USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 53 CYS SG : rot 123:sc= 1.24 USER MOD Set 1.2: A 61 CYS SG : rot -162:sc= 0.869 USER MOD Set 1.3: A 66 CYS SG : rot 128:sc= 1.24 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.336 K(o=3.7,f=2.3) USER MOD Set 2.1: A 40 SER OG : rot -70:sc= 1.49 USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= 1.31 USER MOD Set 3.1: A 19 CYS SG : rot -171:sc= 0.985 USER MOD Set 3.2: A 27 CYS SG : rot -110:sc= 0.228 USER MOD Set 3.3: A 34 CYS SG : rot -172:sc= 1.85 USER MOD Set 3.4: A 38 HIS : no HE2:sc= 0.841 K(o=3.9,f=-0.53!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00611 X(o=-0.0061,f=-0.04) USER MOD Single : A 26 THR OG1 : rot -43:sc= 0.366 USER MOD Single : A 28 SER OG : rot 180:sc=0.000394 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.971) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.981 K(o=0.98,f=-1.9) USER MOD Single : A 47 ASN : amide:sc= -0.0919 K(o=-0.092,f=-0.74) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.49 K(o=0.49,f=-2.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.715 K(o=0.72,f=-0.51) USER MOD Single : A 82 ASN : amide:sc= -0.654 X(o=-0.65,f=-1) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.557 -0.218 -15.587 1.00 0.00 N ATOM 191 CA TRP A 13 -18.821 -1.045 -16.779 1.00 0.00 C ATOM 192 C TRP A 13 -18.101 -2.407 -16.740 1.00 0.00 C ATOM 193 O TRP A 13 -18.551 -3.366 -17.369 1.00 0.00 O ATOM 194 CB TRP A 13 -18.492 -0.233 -18.049 1.00 0.00 C ATOM 195 CG TRP A 13 -17.269 -0.594 -18.845 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.152 -1.693 -19.626 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.016 0.141 -19.017 1.00 0.00 C ATOM 198 NE1 TRP A 13 -15.934 -1.688 -20.273 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.190 -0.582 -19.934 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.486 1.342 -18.497 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.914 -0.143 -20.314 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.202 1.788 -18.867 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.416 1.053 -19.772 1.00 0.00 C ATOM 0 HA TRP A 13 -19.882 -1.296 -16.792 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.351 -0.302 -18.716 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.398 0.813 -17.756 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.903 -2.462 -19.728 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.624 -2.413 -20.921 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.074 1.927 -17.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.323 -0.716 -21.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.816 2.707 -18.450 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.434 1.407 -20.049 1.00 0.00 H new ATOM 214 N LEU A 14 -16.997 -2.491 -15.990 1.00 0.00 N ATOM 215 CA LEU A 14 -16.142 -3.672 -15.840 1.00 0.00 C ATOM 216 C LEU A 14 -16.553 -4.611 -14.696 1.00 0.00 C ATOM 217 O LEU A 14 -16.069 -5.740 -14.647 1.00 0.00 O ATOM 218 CB LEU A 14 -14.694 -3.190 -15.612 1.00 0.00 C ATOM 219 CG LEU A 14 -14.096 -2.389 -16.783 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.761 -1.784 -16.361 1.00 0.00 C ATOM 221 CD2 LEU A 14 -13.837 -3.258 -18.015 1.00 0.00 C ATOM 0 H LEU A 14 -16.659 -1.698 -15.445 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.243 -4.258 -16.754 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.667 -2.572 -14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.062 -4.057 -15.421 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.825 -1.621 -17.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.340 -1.218 -17.191 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.915 -1.120 -15.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.073 -2.581 -16.079 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.416 -2.644 -18.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.136 -4.052 -17.759 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.775 -3.698 -18.354 1.00 0.00 H new ATOM 233 N THR A 15 -17.413 -4.176 -13.770 1.00 0.00 N ATOM 234 CA THR A 15 -17.857 -4.987 -12.618 1.00 0.00 C ATOM 235 C THR A 15 -18.926 -6.014 -13.044 1.00 0.00 C ATOM 236 O THR A 15 -20.126 -5.842 -12.815 1.00 0.00 O ATOM 237 CB THR A 15 -18.317 -4.123 -11.433 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.437 -3.047 -11.165 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.376 -4.913 -10.127 1.00 0.00 C ATOM 0 H THR A 15 -17.827 -3.244 -13.794 1.00 0.00 H new ATOM 0 HA THR A 15 -16.991 -5.544 -12.261 1.00 0.00 H new ATOM 0 HB THR A 15 -19.301 -3.767 -11.738 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.776 -2.529 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.706 -4.258 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.078 -5.740 -10.233 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.386 -5.305 -9.894 1.00 0.00 H new ATOM 247 N LEU A 16 -18.481 -7.083 -13.706 1.00 0.00 N ATOM 248 CA LEU A 16 -19.273 -8.186 -14.255 1.00 0.00 C ATOM 249 C LEU A 16 -19.757 -9.159 -13.165 1.00 0.00 C ATOM 250 O LEU A 16 -19.062 -9.403 -12.182 1.00 0.00 O ATOM 251 CB LEU A 16 -18.359 -8.908 -15.262 1.00 0.00 C ATOM 252 CG LEU A 16 -19.055 -9.859 -16.245 1.00 0.00 C ATOM 253 CD1 LEU A 16 -20.297 -9.271 -16.922 1.00 0.00 C ATOM 254 CD2 LEU A 16 -18.057 -10.188 -17.352 1.00 0.00 C ATOM 0 H LEU A 16 -17.485 -7.210 -13.886 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.177 -7.802 -14.728 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.820 -8.155 -15.837 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.615 -9.476 -14.704 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.381 -10.724 -15.667 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.726 -10.009 -17.600 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.033 -9.004 -16.163 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.017 -8.381 -17.485 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.520 -10.864 -18.070 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.759 -9.270 -17.858 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.178 -10.665 -16.919 1.00 0.00 H new ATOM 266 N GLU A 17 -20.946 -9.742 -13.317 1.00 0.00 N ATOM 267 CA GLU A 17 -21.475 -10.696 -12.329 1.00 0.00 C ATOM 268 C GLU A 17 -20.798 -12.071 -12.410 1.00 0.00 C ATOM 269 O GLU A 17 -20.385 -12.499 -13.491 1.00 0.00 O ATOM 270 CB GLU A 17 -22.985 -10.887 -12.491 1.00 0.00 C ATOM 271 CG GLU A 17 -23.755 -9.563 -12.542 1.00 0.00 C ATOM 272 CD GLU A 17 -25.190 -9.697 -12.008 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.670 -8.727 -11.374 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.817 -10.769 -12.194 1.00 0.00 O ATOM 0 H GLU A 17 -21.564 -9.574 -14.111 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.257 -10.259 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.178 -11.449 -13.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.360 -11.487 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.222 -8.813 -11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.785 -9.203 -13.570 1.00 0.00 H new ATOM 281 N VAL A 18 -20.726 -12.787 -11.281 1.00 0.00 N ATOM 282 CA VAL A 18 -20.174 -14.154 -11.236 1.00 0.00 C ATOM 283 C VAL A 18 -21.226 -15.202 -11.631 1.00 0.00 C ATOM 284 O VAL A 18 -22.436 -14.978 -11.477 1.00 0.00 O ATOM 285 CB VAL A 18 -19.575 -14.518 -9.860 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.551 -13.475 -9.403 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.613 -14.717 -8.748 1.00 0.00 C ATOM 0 H VAL A 18 -21.046 -12.441 -10.376 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.364 -14.165 -11.965 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.091 -15.481 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.149 -13.761 -8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.740 -13.419 -10.129 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.034 -12.501 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.105 -14.970 -7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.182 -13.797 -8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.290 -15.526 -9.023 1.00 0.00 H new ATOM 297 N CYS A 19 -20.771 -16.362 -12.112 1.00 0.00 N ATOM 298 CA CYS A 19 -21.650 -17.481 -12.449 1.00 0.00 C ATOM 299 C CYS A 19 -22.189 -18.151 -11.171 1.00 0.00 C ATOM 300 O CYS A 19 -21.446 -18.483 -10.241 1.00 0.00 O ATOM 301 CB CYS A 19 -20.903 -18.458 -13.357 1.00 0.00 C ATOM 302 SG CYS A 19 -21.956 -19.891 -13.752 1.00 0.00 S ATOM 0 H CYS A 19 -19.782 -16.550 -12.278 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.520 -17.118 -12.997 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.604 -17.954 -14.276 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.990 -18.794 -12.866 1.00 0.00 H new ATOM 0 HG CYS A 19 -21.250 -20.792 -14.369 1.00 0.00 H new ATOM 307 N ARG A 20 -23.511 -18.331 -11.119 1.00 0.00 N ATOM 308 CA ARG A 20 -24.239 -18.902 -9.975 1.00 0.00 C ATOM 309 C ARG A 20 -23.938 -20.381 -9.748 1.00 0.00 C ATOM 310 O ARG A 20 -24.008 -20.842 -8.609 1.00 0.00 O ATOM 311 CB ARG A 20 -25.752 -18.722 -10.162 1.00 0.00 C ATOM 312 CG ARG A 20 -26.242 -17.261 -10.143 1.00 0.00 C ATOM 313 CD ARG A 20 -25.904 -16.463 -11.414 1.00 0.00 C ATOM 314 NE ARG A 20 -26.758 -15.268 -11.544 1.00 0.00 N ATOM 315 CZ ARG A 20 -26.384 -14.016 -11.745 1.00 0.00 C ATOM 316 NH1 ARG A 20 -27.274 -13.078 -11.872 1.00 0.00 N ATOM 317 NH2 ARG A 20 -25.148 -13.616 -11.823 1.00 0.00 N ATOM 0 H ARG A 20 -24.126 -18.077 -11.892 1.00 0.00 H new ATOM 0 HA ARG A 20 -23.895 -18.358 -9.095 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.042 -19.174 -11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.268 -19.273 -9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.323 -17.254 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.804 -16.754 -9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.857 -16.162 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.031 -17.100 -12.289 1.00 0.00 H new ATOM 0 HE ARG A 20 -27.763 -15.427 -11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -28.267 -13.306 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -26.980 -12.114 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.387 -14.289 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.940 -12.630 -11.980 1.00 0.00 H new ATOM 331 N GLU A 21 -23.583 -21.116 -10.796 1.00 0.00 N ATOM 332 CA GLU A 21 -23.237 -22.536 -10.702 1.00 0.00 C ATOM 333 C GLU A 21 -21.762 -22.695 -10.302 1.00 0.00 C ATOM 334 O GLU A 21 -21.413 -23.564 -9.499 1.00 0.00 O ATOM 335 CB GLU A 21 -23.509 -23.233 -12.040 1.00 0.00 C ATOM 336 CG GLU A 21 -24.962 -23.120 -12.534 1.00 0.00 C ATOM 337 CD GLU A 21 -25.960 -23.804 -11.579 1.00 0.00 C ATOM 338 OE1 GLU A 21 -26.171 -25.035 -11.694 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.557 -23.113 -10.717 1.00 0.00 O ATOM 0 H GLU A 21 -23.526 -20.743 -11.744 1.00 0.00 H new ATOM 0 HA GLU A 21 -23.856 -23.002 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.847 -22.811 -12.796 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.252 -24.288 -11.945 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.227 -22.068 -12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.043 -23.570 -13.524 1.00 0.00 H new ATOM 346 N PHE A 22 -20.893 -21.808 -10.796 1.00 0.00 N ATOM 347 CA PHE A 22 -19.480 -21.743 -10.420 1.00 0.00 C ATOM 348 C PHE A 22 -19.324 -21.405 -8.929 1.00 0.00 C ATOM 349 O PHE A 22 -18.408 -21.905 -8.275 1.00 0.00 O ATOM 350 CB PHE A 22 -18.795 -20.698 -11.300 1.00 0.00 C ATOM 351 CG PHE A 22 -17.293 -20.594 -11.136 1.00 0.00 C ATOM 352 CD1 PHE A 22 -16.735 -19.575 -10.341 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.450 -21.500 -11.807 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.340 -19.465 -10.219 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.054 -21.384 -11.690 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.499 -20.365 -10.897 1.00 0.00 C ATOM 0 H PHE A 22 -21.159 -21.102 -11.482 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.010 -22.714 -10.575 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.015 -20.926 -12.343 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.235 -19.724 -11.087 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.379 -18.878 -9.825 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.877 -22.286 -12.413 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.913 -18.688 -9.603 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.409 -22.077 -12.209 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.427 -20.273 -10.808 1.00 0.00 H new ATOM 366 N GLN A 23 -20.264 -20.635 -8.357 1.00 0.00 N ATOM 367 CA GLN A 23 -20.304 -20.320 -6.919 1.00 0.00 C ATOM 368 C GLN A 23 -20.483 -21.572 -6.030 1.00 0.00 C ATOM 369 O GLN A 23 -20.212 -21.520 -4.829 1.00 0.00 O ATOM 370 CB GLN A 23 -21.412 -19.289 -6.625 1.00 0.00 C ATOM 371 CG GLN A 23 -21.034 -17.850 -7.004 1.00 0.00 C ATOM 372 CD GLN A 23 -20.053 -17.223 -6.015 1.00 0.00 C ATOM 373 OE1 GLN A 23 -18.841 -17.328 -6.145 1.00 0.00 O ATOM 374 NE2 GLN A 23 -20.529 -16.551 -4.988 1.00 0.00 N ATOM 0 H GLN A 23 -21.026 -20.209 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.334 -19.893 -6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.313 -19.573 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.655 -19.323 -5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -20.593 -17.844 -8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.937 -17.241 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.537 -16.454 -4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.890 -16.127 -4.315 1.00 0.00 H new ATOM 383 N ARG A 24 -20.904 -22.704 -6.619 1.00 0.00 N ATOM 384 CA ARG A 24 -21.075 -24.022 -5.977 1.00 0.00 C ATOM 385 C ARG A 24 -20.174 -25.092 -6.627 1.00 0.00 C ATOM 386 O ARG A 24 -20.348 -26.287 -6.381 1.00 0.00 O ATOM 387 CB ARG A 24 -22.566 -24.434 -5.981 1.00 0.00 C ATOM 388 CG ARG A 24 -23.476 -23.572 -5.088 1.00 0.00 C ATOM 389 CD ARG A 24 -24.046 -22.336 -5.795 1.00 0.00 C ATOM 390 NE ARG A 24 -24.917 -21.559 -4.894 1.00 0.00 N ATOM 391 CZ ARG A 24 -25.561 -20.445 -5.191 1.00 0.00 C ATOM 392 NH1 ARG A 24 -26.293 -19.848 -4.295 1.00 0.00 N ATOM 393 NH2 ARG A 24 -25.493 -19.901 -6.373 1.00 0.00 N ATOM 0 H ARG A 24 -21.148 -22.727 -7.609 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.756 -23.941 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -22.938 -24.390 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -22.642 -25.472 -5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -24.301 -24.185 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -22.911 -23.250 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -23.229 -21.706 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -24.612 -22.645 -6.674 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.034 -21.918 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.372 -20.240 -3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.788 -18.988 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -24.929 -20.336 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.004 -19.040 -6.568 1.00 0.00 H new ATOM 407 N GLY A 25 -19.206 -24.673 -7.453 1.00 0.00 N ATOM 408 CA GLY A 25 -18.252 -25.539 -8.156 1.00 0.00 C ATOM 409 C GLY A 25 -18.897 -26.586 -9.073 1.00 0.00 C ATOM 410 O GLY A 25 -18.409 -27.716 -9.142 1.00 0.00 O ATOM 0 H GLY A 25 -19.061 -23.684 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.585 -24.915 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.635 -26.052 -7.418 1.00 0.00 H new ATOM 414 N THR A 26 -20.009 -26.242 -9.738 1.00 0.00 N ATOM 415 CA THR A 26 -20.788 -27.178 -10.576 1.00 0.00 C ATOM 416 C THR A 26 -21.165 -26.649 -11.975 1.00 0.00 C ATOM 417 O THR A 26 -21.974 -27.275 -12.667 1.00 0.00 O ATOM 418 CB THR A 26 -21.999 -27.689 -9.766 1.00 0.00 C ATOM 419 OG1 THR A 26 -22.590 -28.828 -10.359 1.00 0.00 O ATOM 420 CG2 THR A 26 -23.088 -26.639 -9.536 1.00 0.00 C ATOM 0 H THR A 26 -20.400 -25.300 -9.712 1.00 0.00 H new ATOM 0 HA THR A 26 -20.135 -28.017 -10.816 1.00 0.00 H new ATOM 0 HB THR A 26 -21.577 -27.948 -8.795 1.00 0.00 H new ATOM 0 HG1 THR A 26 -22.658 -28.695 -11.328 1.00 0.00 H new ATOM 0 HG21 THR A 26 -23.902 -27.079 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 26 -22.670 -25.795 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 26 -23.469 -26.294 -10.497 1.00 0.00 H new ATOM 428 N CYS A 27 -20.578 -25.531 -12.432 1.00 0.00 N ATOM 429 CA CYS A 27 -20.821 -24.998 -13.779 1.00 0.00 C ATOM 430 C CYS A 27 -20.387 -26.018 -14.860 1.00 0.00 C ATOM 431 O CYS A 27 -19.296 -26.598 -14.801 1.00 0.00 O ATOM 432 CB CYS A 27 -20.132 -23.631 -13.937 1.00 0.00 C ATOM 433 SG CYS A 27 -20.672 -22.845 -15.491 1.00 0.00 S ATOM 0 H CYS A 27 -19.925 -24.975 -11.880 1.00 0.00 H new ATOM 0 HA CYS A 27 -21.890 -24.838 -13.918 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.377 -22.990 -13.090 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.049 -23.757 -13.939 1.00 0.00 H new ATOM 0 HG CYS A 27 -19.684 -22.830 -16.336 1.00 0.00 H new ATOM 438 N SER A 28 -21.261 -26.259 -15.842 1.00 0.00 N ATOM 439 CA SER A 28 -21.078 -27.215 -16.946 1.00 0.00 C ATOM 440 C SER A 28 -20.261 -26.674 -18.136 1.00 0.00 C ATOM 441 O SER A 28 -20.160 -27.343 -19.171 1.00 0.00 O ATOM 442 CB SER A 28 -22.461 -27.682 -17.424 1.00 0.00 C ATOM 443 OG SER A 28 -23.260 -26.583 -17.847 1.00 