ASP A 63 -1.491 10.363 -6.161 1.00 0.00 N ATOM 969 CA ASP A 63 -0.901 9.090 -6.549 1.00 0.00 C ATOM 970 C ASP A 63 -1.687 7.975 -5.860 1.00 0.00 C ATOM 971 O ASP A 63 -2.070 6.975 -6.463 1.00 0.00 O ATOM 972 CB ASP A 63 0.585 9.026 -6.083 1.00 0.00 C ATOM 973 CG ASP A 63 1.486 10.255 -6.280 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.984 11.346 -6.632 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.705 10.143 -6.002 1.00 0.00 O ATOM 0 H ASP A 63 -0.789 11.018 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.937 8.979 -7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.585 8.786 -5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.055 8.189 -6.599 1.00 0.00 H new ATOM 980 N ALA A 64 -2.006 8.208 -4.584 1.00 0.00 N ATOM 981 CA ALA A 64 -2.676 7.278 -3.696 1.00 0.00 C ATOM 982 C ALA A 64 -4.182 7.138 -3.970 1.00 0.00 C ATOM 983 O ALA A 64 -4.869 6.434 -3.222 1.00 0.00 O ATOM 984 CB ALA A 64 -2.418 7.732 -2.262 1.00 0.00 C ATOM 0 H ALA A 64 -1.790 9.095 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.267 6.283 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.911 7.049 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.345 7.733 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.813 8.738 -2.122 1.00 0.00 H new ATOM 990 N LYS A 65 -4.715 7.805 -4.998 1.00 0.00 N ATOM 991 CA LYS A 65 -6.064 7.590 -5.522 1.00 0.00 C ATOM 992 C LYS A 65 -6.002 6.706 -6.757 1.00 0.00 C ATOM 993 O LYS A 65 -6.863 5.838 -6.904 1.00 0.00 O ATOM 994 CB LYS A 65 -6.714 8.920 -5.931 1.00 0.00 C ATOM 995 CG LYS A 65 -6.932 9.880 -4.759 1.00 0.00 C ATOM 996 CD LYS A 65 -7.342 11.257 -5.293 1.00 0.00 C ATOM 997 CE LYS A 65 -7.540 12.300 -4.193 1.00 0.00 C ATOM 998 NZ LYS A 65 -8.737 12.024 -3.379 1.00 0.00 N ATOM 0 H LYS A 65 -4.204 8.530 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.653 7.119 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.087 9.407 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.674 8.715 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.705 9.491 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.019 9.964 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.579 11.611 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.267 11.158 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.661 12.319 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.628 13.289 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.834 12.755 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.580 12.031 -3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.643 11.091 -2.928 1.00 0.00 H new ATOM 1012 N ASP A 66 -5.045 6.948 -7.654 1.00 0.00 N ATOM 1013 CA ASP A 66 -5.004 6.278 -8.951 1.00 0.00 C ATOM 1014 C ASP A 66 -4.305 4.939 -8.839 1.00 0.00 C ATOM 1015 O ASP A 66 -4.843 3.922 -9.266 1.00 0.00 O ATOM 1016 CB ASP A 66 -4.293 7.116 -10.017 1.00 0.00 C ATOM 1017 CG ASP A 66 -5.260 7.362 -11.175 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.494 6.415 -11.965 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -5.856 8.459 -11.208 1.00 0.00 O ATOM 0 H ASP A 66 -4.283 7.609 -7.502 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.040 6.137 -9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.962 8.064 -9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.402 6.598 -10.372 1.00 0.00 H new ATOM 1024 N ALA A 67 -3.128 4.913 -8.208 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.395 3.679 -7.962 1.00 0.00 C ATOM 1026 C ALA A 67 -3.215 2.738 -7.079 1.00 0.00 C ATOM 1027 O ALA A 67 -3.021 1.520 -7.110 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.073 4.019 -7.277 1.00 0.00 C ATOM 0 H ALA A 67 -2.661 5.749 -7.856 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.202 3.176 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.515 3.102 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.487 4.674 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.272 4.524 -6.332 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.117 3.300 -6.268 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.084 2.545 -5.497 1.00 0.00 C ATOM 1036 C ALA A 68 -6.168 1.956 -6.392 1.00 0.00 C ATOM 1037 O ALA A 68 -6.622 0.843 -6.131 1.00 0.00 O ATOM 1038 CB ALA A 68 -5.715 3.439 -4.426 1.00 0.00 C ATOM 0 H ALA A 68 -4.189 4.309 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.560 1.720 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.440 2.862 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.938 3.811 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.217 4.280 -4.904 