0.00 O ATOM 0 H SER A 28 -22.156 -25.773 -15.894 1.00 0.00 H new ATOM 0 HA SER A 28 -20.490 -28.043 -16.550 1.00 0.00 H new ATOM 0 HB2 SER A 28 -22.345 -28.388 -18.247 1.00 0.00 H new ATOM 0 HB3 SER A 28 -22.967 -28.213 -16.618 1.00 0.00 H new ATOM 0 HG SER A 28 -24.134 -26.910 -18.147 1.00 0.00 H new ATOM 449 N ARG A 29 -19.684 -25.470 -18.016 1.00 0.00 N ATOM 450 CA ARG A 29 -18.946 -24.758 -19.073 1.00 0.00 C ATOM 451 C ARG A 29 -17.545 -24.302 -18.640 1.00 0.00 C ATOM 452 O ARG A 29 -17.332 -24.029 -17.453 1.00 0.00 O ATOM 453 CB ARG A 29 -19.747 -23.492 -19.413 1.00 0.00 C ATOM 454 CG ARG A 29 -21.122 -23.767 -20.041 1.00 0.00 C ATOM 455 CD ARG A 29 -21.911 -22.459 -20.178 1.00 0.00 C ATOM 456 NE ARG A 29 -22.275 -21.890 -18.866 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.225 -22.268 -18.033 1.00 0.00 C ATOM 458 NH1 ARG A 29 -24.094 -23.201 -18.319 1.00 0.00 N ATOM 459 NH2 ARG A 29 -23.311 -21.684 -16.881 1.00 0.00 N ATOM 0 H ARG A 29 -19.719 -24.942 -17.144 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.827 -25.445 -19.911 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -19.886 -22.908 -18.503 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -19.163 -22.879 -20.099 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -20.997 -24.229 -21.020 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.678 -24.473 -19.424 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -21.317 -21.734 -20.735 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -22.816 -22.641 -20.757 1.00 0.00 H new ATOM 0 HE ARG A 29 -21.714 -21.094 -18.561 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -24.056 -23.674 -19.222 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.810 -23.457 -17.639 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -22.651 -20.947 -16.632 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -24.038 -21.961 -16.222 1.00 0.00 H new ATOM 473 N PRO A 30 -16.594 -24.160 -19.585 1.00 0.00 N ATOM 474 CA PRO A 30 -15.289 -23.580 -19.290 1.00 0.00 C ATOM 475 C PRO A 30 -15.449 -22.063 -19.080 1.00 0.00 C ATOM 476 O PRO A 30 -16.429 -21.451 -19.521 1.00 0.00 O ATOM 477 CB PRO A 30 -14.422 -23.903 -20.510 1.00 0.00 C ATOM 478 CG PRO A 30 -15.430 -23.904 -21.658 1.00 0.00 C ATOM 479 CD PRO A 30 -16.704 -24.453 -21.010 1.00 0.00 C ATOM 0 HA PRO A 30 -14.834 -23.976 -18.382 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.641 -23.157 -20.659 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.925 -24.868 -20.408 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.583 -22.902 -22.060 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.097 -24.531 -22.485 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.591 -23.984 -21.437 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.797 -25.526 -21.181 1.00 0.00 H new ATOM 487 N ASP A 31 -14.467 -21.442 -18.424 1.00 0.00 N ATOM 488 CA ASP A 31 -14.450 -20.001 -18.101 1.00 0.00 C ATOM 489 C ASP A 31 -14.623 -19.082 -19.334 1.00 0.00 C ATOM 490 O ASP A 31 -15.030 -17.926 -19.219 1.00 0.00 O ATOM 491 CB ASP A 31 -13.140 -19.649 -17.369 1.00 0.00 C ATOM 492 CG ASP A 31 -12.795 -20.532 -16.150 1.00 0.00 C ATOM 493 OD1 ASP A 31 -13.679 -21.231 -15.599 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.605 -20.539 -15.752 1.00 0.00 O ATOM 0 H ASP A 31 -13.637 -21.933 -18.091 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.312 -19.819 -17.460 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.319 -19.711 -18.083 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.198 -18.612 -17.038 1.00 0.00 H new ATOM 499 N THR A 32 -14.312 -19.611 -20.520 1.00 0.00 N ATOM 500 CA THR A 32 -14.400 -18.961 -21.837 1.00 0.00 C ATOM 501 C THR A 32 -15.785 -18.992 -22.498 1.00 0.00 C ATOM 502 O THR A 32 -16.049 -18.150 -23.359 1.00 0.00 O ATOM 503 CB THR A 32 -13.414 -19.615 -22.820 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.495 -21.026 -22.738 1.00 0.00 O ATOM 505 CG2 THR A 32 -11.972 -19.210 -22.517 1.00 0.00 C ATOM 0 H THR A 32 -13.969 -20.569 -20.594 1.00 0.00 H new ATOM 0 HA THR A 32 -14.163 -17.917 -21.632 1.00 0.00 H new ATOM 0 HB THR A 32 -13.688 -19.273 -23.818 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.863 -21.427 -23.371 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.302 -19.690 -23.230 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.873 -18.127 -22.598 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.711 -19.523 -21.506 1.00 0.00 H new ATOM 513 N GLU A 33 -16.677 -19.923 -22.130 1.00 0.00 N ATOM 514 CA GLU A 33 -18.011 -20.061 -22.748 1.00 0.00 C ATOM 515 C GLU A 33 -19.147 -19.468 -21.908 1.00 0.00 C ATOM 516 O GLU A 33 -20.144 -19.012 -22.470 1.00 0.00 O ATOM 517 CB GLU A 33 -18.333 -21.554 -22.995 1.00 0.00 C ATOM 518 CG GLU A 33 -19.209 -21.839 -24.228 1.00 0.00 C ATOM 519 CD GLU A 33 -20.720 -21.632 -23.995 1.00 0.00 C ATOM 520 OE1 GLU A 33 -21.299 -20.657 -24.531 1.00 0.00 O ATOM 521 OE2 GLU A 33 -21.358 -22.461 -23.308 1.00 0.00 O ATOM 0 H GLU A 33 -16.497 -20.605 -21.394 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.958 -19.501 -23.681 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.395 -22.099 -23.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -18.834 -21.952 -22.113 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.887 -21.193 -25.045 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.040 -22.867 -24.549 1.00 0.00 H new ATOM 528 N CYS A 34 -19.020 -19.504 -20.578 1.00 0.00 N ATOM 529 CA CYS A 34 -20.082 -19.088 -19.671 1.00 0.00 C ATOM 530 C CYS A 34 -20.588 -17.643 -19.877 1.00 0.00 C ATOM 531 O CYS A 34 -19.873 -16.738 -20.325 1.00 0.00 O ATOM 532 CB CYS A 34 -19.675 -19.413 -18.231 1.00 0.00 C ATOM 533 SG CYS A 34 -21.177 -19.578 -17.227 1.00 0.00 S ATOM 0 H CYS A 34 -18.175 -19.824 -20.104 1.00 0.00 H new ATOM 0 HA CYS A 34 -20.970 -19.671 -19.917 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.097 -20.336 -18.201 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.038 -18.624 -17.831 1.00 0.00 H new ATOM 0 HG CYS A 34 -20.851 -19.679 -15.973 1.00 0.00 H new ATOM 538 N LYS A 35 -21.871 -17.462 -19.548 1.00 0.00 N ATOM 539 CA LYS A 35 -22.654 -16.225 -19.683 1.00 0.00 C ATOM 540 C LYS A 35 -22.431 -15.238 -18.522 1.00 0.00 C ATOM 541 O LYS A 35 -22.942 -14.118 -18.572 1.00 0.00 O ATOM 542 CB LYS A 35 -24.140 -16.593 -19.872 1.00 0.00 C ATOM 543 CG LYS A 35 -24.502 -17.120 -21.280 1.00 0.00 C ATOM 544 CD LYS A 35 -23.830 -18.440 -21.710 1.00 0.00 C ATOM 545 CE LYS A 35 -24.430 -18.945 -23.029 1.00 0.00 C ATOM 546 NZ LYS A 35 -23.830 -20.234 -23.464 1.00 0.00 N ATOM 0 H LYS A 35 -22.427 -18.222 -19.156 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.305 -15.689 -20.566 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.409 -17.350 -19.135 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -24.748 -15.713 -19.661 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -25.583 -17.255 -21.327 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.245 -16.352 -22.009 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -22.757 -18.287 -21.827 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -23.962 -19.192 -20.932 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -25.507 -19.069 -22.912 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -24.278 -18.195 -23.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.406 -20.645 -24.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.864 -20.068 -23.