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.616 2.693 -7.413 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.749 2.310 -8.228 1.00 0.00 C ATOM 1046 C ARG A 69 -7.296 1.277 -9.250 1.00 0.00 C ATOM 1047 O ARG A 69 -7.882 0.202 -9.325 1.00 0.00 O ATOM 1048 CB ARG A 69 -8.319 3.593 -8.841 1.00 0.00 C ATOM 1049 CG ARG A 69 -9.443 3.339 -9.831 1.00 0.00 C ATOM 1050 CD ARG A 69 -10.073 4.668 -10.267 1.00 0.00 C ATOM 1051 NE ARG A 69 -11.279 4.463 -11.081 1.00 0.00 N ATOM 1052 CZ ARG A 69 -11.301 4.241 -12.401 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -10.168 4.172 -13.098 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.465 4.088 -13.026 1.00 0.00 N ATOM 0 H ARG A 69 -6.192 3.578 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.546 1.834 -7.656 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.687 4.237 -8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.517 4.135 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.058 2.807 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.201 2.700 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.326 5.256 -9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.345 5.245 -10.837 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.177 4.492 -10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.271 4.289 -12.626 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.197 4.002 -14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.337 4.140 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.486 3.919 -14.032 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.271 1.586 -10.038 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.892 0.785 -11.197 1.00 0.00 C ATOM 1070 C ASP A 70 -5.321 -0.562 -10.777 1.00 0.00 C ATOM 1071 O ASP A 70 -5.659 -1.596 -11.347 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.859 1.542 -12.049 1.00 0.00 C ATOM 1073 CG ASP A 70 -5.435 1.794 -13.429 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -5.618 0.816 -14.185 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -5.752 2.961 -13.765 1.00 0.00 O ATOM 0 H ASP A 70 -5.678 2.402 -9.890 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.791 0.607 -11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.600 2.487 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.939 0.962 -12.127 1.00 0.00 H new ATOM 1080 N MET A 71 -4.429 -0.559 -9.782 1.00 0.00 N ATOM 1081 CA MET A 71 -3.648 -1.745 -9.441 1.00 0.00 C ATOM 1082 C MET A 71 -4.413 -2.721 -8.528 1.00 0.00 C ATOM 1083 O MET A 71 -3.875 -3.775 -8.181 1.00 0.00 O ATOM 1084 CB MET A 71 -2.287 -1.309 -8.859 1.00 0.00 C ATOM 1085 CG MET A 71 -1.142 -2.054 -9.551 1.00 0.00 C ATOM 1086 SD MET A 71 0.325 -2.417 -8.559 1.00 0.00 S ATOM 1087 CE MET A 71 -0.394 -3.637 -7.430 1.00 0.00 C ATOM 0 H MET A 71 -4.232 0.255 -9.199 1.00 0.00 H new ATOM 0 HA MET A 71 -3.463 -2.315 -10.352 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.158 -0.234 -8.986 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.263 -1.508 -7.788 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.534 -2.997 -9.932 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.829 -1.466 -10.414 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.389 -4.302 -7.066 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.856 -3.124 -6.586 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.149 -4.220 -7.957 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.647 -2.403 -8.121 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.557 -3.233 -7.363 1.00 0.00 C ATOM 1099 C ASN A 72 -7.103 -4.407 -8.187 1.00 0.00 C ATOM 1100 O ASN A 72 -7.194 -4.351 -9.414 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.675 -2.290 -6.935 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.935 -2.992 -6.492 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.756 -3.450 -7.281 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.094 -3.117 -5.203 1.00 0.00 N ATOM 0 H ASN A 72 -6.054 -1.492 -8.334 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.056 -3.698 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.315 -1.663 -6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.914 -1.626 -7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.912 -3.602 -4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.400 -2.729 -4.564 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.507 -5.482 -7.505 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.268 -6.603 -8.049 1.00 0.00 C ATOM 1113 C GLY A 73 -7.443 -7.560 -8.909 1.00 0.00 C ATOM 1114 O GLY A 73 -7.790 -8.735 -8.995 1.00 0.00 O ATOM 0 H GLY A 73 -7.301 -5.597 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.710 -7.162 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.092 -6.213 -8.647 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.364 -7.071 -9.528 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.481 -7.821 -10.411 1.00 0.00 C ATOM 1120 C LYS A 74 -4.770 -8.953 -9.682 1.00 0.00 C ATOM 1121 O LYS A 74 -4.790 -9.054 -8.455 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.467 -6.848 -11.055 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.333 -6.449 -10.089 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.348 -5.432 -10.669 1.00 0.00 C ATOM 1125 CE LYS A 74 -1.647 -5.953 -11.926 1.00 0.00 C ATOM 1126 NZ LYS A 74 -0.549 -5.068 -12.363 1.00 0.00 N ATOM 0 H LYS A 74 -6.074 -6.099 -9.419 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.083 -8.288 -11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.037 -7.312 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.990 -5.951 -11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.772 -6.036 -9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.785 -7.345 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.879 -4.511 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.601 -5.183 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.252 -6.950 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.375 -6.050 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.105 -5.462 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.928 -4.123 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.160 -4.995 -11.606 1.00 0.00 H new ATOM 1140 N SER A 75 -4.011 -9.717 -10.451 1.00 0.00 N ATOM 1141 CA SER A 75 -3.140 -10.750 -9.957 1.00 0.00 C ATOM 1142 C SER A 75 -1.699 -10.263 -9.993 1.00 0.00 C ATOM 1143 O SER A 75 -1.316 -9.403 -10.798 1.00 0.00 O ATOM 1144 CB SER A 75 -3.407 -11.994 -10.809 1.00 0.00 C ATOM 1145 OG SER A 75 -2.419 -13.001 -10.769 1.00 0.00 O ATOM 0 H SER A 75 -3.990 -9.626 -11.467 1.00 0.00 H new ATOM 0 HA SER A 75 -3.329 -11.005 -8.914 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.354 -12.430 -10.491 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.533 -11.679 -11.845 1.00 0.00 H new ATOM 0 HG SER A 75 -2.406 -13.481 -11.623 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.871 -10.903 -9.176 1.00 0.00 N ATOM 1152 CA LEU A 76 0.571 -10.810 -9.168 1.00 0.00 C ATOM 1153 C LEU A 76 1.078 -12.223 -8.929 1.00 0.00 C ATOM 1154 O LEU A 76 0.711 -12.840 -7.939 1.00 0.00 O ATOM 1155 CB LEU A 76 0.997 -9.820 -8.080 1.00 0.00 C ATOM 1156 CG LEU A 76 2.468 -9.387 -8.253 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.636 -7.929 -7.827 1.00 0.00 C ATOM 1158 CD2 LEU A 76 3.472 -10.265 -7.497 1.00 0.00 C ATOM 0 H LEU A 76 -1.218 -11.539 -8.458 1.00 0.00 H new ATOM 0 HA LEU A 76 0.989 -10.434 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.352 -8.942 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.864 -10.276 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 76 2.694 -9.508 -9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.677 -7.631 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.000 -7.294 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.351 -7.821 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.482 -9.894 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.252 -10.233 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.397 -11.293 -7.852 1.00 0.00 H new ATOM 1170 N ASP A 77 1.873 -12.751 -9.853 1.00 0.00 N ATOM 1171 CA ASP A 77 2.394 -14.122 -9.856 1.00 0.00 C ATOM 1172 C ASP A 77 1.296 -15.190 -9.783 1.00 0.00 C ATOM 1173 O ASP A 77 1.455 -16.261 -9.196 1.00 0.00 O ATOM 1174 CB ASP A 77 3.524 -14.321 -8.829 1.00 0.00 C ATOM 1175 CG ASP A 77 4.767 -14.963 -9.457 1.00 0.00 C ATOM 1176 OD1 ASP A 77 4.666 -15.782 -10.405 1.00 0.00 O ATOM 1177 OD2 ASP A 77 5.868 -14.504 -9.070 1.00 0.00 O ATOM 0 H ASP A 77 2.189 -12.213 -10.660 1.00 0.00 H new ATOM 0 HA ASP A 77 2.854 -14.271 -10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.794 -13.358 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.165 -14.948 -8.013 1.00 0.00 H new ATOM 1182 N GLY A 78 0.132 -14.882 -10.359 1.00 0.00 N ATOM 1183 CA GLY A 78 -1.037 -15.749 -10.321 1.00 0.00 C ATOM 1184 C GLY A 78 -1.835 -15.653 -9.018 1.00 0.00 C ATOM 1185 O GLY A 78 -2.825 -16.369 -8.865 1.00 0.00 O ATOM 0 H GLY A 78 -0.022 -14.013 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.691 -15.498 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.717 -16.781 -10.465 1.00 0.00 H new ATOM 1189 N LYS A 79 -1.441 -14.781 -8.091 1.00 0.00 N ATOM 1190 CA LYS A 79 -2.109 -14.578 -6.813 1.00 0.00 C ATOM 1191 C LYS A 79 -2.996 -13.372 -7.012 1.00 0.00 C ATOM 1192 O LYS A 79 -2.480 -12.300 -7.318 1.00 0.00 O ATOM 1193 CB LYS A 79 -1.105 -14.323 -5.668 1.00 0.00 C ATOM 1194 CG LYS A 79 0.018 -15.365 -5.512 1.00 0.00 C ATOM 1195 CD LYS A 79 -0.531 -16.781 -5.318 1.00 0.00 C ATOM 1196 CE LYS A 79 0.562 -17.814 -5.021 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.089 -17.705 -3.643 1.00 0.00 N ATOM 0 H LYS A 79 -0.625 -14.181 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.671 -15.466 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.648 -13.346 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.659 -14.271 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.657 -15.343 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.642 -15.099 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.250 -16.776 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.072 -17.081 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.161 -18.816 -5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.380 -17.686 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.386 -18.644 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.905 -17.060 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.347 -17.334 -3.016 1.00 0.00 H new ATOM 1211 N ALA A 80 -4.307 -13.536 -6.884 1.00 0.00 N ATOM 1212 CA ALA A 80 -5.217 -12.410 -6.816 1.00 0.00 C ATOM 1213 C ALA A 80 -4.813 -11.567 -5.612 1.00 0.00 C ATOM 1214 O ALA A 80 -4.822 -12.062 -4.480 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.649 -12.910 -6.683 1.00 0.00 C ATOM 0 H ALA A 80 -4.762 -14.447 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.165 -11.807 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.328 -12.059 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.901 -13.525 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.744 -13.505 -5.774 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.449 -10.314 -5.873 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.138 -9.313 -4.870 1.00 0.00 C ATOM 1223 C ILE A 81 -5.274 -8.282 -4.829 1.00 0.00 C ATOM 1224 O ILE A 81 -6.088 -8.197 -5.758 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.723 -8.727 -5.124 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.507 -8.164 -6.545 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.660 -9.807 -4.858 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.379 -7.128 -6.618 1.00 0.00 C ATOM 0 H ILE A 81 -4.361 -9.960 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.086 -9.746 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.628 -7.886 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.281 -8.986 -7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.434 -7.708 -6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.668 -9.393 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.732 -10.142 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.826 -10.653 -5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.278 -6.771 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.613 -6.289 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.443 -7.586 -6.300 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.332 -7.475 -3.770 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.187 -6.286 -3.695 1.00 0.00 C ATOM 1242 C LYS A 82 -5.306 -5.092 -3.367 1.00 0.00 C ATOM 1243 O LYS A 82 -4.285 -5.248 -2.697 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.293 -6.437 -2.632 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.572 -7.142 -3.119 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.615 -7.116 -1.988 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.930 -7.822 -2.347 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.842 -7.876 -1.181 1.00 0.00 N ATOM 0 H LYS A 82 -4.779 -7.629 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.687 -6.148 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.889 -6.993 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.560 -5.446 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.964 -6.643 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.351 -8.170 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.190 -7.587 -1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.829 -6.080 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.416 -7.296 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.720 -8.833 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.723 -8.358 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.385 -8.399 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.059 -6.909 -0.865 1.00 0.00 H new ATOM 1262 N VAL A 83 -5.757 -3.897 -3.742 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.198 -2.622 -3.321 1.00 0.00 C ATOM 1264 C VAL A 83 -6.397 -1.794 -2.875 1.00 0.00 C ATOM 1265 O VAL A 83 -7.351 -1.682 -3.639 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.443 -1.955 -4.488 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -3.818 -0.636 -4.039 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.297 -2.826 -5.006 1.00 0.00 C ATOM 0 H VAL A 83 -6.552 -3.790 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.470 -2.728 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.182 -1.802 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.289 -0.180 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.601 0.039 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.117 -0.824 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.794 -2.315 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.585 -3.007 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.694 -3.778 -5.359 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.393 -1.250 -1.665 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.458 -0.386 -1.174 1.00 0.00 C ATOM 1280 C GLU A 84 -6.843 0.847 -0.518 1.00 0.00 C ATOM 1281 O GLU A 84 -5.622 0.969 -0.432 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.404 -1.133 -0.211 1.00 0.00 C ATOM 1283 CG GLU A 84 -8.811 -2.548 -0.657 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.236 -2.890 -0.232 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.540 -2.841 0.981 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -11.066 -3.245 -1.102 1.00 0.00 O ATOM 0 H GLU A 84 -5.643 -1.398 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.071 -0.069 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.923 -1.202 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.307 -0.537 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.727 -2.625 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.120 -3.276 -0.231 1.00 0.00 H new ATOM 1293 N GLN A 85 -7.669 1.778 -0.055 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.217 2.997 0.593 1.00 0.00 C ATOM 1295 C GLN A 85 -7.431 2.819 2.096 1.00 0.00 C ATOM 1296 O GLN A 85 -8.577 2.726 2.551 1.00 0.00 O ATOM 1297 CB GLN A 85 -7.966 4.192 -0.013 1.00 0.00 C ATOM 1298 CG GLN A 85 -7.671 4.316 -1.520 1.00 0.00 C ATOM 1299 CD GLN A 85 -8.376 5.506 -2.150 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -9.227 5.346 -3.021 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -8.052 6.716 -1.730 1.00 0.00 N ATOM 0 H GLN A 85 -8.684 1.704 -0.121 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.158 3.197 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.038 4.072 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.670 5.109 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.596 4.412 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.983 3.402 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.343 6.832 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.511 7.535 -2.130 1.00 0.00 H new ATOM 1310 N ALA A 86 -6.340 2.732 2.869 1.00 0.00 N ATOM 1311 CA ALA A 86 -6.378 2.473 4.314 1.00 0.00 C ATOM 1312 C ALA A 86 -6.757 3.749 5.074 1.00 0.00 C ATOM 1313 O ALA A 86 -5.967 4.286 5.856 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.044 1.908 4.825 1.00 0.00 C ATOM 0 H ALA A 86 -5.394 2.841 2.503 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.141 1.717 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.112 1.730 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.827 0.970 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.246 2.623 4.626 1.00 0.00 H new ATOM 1320 N THR A 87 -7.951 4.268 4.819 1.00 0.00 N ATOM 1321 CA THR A 87 -8.417 5.569 5.272 1.00 0.00 C ATOM 1322 C THR A 87 -9.944 5.465 5.403 1.00 0.00 C ATOM 1323 O THR A 87 -10.501 4.363 5.457 1.00 0.00 O ATOM 1324 CB THR A 87 -7.870 6.621 4.268 1.00 0.00 C ATOM 1325 OG1 THR A 87 -7.707 7.930 4.777 1.00 0.00 O ATOM 1326 CG2 THR A 87 -8.621 6.693 2.933 1.00 0.00 C ATOM 0 H THR A 87 -8.650 3.771 4.267 1.00 0.00 H new ATOM 0 HA THR A 87 -8.057 5.889 6.250 1.00 0.00 H new ATOM 0 HB THR A 87 -6.875 6.216 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.358 8.514 4.072 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.166 7.455 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.567 5.726 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.665 6.949 3.116 1.00 0.00 H new