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -23.800 -20.892 -22.659 1.00 0.00 H new ATOM 560 N PHE A 36 -21.619 -15.620 -17.535 1.00 0.00 N ATOM 561 CA PHE A 36 -21.169 -14.820 -16.388 1.00 0.00 C ATOM 562 C PHE A 36 -19.668 -15.090 -16.124 1.00 0.00 C ATOM 563 O PHE A 36 -19.073 -15.990 -16.722 1.00 0.00 O ATOM 564 CB PHE A 36 -22.024 -15.135 -15.154 1.00 0.00 C ATOM 565 CG PHE A 36 -23.510 -14.851 -15.269 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.440 -15.908 -15.221 1.00 0.00 C ATOM 567 CD2 PHE A 36 -23.968 -13.524 -15.373 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.820 -15.638 -15.277 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.348 -13.254 -15.426 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.273 -14.311 -15.377 1.00 0.00 C ATOM 0 H PHE A 36 -21.229 -16.562 -17.512 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.291 -13.760 -16.611 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.896 -16.190 -14.911 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.632 -14.564 -14.312 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -24.093 -16.928 -15.141 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.258 -12.711 -15.412 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -26.531 -16.450 -15.243 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -25.696 -12.235 -15.504 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.332 -14.104 -15.416 1.00 0.00 H new ATOM 580 N ALA A 37 -19.024 -14.304 -15.255 1.00 0.00 N ATOM 581 CA ALA A 37 -17.589 -14.405 -14.987 1.00 0.00 C ATOM 582 C ALA A 37 -17.200 -15.540 -14.010 1.00 0.00 C ATOM 583 O ALA A 37 -17.950 -15.878 -13.089 1.00 0.00 O ATOM 584 CB ALA A 37 -17.131 -13.038 -14.478 1.00 0.00 C ATOM 0 H ALA A 37 -19.489 -13.575 -14.715 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.080 -14.677 -15.912 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.062 -13.068 -14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.328 -12.282 -15.238 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.676 -12.788 -13.568 1.00 0.00 H new ATOM 590 N HIS A 38 -15.998 -16.102 -14.196 1.00 0.00 N ATOM 591 CA HIS A 38 -15.426 -17.204 -13.404 1.00 0.00 C ATOM 592 C HIS A 38 -14.083 -16.782 -12.742 1.00 0.00 C ATOM 593 O HIS A 38 -13.019 -16.987 -13.337 1.00 0.00 O ATOM 594 CB HIS A 38 -15.228 -18.446 -14.305 1.00 0.00 C ATOM 595 CG HIS A 38 -16.439 -19.288 -14.635 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.376 -20.577 -15.113 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.770 -18.962 -14.567 1.00 0.00 C ATOM 598 CE1 HIS A 38 -17.628 -21.015 -15.330 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.518 -20.063 -15.003 1.00 0.00 N ATOM 0 H HIS A 38 -15.368 -15.788 -14.935 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.121 -17.454 -12.603 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.790 -18.109 -15.245 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.494 -19.092 -13.825 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -15.522 -21.111 -15.275 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.173 -18.017 -14.234 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.882 -21.992 -15.713 1.00 0.00 H new ATOM 607 N PRO A 39 -14.090 -16.164 -11.539 1.00 0.00 N ATOM 608 CA PRO A 39 -12.867 -15.710 -10.857 1.00 0.00 C ATOM 609 C PRO A 39 -11.915 -16.840 -10.425 1.00 0.00 C ATOM 610 O PRO A 39 -12.347 -17.936 -10.063 1.00 0.00 O ATOM 611 CB PRO A 39 -13.344 -14.942 -9.617 1.00 0.00 C ATOM 612 CG PRO A 39 -14.753 -15.472 -9.357 1.00 0.00 C ATOM 613 CD PRO A 39 -15.268 -15.825 -10.750 1.00 0.00 C ATOM 0 HA PRO A 39 -12.284 -15.107 -11.553 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.689 -15.120 -8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.351 -13.867 -9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.739 -16.343 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.381 -14.722 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.964 -16.663 -10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.805 -14.986 -11.192 1.00 0.00 H new ATOM 621 N SER A 40 -10.611 -16.544 -10.389 1.00 0.00 N ATOM 622 CA SER A 40 -9.565 -17.449 -9.887 1.00 0.00 C ATOM 623 C SER A 40 -9.351 -17.280 -8.373 1.00 0.00 C ATOM 624 O SER A 40 -10.014 -16.478 -7.708 1.00 0.00 O ATOM 625 CB SER A 40 -8.232 -17.175 -10.605 1.00 0.00 C ATOM 626 OG SER A 40 -7.626 -15.991 -10.107 1.00 0.00 O ATOM 0 H SER A 40 -10.243 -15.650 -10.714 1.00 0.00 H new ATOM 0 HA SER A 40 -9.897 -18.468 -10.086 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.558 -18.020 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.404 -17.078 -11.677 1.00 0.00 H new ATOM 0 HG SER A 40 -8.142 -15.211 -10.400 1.00 0.00 H new ATOM 632 N LYS A 41 -8.351 -17.992 -7.838 1.00 0.00 N ATOM 633 CA LYS A 41 -7.875 -17.883 -6.449 1.00 0.00 C ATOM 634 C LYS A 41 -7.336 -16.480 -6.094 1.00 0.00 C ATOM 635 O LYS A 41 -7.239 -16.159 -4.908 1.00 0.00 O ATOM 636 CB LYS A 41 -6.778 -18.939 -6.233 1.00 0.00 C ATOM 637 CG LYS A 41 -7.342 -20.369 -6.176 1.00 0.00 C ATOM 638 CD LYS A 41 -6.224 -21.390 -5.911 1.00 0.00 C ATOM 639 CE LYS A 41 -6.756 -22.821 -5.734 1.00 0.00 C ATOM 640 NZ LYS A 41 -7.294 -23.394 -6.997 1.00 0.00 N ATOM 0 H LYS A 41 -7.832 -18.685 -8.377 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.726 -18.053 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.049 -18.871 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.248 -18.723 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.095 -20.436 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.840 -20.605 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.516 -21.370 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.675 -21.098 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.954 -23.459 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.540 -22.822 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.639 -24.359 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.078 -22.803 -7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.541 -23.421 -7.714 1.00 0.00 H new ATOM 654 N SER A 42 -6.995 -15.654 -7.092 1.00 0.00 N ATOM 655 CA SER A 42 -6.442 -14.295 -6.918 1.00 0.00 C ATOM 656 C SER A 42 -7.402 -13.158 -7.304 1.00 0.00 C ATOM 657 O SER A 42 -7.212 -12.028 -6.850 1.00 0.00 O ATOM 658 CB SER A 42 -5.139 -14.147 -7.718 1.00 0.00 C ATOM 659 OG SER A 42 -4.191 -15.122 -7.303 1.00 0.00 O ATOM 0 H SER A 42 -7.097 -15.916 -8.072 1.00 0.00 H new ATOM 0 HA SER A 42 -6.261 -14.194 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.343 -14.259 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.729 -13.147 -7.576 1.00 0.00 H new ATOM 0 HG SER A 42 -3.366 -15.018 -7.822 1.00 0.00 H new ATOM 665 N CYS A 43 -8.426 -13.416 -8.127 1.00 0.00 N ATOM 666 CA CYS A 43 -9.395 -12.405 -8.558 1.00 0.00 C ATOM 667 C CYS A 43 -10.230 -11.825 -7.397 1.00 0.00 C ATOM 668 O CYS A 43 -10.709 -12.558 -6.529 1.00 0.00 O ATOM 669 CB CYS A 43 -10.318 -13.006 -9.622 1.00 0.00 C ATOM 670 SG CYS A 43 -9.367 -13.483 -11.096 1.00 0.00 S ATOM 0 H CYS A 43 -8.605 -14.342 -8.515 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.827 -11.572 -8.972 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.831 -13.877 -9.216 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.086 -12.283 -9.896 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.169 -13.992 -11.984 1.00 0.00 H new ATOM 676 N GLN A 44 -10.433 -10.504 -7.401 1.00 0.00 N ATOM 677 CA GLN A 44 -11.219 -9.775 -6.399 1.00 0.00 C ATOM 678 C GLN A 44 -12.725 -9.833 -6.720 1.00 0.00 C ATOM 679 O GLN A 44 -13.128 -9.630 -7.870 1.00 0.00 O ATOM 680 CB GLN A 44 -10.688 -8.327 -6.342 1.00 0.00 C ATOM 681 CG GLN A 44 -11.083 -7.537 -5.079 1.00 0.00 C ATOM 682 CD GLN A 44 -12.413 -6.776 -5.139 1.00 0.00 C ATOM 683 OE1 GLN A 44 -13.223 -6.904 -6.045 1.00 0.00 O ATOM 684 NE2 GLN A 44 -12.673 -5.933 -4.163 1.00 0.00 N ATOM 0 H GLN A 44 -10.045 -9.895 -8.121 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.107 -10.238 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.600 -8.352 -6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.051 -7.788 -7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.125 -8.232 -4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.290 -6.822 -4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.007 -5.815 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.541 -5.397 -4.170 1.00 0.00 H new ATOM 693 N VAL A 45 -13.553 -10.114 -5.704 1.00 0.00 N ATOM 694 CA VAL A 45 -15.019 -10.210 -5.804 1.00 0.00 C ATOM 695 C VAL A 45 -15.724 -9.569 -4.609 1.00 0.00 C ATOM 696 O VAL A 45 -15.260 -9.664 -3.470 1.00 0.00 O ATOM 697 CB VAL A 45 -15.520 -11.656 -6.058 1.00 0.00 C ATOM 698 CG1 VAL A 45 -14.448 -12.754 -6.056 1.00 0.00 C ATOM 699 CG2 VAL A 45 -16.729 -12.136 -5.246 1.00 0.00 C ATOM 0 H VAL A 45 -13.211 -10.287 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.291 -9.633 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.864 -11.514 -7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.916 -13.720 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.715 -12.548 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.950 -12.774 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -16.970 -13.162 -5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -16.493 -12.095 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -17.585 -11.493 -5.453 1.00 0.00 H new ATOM 709 N GLU A 46 -16.882 -8.962 -4.876 1.00 0.00 N ATOM 710 CA GLU A 46 -17.773 -8.335 -3.895 1.00 0.00 C ATOM 711 C GLU A 46 -19.245 -8.471 -4.324 1.00 0.00 C ATOM 712 O GLU A 46 -19.567 -8.313 -5.501 1.00 0.00 O ATOM 713 CB GLU A 46 -17.453 -6.834 -3.754 1.00 0.00 C ATOM 714 CG GLU A 46 -16.112 -6.541 -3.072 1.00 0.00 C ATOM 715 CD GLU A 46 -15.873 -5.026 -2.943 1.00 0.00 C ATOM 716 OE1 GLU A 46 -15.074 -4.472 -3.737 1.00 0.00 O ATOM 717 OE2 GLU A 46 -16.461 -4.386 -2.037 1.00 0.00 O ATOM 0 H GLU A 46 -17.242 -8.890 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.616 -8.844 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.452 -6.379 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.250 -6.356 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.096 -7.000 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.303 -6.992 -3.646 1.00 0.00 H new ATOM 724 N ASN A 47 -20.145 -8.728 -3.364 1.00 0.00 N ATOM 725 CA ASN A 47 -21.607 -8.847 -3.537 1.00 0.00 C ATOM 726 C ASN A 47 -22.087 -9.619 -4.796 1.00 0.00 C ATOM 727 O ASN A 47 -23.068 -9.237 -5.440 1.00 0.00 O ATOM 728 CB ASN A 47 -22.209 -7.433 -3.432 1.00 0.00 C ATOM 729 CG ASN A 47 -23.708 -7.423 -3.153 1.00 0.00 C ATOM 730 OD1 ASN A 47 -24.268 -8.317 -2.532 1.00 0.00 O ATOM 731 ND2 ASN A 47 -24.408 -6.396 -3.582 1.00 0.00 N ATOM 0 H ASN A 47 -19.862 -8.866 -2.394 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.978 -9.488 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.697 -6.888 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -22.018 -6.897 -4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -25.410 -6.348 -3.397 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.949 -5.647 -4.100 1.00 0.00 H new ATOM 738 N GLY A 48 -21.390 -10.698 -5.173 1.00 0.00 N ATOM 739 CA GLY A 48 -21.741 -11.511 -6.345 1.00 0.00 C ATOM 740 C GLY A 48 -21.197 -10.999 -7.688 1.00 0.00 C ATOM 741 O GLY A 48 -21.684 -11.412 -8.744 1.00 0.00 O ATOM 0 H GLY A 48 -20.566 -11.033 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.374 -12.525 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.827 -11.572 -6.412 1.00 0.00 H new ATOM 745 N ARG A 49 -20.204 -10.101 -7.678 1.00 0.00 N ATOM 746 CA ARG A 49 -19.582 -9.519 -8.879 1.00 0.00 C ATOM 747 C ARG A 49 -18.060 -9.449 -8.760 1.00 0.00 C ATOM 748 O ARG A 49 -17.506 -9.518 -7.665 1.00 0.00 O ATOM 749 CB ARG A 49 -20.188 -8.134 -9.200 1.00 0.00 C ATOM 750 CG ARG A 49 -21.726 -8.118 -9.215 1.00 0.00 C ATOM 751 CD ARG A 49 -22.298 -6.843 -9.841 1.00 0.00 C ATOM 752 NE ARG A 49 -23.765 -6.956 -9.968 1.00 0.00 N ATOM 753 CZ ARG A 49 -24.703 -6.428 -9.209 1.00 0.00 C ATOM 754 NH1 ARG A 49 -25.939 -6.742 -9.436 1.00 0.00 N ATOM 755 NH2 ARG A 49 -24.468 -5.605 -8.229 1.00 0.00 N ATOM 0 H ARG A 49 -19.798 -9.748 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.803 -10.184 -9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.834 -7.413 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.821 -7.803 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.089 -8.984 -9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.096 -8.214 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.044 -5.980 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.852 -6.678 -10.822 1.00 0.00 H new ATOM 0 HE ARG A 49 -24.097 -7.520 -10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -26.171 -7.387 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -26.680 -6.344 -8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.510 -5.333 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.242 -5.232 -7.679 1.00 0.00 H new ATOM 769 N VAL A 50 -17.398 -9.319 -9.904 1.00 0.00 N ATOM 770 CA VAL A 50 -15.940 -9.276 -10.109 1.00 0.00 C ATOM 771 C VAL A 50 -15.587 -8.161 -11.093 1.00 0.00 C ATOM 772 O VAL A 50 -16.378 -7.851 -11.977 1.00 0.00 O ATOM 773 CB VAL A 50 -15.428 -10.612 -10.688 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.396 -11.723 -9.644 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.242 -11.148 -11.874 1.00 0.00 C ATOM 0 H VAL A 50 -17.900 -9.233 -10.788 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.471 -9.094 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.425 -10.359 -11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.029 -12.642 -10.101 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.735 -11.435 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.402 -11.887 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.811 -12.089 -12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.273 -11.314 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.221 -10.423 -12.687 1.00 0.00 H new ATOM 785 N ILE A 51 -14.406 -7.554 -10.977 1.00 0.00 N ATOM 786 CA ILE A 51 -13.992 -6.456 -11.869 1.00 0.00 C ATOM 787 C ILE A 51 -13.076 -6.997 -12.978 1.00 0.00 C ATOM 788 O ILE A 51 -12.086 -7.681 -12.707 1.00 0.00 O ATOM 789 CB ILE A 51 -13.346 -5.306 -11.058 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.359 -4.801 -10.007 1.00 0.00 C ATOM 791 CG2 ILE A 51 -12.910 -4.162 -11.993 1.00 0.00 C ATOM 792 CD1 ILE A 51 -13.937 -3.587 -9.175 1.00 0.00 C ATOM 0 H ILE A 51 -13.712 -7.801 -10.272 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.869 -6.032 -12.357 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.455 -5.675 -10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.289 -4.555 -10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.579 -5.622 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.458 -3.363 -11.405 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.183 -4.538 -12.713 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.780 -3.774 -12.524 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.733 -3.331 -8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.029 -3.824 -8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.749 -2.741 -9.836 1.00 0.00 H new ATOM 804 N ALA A 52 -13.411 -6.698 -14.235 1.00 0.00 N ATOM 805 CA ALA A 52 -12.631 -7.084 -15.408 1.00 0.00 C ATOM 806 C ALA A 52 -11.339 -6.247 -15.536 1.00 0.00 C ATOM 807 O ALA A 52 -11.299 -5.075 -15.151 1.00 0.00 O ATOM 808 CB ALA A 52 -13.523 -6.981 -16.651 1.00 0.00 C ATOM 0 H ALA A 52 -14.251 -6.169 -14.469 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.300 -8.117 -15.301 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.951 -7.267 -17.534 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.378 -7.647 -16.541 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.874 -5.955 -16.763 1.00 0.00 H new ATOM 814 N CYS A 53 -10.280 -6.861 -16.069 1.00 0.00 N ATOM 815 CA CYS A 53 -8.959 -6.263 -16.225 1.00 0.00 C ATOM 816 C CYS A 53 -8.932 -5.144 -17.283 1.00 0.00 C ATOM 817 O CYS A 53 -8.869 -5.380 -18.498 1.00 0.00 O ATOM 818 CB CYS A 53 -7.931 -7.375 -16.487 1.00 0.00 C ATOM 819 SG CYS A 53 -6.230 -6.736 -16.332 1.00 0.00 S ATOM 0 H CYS A 53 -10.324 -7.820 -16.414 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.688 -5.760 -15.297 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.083 -8.191 -15.780 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -8.080 -7.786 -17.485 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.589 -7.422 -15.433 1.00 0.00 H new ATOM 824 N PHE A 54 -8.979 -3.901 -16.798 1.00 0.00 N ATOM 825 CA PHE A 54 -8.862 -2.701 -17.626 1.00 0.00 C ATOM 826 C PHE A 54 -7.497 -2.673 -18.327 1.00 0.00 C ATOM 827 O PHE A 54 -7.417 -2.315 -19.500 1.00 0.00 O ATOM 828 CB PHE A 54 -9.066 -1.433 -16.779 1.00 0.00 C ATOM 829 CG PHE A 54 -8.236 -1.355 -15.511 1.00 0.00 C ATOM 830 CD1 PHE A 54 -8.750 -1.859 -14.301 1.00 0.00 C ATOM 831 CD2 PHE A 54 -6.940 -0.808 -15.546 1.00 0.00 C ATOM 832 CE1 PHE A 54 -7.963 -1.834 -13.136 1.00 0.00 C ATOM 833 CE2 PHE A 54 -6.148 -0.795 -14.385 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.659 -1.308 -13.179 1.00 0.00 C ATOM 0 H PHE A 54 -9.101 -3.698 -15.806 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.642 -2.726 -18.387 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.838 -0.564 -17.396 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.119 -1.364 -16.508 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.750 -2.265 -14.268 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.553 -0.397 -16.467 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.360 -2.219 -12.208 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.147 -0.391 -14.419 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.051 -1.298 -12.287 1.00 0.00 H new ATOM 844 N ASP A 55 -6.428 -3.097 -17.645 1.00 0.00 N ATOM 845 CA ASP A 55 -5.088 -3.171 -18.225 1.00 0.00 C ATOM 846 C ASP A 55 -5.062 -4.146 -19.416 1.00 0.00 C ATOM 847 O ASP A 55 -4.478 -3.819 -20.448 1.00 0.00 O ATOM 848 CB ASP A 55 -4.050 -3.585 -17.173 1.00 0.00 C ATOM 849 CG ASP A 55 -3.785 -2.547 -16.086 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.643 -1.347 -16.423 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.640 -2.949 -14.906 1.00 0.00 O ATOM 0 H ASP A 55 -6.471 -3.399 -16.672 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.827 -2.176 -18.585 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.383 -4.508 -16.699 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.111 -3.807 -17.679 1.00 0.00 H new ATOM 856 N SER A 56 -5.705 -5.315 -19.324 1.00 0.00 N ATOM 857 CA SER A 56 -5.768 -6.275 -20.434 1.00 0.00 C ATOM 858 C SER A 56 -6.531 -5.698 -21.638 1.00 0.00 C ATOM 859 O SER A 56 -6.068 -5.814 -22.776 1.00 0.00 O ATOM 860 CB SER A 56 -6.376 -7.597 -19.951 1.00 0.00 C ATOM 861 OG SER A 56 -6.446 -8.539 -21.010 1.00 0.00 O ATOM 0 H SER A 56 -6.194 -5.622 -18.483 1.00 0.00 H new ATOM 0 HA SER A 56 -4.753 -6.474 -20.778 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.775 -8.003 -19.137 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.374 -7.418 -19.551 1.00 0.00 H new ATOM 0 HG SER A 56 -6.835 -9.375 -20.679 1.00 0.00 H new ATOM 867 N LEU A 57 -7.659 -5.007 -21.408 1.00 0.00 N ATOM 868 CA LEU A 57 -8.440 -4.345 -22.466 1.00 0.00 C ATOM 869 C LEU A 57 -7.677 -3.185 -23.138 1.00 0.00 C ATOM 870 O LEU A 57 -7.743 -3.036 -24.361 1.00 0.00 O ATOM 871 CB LEU A 57 -9.776 -3.843 -21.885 1.00 0.00 C ATOM 872 CG LEU A 57 -10.838 -4.948 -21.744 1.00 0.00 C ATOM 873 CD1 LEU A 57 -11.968 -4.468 -20.833 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.450 -5.342 -23.093 1.00 0.00 C ATOM 0 H LEU A 57 -8.058 -4.891 -20.476 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.626 -5.085 -23.244 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.593 -3.399 -20.907 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.168 -3.053 -22.526 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.335 -5.818 -21.322 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.717 -5.254 -20.737 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.565 -4.228 -19.849 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.429 -3.579 -21.263 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.193 -6.125 -22.941 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.927 -4.472 -23.544 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.666 -5.710 -23.755 1.00 0.00 H new ATOM 886 N LYS A 58 -6.946 -2.371 -22.362 1.00 0.00 N ATOM 887 CA LYS A 58 -6.148 -1.231 -22.857 1.00 0.00 C ATOM 888 C LYS A 58 -4.787 -1.634 -23.455 1.00 0.00 C ATOM 889 O LYS A 58 -4.134 -0.801 -24.086 1.00 0.00 O ATOM 890 CB LYS A 58 -5.959 -0.202 -21.722 1.00 0.00 C ATOM 891 CG LYS A 58 -7.261 0.472 -21.241 1.00 0.00 C ATOM 892 CD LYS A 58 -8.031 1.298 -22.285 1.00 0.00 C ATOM 893 CE LYS A 58 -7.179 2.427 -22.881 1.00 0.00 C ATOM 894 NZ LYS A 58 -7.958 3.250 -23.846 1.00 0.00 N ATOM 0 H LYS A 58 -6.890 -2.486 -21.350 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.710 -0.789 -23.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.488 -0.699 -20.874 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.269 0.571 -22.062 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.926 -0.303 -20.861 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.018 1.124 -20.402 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.370 0.641 -23.086 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.922 1.724 -21.823 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.804 3.063 -22.079 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.310 2.002 -23.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.351 4.003 -24.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.294 2.647 -24.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.773 3.676 -23.360 1.00 0.00 H new ATOM 908 N GLY A 59 -4.354 -2.885 -23.272 1.00 0.00 N ATOM 909 CA GLY A 59 -3.080 -3.412 -23.788 1.00 0.00 C ATOM 910 C GLY A 59 -1.864 -3.073 -22.912 1.00 0.00 C ATOM 911 O GLY A 59 -0.789 -2.769 -23.435 1.00 0.00 O ATOM 0 H GLY A 59 -4.890 -3.578 -22.749 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.158 -4.495 -23.881 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.914 -3.017 -24.790 1.00 0.00 H new ATOM 915 N ARG A 60 -2.043 -3.093 -21.583 1.00 0.00 N ATOM 916 CA ARG A 60 -1.046 -2.737 -20.554 1.00 0.00 C ATOM 917 C ARG A 60 -0.728 -3.865 -19.555 1.00 0.00 C ATOM 918 O ARG A 60 0.309 -3.794 -18.891 1.00 0.00 O ATOM 919 CB ARG A 60 -1.556 -1.462 -19.843 1.00 0.00 C ATOM 920 CG ARG A 60 -0.507 -0.783 -18.944 1.00 0.00 C ATOM 921 CD ARG A 60 -0.923 0.638 -18.541 1.00 0.00 C ATOM 922 NE ARG A 60 -2.122 0.628 -17.686 1.00 0.00 N ATOM 923 CZ ARG A 60 -2.833 1.654 -17.267 1.00 0.00 C ATOM 924 NH1 ARG A 60 -2.553 2.889 -17.576 1.00 0.00 N ATOM 925 NH2 ARG A 60 -3.859 1.412 -16.511 1.00 0.00 N ATOM 0 H ARG A 60 -2.934 -3.372 -21.172 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.090 -2.559 -21.047 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.891 -0.748 -20.596 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.426 -1.719 -19.238 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.356 -1.384 -18.047 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.448 -0.746 -19.467 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.102 1.122 -18.012 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.118 1.229 -19.436 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.442 -0.291 -17.379 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.750 3.097 -18.169 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.137 3.648 -17.224 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.092 0.451 -16.260 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.433 2.182 -16.168 1.00 0.00 H new ATOM 939 N CYS A 61 -1.580 -4.891 -19.432 1.00 0.00 N ATOM 940 CA CYS A 61 -1.373 -5.989 -18.480 1.00 0.00 C ATOM 941 C CYS A 61 -0.219 -6.929 -18.894 1.00 0.00 C ATOM 942 O CYS A 61 -0.126 -7.364 -20.049 1.00 0.00 O ATOM 943 CB CYS A 61 -2.691 -6.756 -18.268 1.00 0.00 C ATOM 944 SG CYS A 61 -2.646 -7.697 -16.705 1.00 0.00 S ATOM 0 H CYS A 61 -2.430 -4.983 -19.988 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.068 -5.551 -17.530 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.526 -6.056 -18.253 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.860 -7.436 -19.103 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.564 -8.617 -16.726 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.670 -11.595 -11.668 1.00 0.00 N ATOM 1014 CA CYS A 66 -3.656 -10.543 -11.905 1.00 0.00 C ATOM 1015 C CYS A 66 -4.937 -10.741 -11.065 1.00 0.00 C ATOM 1016 O CYS A 66 -5.542 -11.820 -11.046 1.00 0.00 O ATOM 1017 CB CYS A 66 -3.913 -10.483 -13.419 1.00 0.00 C ATOM 1018 SG CYS A 66 -4.699 -8.915 -13.876 1.00 0.00 S ATOM 0 HA CYS A 66 -3.272 -9.578 -11.572 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.971 -10.594 -13.957 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.550 -11.315 -13.718 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.032 -8.361 -14.845 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.326 -9.688 -10.335 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.483 -9.666 -9.416 1.00 0.00 C ATOM 1025 C LYS A 67 -7.812 -9.351 -10.110 1.00 0.00 C ATOM 1026 O LYS A 67 -8.832 -9.185 -9.438 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.247 -8.662 -8.272 1.00 0.00 C ATOM 1028 CG LYS A 67 -4.828 -8.729 -7.688 1.00 0.00 C ATOM 1029 CD LYS A 67 -4.676 -7.943 -6.377 1.00 0.00 C ATOM 1030 CE LYS A 67 -4.925 -6.439 -6.569 1.00 0.00 C ATOM 1031 NZ LYS A 67 -4.714 -5.686 -5.304 1.00 0.00 N ATOM 0 H LYS A 67 -4.831 -8.796 -10.365 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.565 -10.677 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.434 -7.653 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.969 -8.851 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.563 -9.772 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.121 -8.340 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.376 -8.334 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.673 -8.095 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.256 -6.054 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.944 -6.280 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.890 -4.674 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.369 -6.038 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.735 -5.819 -4.980 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.801 -9.252 -11.434 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.948 -8.868 -12.252 1.00 0.00 C ATOM 1047 C TYR A 68 -9.236 -9.894 -13.361 1.00 0.00 C ATOM 1048 O TYR A 68 -8.367 -10.667 -13.773 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.670 -7.464 -12.800 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.428 -6.408 -11.730 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -7.117 -6.134 -11.286 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.518 -5.722 -11.156 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -6.897 -5.175 -10.278 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -9.302 -4.762 -10.147 1.00 0.00 C ATOM 1055 CZ TYR A 68 -7.987 -4.486 -9.706 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.764 -3.568 -8.726 1.00 0.00 O ATOM 0 H TYR A 68 -6.966 -9.443 -11.987 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.856 -8.852 -11.649 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.799 -7.508 -13.453 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.514 -7.154 -13.415 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.280 -6.661 -11.720 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.523 -5.933 -11.491 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.892 -4.967 -9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.140 -4.238 -9.711 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.618 -3.182 -8.439 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.488 -9.938 -13.821 1.00 0.00 N ATOM 1067 CA LEU A 69 -10.953 -10.903 -14.824 1.00 0.00 C ATOM 1068 C LEU A 69 -10.506 -10.529 -16.240 1.00 0.00 C ATOM 1069 O LEU A 69 -10.975 -9.532 -16.785 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.495 -11.002 -14.768 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.060 -12.054 -13.807 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.846 -13.473 -14.331 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.469 -11.953 -12.405 1.00 0.00 C ATOM 0 H LEU A 69 -11.217 -9.298 -13.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.505 -11.868 -14.588 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.893 -10.027 -14.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.863 -11.218 -15.771 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.128 -11.844 -13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.260 -14.189 -13.621 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.346 -13.585 -15.293 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.779 -13.659 -14.453 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.907 -12.723 -11.769 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.389 -12.094 -12.454 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.688 -10.970 -11.988 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.657 -11.348 -16.867 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.273 -11.160 -18.272 1.00 0.00 C ATOM 1087 C HIS A 70 -10.496 -11.526 -19.144 1.00 0.00 C ATOM 1088 O HIS A 70 -10.914 -12.688 -19.120 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.041 -12.003 -18.620 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.733 -11.380 -18.185 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.514 -11.537 -18.811 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.555 -10.438 -17.204 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.641 -10.685 -18.244 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.235 -9.985 -17.265 1.00 0.00 N ATOM 0 H HIS A 70 -9.219 -12.154 -16.421 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.991 -10.124 -18.460 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.139 -12.983 -18.153 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.015 -12.165 -19.698 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.310 -12.186 -19.571 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.307 -10.104 -16.504 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.607 -10.579 -18.536 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.112 -10.567 -19.862 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.351 -10.757 -20.623 1.00 0.00 C ATOM 1104 C PRO A 71 -12.412 -11.963 -21.582 1.00 0.00 C ATOM 1105 O PRO A 71 -11.734 -11.949 -22.616 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.557 -9.445 -21.381 1.00 0.00 C ATOM 1107 CG PRO A 71 -11.940 -8.422 -20.446 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.710 -9.167 -19.947 1.00 0.00 C ATOM 0 HA PRO A 71 -13.144 -11.000 -19.915 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.063 -9.456 -22.352 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.613 -9.243 -21.563 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.678 -7.499 -20.964 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.613 -8.151 -19.633 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.870 -9.040 -20.630 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.390 -8.791 -18.975 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.235 -12.995 -21.304 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.412 -14.116 -22.223 1.00 0.00 C ATOM 1118 C PRO A 72 -14.319 -13.723 -23.413 1.00 0.00 C ATOM 1119 O PRO A 72 -15.181 -12.849 -23.263 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.047 -15.226 -21.382 1.00 0.00 C ATOM 1121 CG PRO A 72 -14.862 -14.459 -20.349 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.062 -13.176 -20.115 1.00 0.00 C ATOM 0 HA PRO A 72 -12.467 -14.434 -22.663 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.676 -15.879 -21.987 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.292 -15.856 -20.912 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.865 -14.241 -20.715 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.976 -15.030 -19.428 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.726 -12.324 -19.968 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.446 -13.258 -19.220 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.177 -14.361 -24.594 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.966 -14.076 -25.800 1.00 0.00 C ATOM 1132 C PRO A 73 -16.479 -13.887 -25.596 1.00 0.00 C ATOM 1133 O PRO A 73 -17.056 -12.942 -26.137 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.672 -15.240 -26.754 1.00 0.00 C ATOM 1135 CG PRO A 73 -13.243 -15.629 -26.390 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.196 -15.401 -24.881 1.00 0.00 C ATOM 0 HA PRO A 73 -14.667 -13.102 -26.189 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.366 -16.068 -26.607 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.754 -14.937 -27.798 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.029 -16.666 -26.648 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.512 -15.013 -26.914 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.432 -16.318 -24.342 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.199 -15.093 -24.565 1.00 0.00 H new ATOM 1144 N HIS A 74 -17.132 -14.754 -24.808 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.584 -14.688 -24.540 1.00 0.00 C ATOM 1146 C HIS A 74 -19.021 -13.569 -23.571 1.00 0.00 C ATOM 1147 O HIS A 74 -20.222 -13.345 -23.410 1.00 0.00 O ATOM 1148 CB HIS A 74 -19.094 -16.083 -24.123 1.00 0.00 C ATOM 1149 CG HIS A 74 -19.201 -17.068 -25.272 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -19.899 -18.262 -25.241 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -18.703 -16.927 -26.544 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -19.827 -18.831 -26.461 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -19.097 -18.037 -27.269 1.00 0.00 N ATOM 0 H HIS A 74 -16.667 -15.528 -24.333 1.00 0.00 H new ATOM 0 HA HIS A 74 -19.064 -14.396 -25.474 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.424 -16.493 -23.367 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -20.073 -15.976 -23.657 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -20.386 -18.647 -24.432 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -18.112 -16.101 -26.911 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -20.280 -19.769 -26.744 1.00 0.00 H new ATOM 1162 N LEU A 75 -18.078 -12.836 -22.964 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.344 -11.701 -22.063 1.00 0.00 C ATOM 1164 C LEU A 75 -17.819 -10.366 -22.605 1.00 0.00 C ATOM 1165 O LEU A 75 -18.338 -9.324 -22.208 1.00 0.00 O ATOM 1166 CB LEU A 75 -17.757 -11.968 -20.674 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.334 -13.198 -19.946 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -17.647 -13.444 -18.600 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -19.832 -13.055 -19.700 1.00 0.00 C ATOM 0 H LEU A 75 -17.082 -13.019 -23.088 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.428 -11.612 -21.994 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.679 -12.095 -20.771 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.920 -11.088 -20.052 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.149 -14.046 -20.605 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.086 -14.320 -18.122 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.582 -13.613 -18.760 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.784 -12.574 -17.957 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.202 -13.941 -19.185 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.017 -12.174 -19.085 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.349 -12.947 -20.654 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.850 -10.359 -23.533 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.361 -9.123 -24.178 1.00 0.00 C ATOM 1183 C LYS A 76 -17.514 -8.321 -24.802 1.00 0.00 C ATOM 1184 O LYS A 76 -17.515 -7.095 -24.721 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.263 -9.454 -25.202 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.925 -9.731 -24.493 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.843 -10.282 -25.433 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.488 -9.299 -26.559 1.00 0.00 C ATOM 1189 NZ LYS A 76 -11.389 -9.821 -27.415 1.00 0.00 N ATOM 0 H LYS A 76 -16.382 -11.205 -23.859 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.919 -8.485 -23.413 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.556 -10.324 -25.789 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.146 -8.624 -25.899 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.565 -8.808 -24.037 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.091 -10.443 -23.684 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.946 -10.509 -24.856 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.188 -11.220 -25.869 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.370 -9.113 -27.172 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.191 -8.343 -26.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.175 -9.132 -28.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.540 -9.975 -26.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.682 -10.721 -27.846 1.00 0.00 H new ATOM 1203 N THR A 77 -18.524 -9.007 -25.346 1.00 0.00 N ATOM 1204 CA THR A 77 -19.754 -8.404 -25.889 1.00 0.00 C ATOM 1205 C THR A 77 -20.560 -7.693 -24.794 1.00 0.00 C ATOM 1206 O THR A 77 -20.961 -6.544 -24.965 1.00 0.00 O ATOM 1207 CB THR A 77 -20.636 -9.476 -26.553 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.867 -10.242 -27.458 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.794 -8.864 -27.339 1.00 0.00 C ATOM 0 H THR A 77 -18.512 -10.024 -25.425 1.00 0.00 H new ATOM 0 HA THR A 77 -19.452 -7.668 -26.634 1.00 0.00 H new ATOM 0 HB THR A 77 -21.035 -10.093 -25.748 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.435 -10.923 -27.875 1.00 0.00 H new ATOM 0 HG21 THR A 77 -22.388 -9.659 -27.790 1.00 0.00 H new ATOM 0 HG22 THR A 77 -22.421 -8.279 -26.666 1.00 0.00 H new ATOM 0 HG23 THR A 77 -21.400 -8.217 -28.123 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.760 -8.343 -23.638 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.471 -7.762 -22.489 1.00 0.00 C ATOM 1219 C GLN A 78 -20.730 -6.526 -21.954 1.00 0.00 C ATOM 1220 O GLN A 78 -21.340 -5.484 -21.701 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.625 -8.807 -21.366 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.504 -10.011 -21.753 1.00 0.00 C ATOM 1223 CD GLN A 78 -22.793 -10.939 -20.568 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -22.892 -10.532 -19.417 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -22.947 -12.225 -20.796 1.00 0.00 N ATOM 0 H GLN A 78 -20.430 -9.294 -23.473 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.461 -7.455 -22.827 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.637 -9.168 -21.080 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.054 -8.323 -20.489 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.447 -9.650 -22.164 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.009 -10.578 -22.541 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -22.869 -12.587 -21.746 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -23.144 -12.860 -20.023 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.404 -6.637 -21.817 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.531 -5.555 -21.364 1.00 0.00 C ATOM 1236 C LEU A 79 -18.570 -4.352 -22.317 1.00 0.00 C ATOM 1237 O LEU A 79 -18.790 -3.236 -21.854 1.00 0.00 O ATOM 1238 CB LEU A 79 -17.096 -6.089 -21.194 1.00 0.00 C ATOM 1239 CG LEU A 79 -16.938 -7.077 -20.024 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.587 -7.776 -20.122 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.012 -6.374 -18.667 1.00 0.00 C ATOM 0 H LEU A 79 -18.900 -7.500 -22.023 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.894 -5.199 -20.400 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.789 -6.581 -22.117 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.420 -5.247 -21.041 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.757 -7.793 -20.094 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.478 -8.475 -19.293 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.526 -8.320 -21.065 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.790 -7.034 -20.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.896 -7.108 -17.870 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.215 -5.633 -18.597 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.978 -5.879 -18.566 1.00 0.00 H new ATOM 1253 N GLU A 80 -18.398 -4.538 -23.633 1.00 0.00 N ATOM 1254 CA GLU A 80 -18.447 -3.401 -24.569 1.00 0.00 C ATOM 1255 C GLU A 80 -19.822 -2.717 -24.607 1.00 0.00 C ATOM 1256 O GLU A 80 -19.880 -1.496 -24.714 1.00 0.00 O ATOM 1257 CB GLU A 80 -17.930 -3.746 -25.976 1.00 0.00 C ATOM 1258 CG GLU A 80 -18.872 -4.568 -26.864 1.00 0.00 C ATOM 1259 CD GLU A 80 -18.374 -4.572 -28.318 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -17.746 -5.565 -28.760 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -18.620 -3.566 -29.029 1.00 0.00 O ATOM 0 H GLU A 80 -18.227 -5.444 -24.069 1.00 0.00 H new ATOM 0 HA GLU A 80 -17.748 -2.669 -24.164 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -17.698 -2.815 -26.493 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -16.994 -4.294 -25.871 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -18.933 -5.591 -26.491 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -19.879 -4.152 -26.819 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.928 -3.461 -24.468 1.00 0.00 N ATOM 1269 CA ILE A 81 -22.283 -2.881 -24.414 1.00 0.00 C ATOM 1270 C ILE A 81 -22.401 -1.926 -23.213 1.00 0.00 C ATOM 1271 O ILE A 81 -22.945 -0.827 -23.349 1.00 0.00 O ATOM 1272 CB ILE A 81 -23.351 -4.003 -24.422 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -23.428 -4.595 -25.848 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.739 -3.498 -23.984 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -24.235 -5.895 -25.950 1.00 0.00 C ATOM 0 H ILE A 81 -20.912 -4.478 -24.390 1.00 0.00 H new ATOM 0 HA ILE A 81 -22.467 -2.281 -25.305 1.00 0.00 H new ATOM 0 HB ILE A 81 -23.054 -4.765 -23.701 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -23.871 -3.853 -26.513 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -22.416 -4.781 -26.207 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -25.450 -4.323 -24.007 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.678 -3.100 -22.971 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -25.072 -2.713 -24.663 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -24.238 -6.241 -26.984 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.782 -6.655 -25.314 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -25.260 -5.714 -25.625 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.840 -2.298 -22.055 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.805 -1.425 -20.879 1.00 0.00 C ATOM 1289 C ASN A 82 -20.846 -0.236 -21.113 1.00 0.00 C ATOM 1290 O ASN A 82 -21.200 0.914 -20.853 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.430 -2.257 -19.635 1.00 0.00 C ATOM 1292 CG ASN A 82 -21.954 -1.662 -18.339 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -22.124 -0.461 -18.180 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -22.224 -2.486 -17.354 1.00 0.00 N ATOM 0 H ASN A 82 -21.401 -3.207 -21.909 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.792 -0.995 -20.705 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -21.823 -3.267 -19.749 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.345 -2.342 -19.576 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -22.572 -2.123 -16.466 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -22.086 -3.489 -17.476 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.650 -0.492 -21.659 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.637 0.521 -21.994 1.00 0.00 C ATOM 1303 C GLY A 83 -19.155 1.608 -22.945 1.00 0.00 C ATOM 1304 O GLY A 83 -18.873 2.788 -22.740 1.00 0.00 O ATOM 0 H GLY A 83 -19.350 -1.440 -21.888 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.285 0.990 -21.075 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.778 0.029 -22.450 1.00 0.00 H new