USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 746 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 97 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 TYR OH : rot 0:sc= -0.083 USER MOD Set 2.1: A 46 LYS NZ :NH3+ 153:sc= 0.174 (180deg=0) USER MOD Set 2.2: A 47 SER OG : rot 93:sc= 1.5 USER MOD Set 3.1: A 26 TYR OH : rot -178:sc= 1.24 USER MOD Set 3.2: A 39 THR OG1 : rot -159:sc= 1.1 USER MOD Single : A 12 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.014) USER MOD Single : A 19 ASN : amide:sc= 0.937 K(o=0.94,f=-1.6) USER MOD Single : A 24 ASN : amide:sc= 1.17 K(o=1.2,f=-0.002) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.45) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 1.07 K(o=1.1,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.257 K(o=-0.26,f=-3.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -54:sc= 0.255 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.723 K(o=0.72,f=-4.7!) USER MOD Single : A 77 ASN : amide:sc= 0.196 K(o=0.2,f=-0.33) USER MOD Single : A 78 HIS : no HD1:sc= -0.0039 X(o=-0.0039,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 87 LYS NZ :NH3+ -179:sc= 0.997 (180deg=0.997) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -160:sc= 0.0814 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -12:sc= 0.757 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 11 1.240 -16.793 5.295 1.00 0.00 N ATOM 174 CA VAL A 11 1.614 -15.384 5.092 1.00 0.00 C ATOM 175 C VAL A 11 0.509 -14.470 5.620 1.00 0.00 C ATOM 176 O VAL A 11 -0.674 -14.800 5.528 1.00 0.00 O ATOM 177 CB VAL A 11 1.880 -15.056 3.605 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.733 -13.788 3.511 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.630 -16.153 2.842 1.00 0.00 C ATOM 0 HA VAL A 11 2.540 -15.215 5.642 1.00 0.00 H new ATOM 0 HB VAL A 11 0.895 -14.943 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.923 -13.554 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.203 -12.958 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.681 -13.948 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.775 -15.842 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.600 -16.323 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.049 -17.075 2.866 1.00 0.00 H new ATOM 189 N ASN A 12 0.900 -13.315 6.161 1.00 0.00 N ATOM 190 CA ASN A 12 0.025 -12.332 6.797 1.00 0.00 C ATOM 191 C ASN A 12 0.453 -10.898 6.454 1.00 0.00 C ATOM 192 O ASN A 12 1.583 -10.663 6.023 1.00 0.00 O ATOM 193 CB ASN A 12 0.123 -12.485 8.324 1.00 0.00 C ATOM 194 CG ASN A 12 -0.142 -13.884 8.855 1.00 0.00 C ATOM 195 OD1 ASN A 12 0.768 -14.615 9.222 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.378 -14.310 8.934 1.00 0.00 N ATOM 0 H ASN A 12 1.879 -13.028 6.167 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.989 -12.506 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.120 -12.177 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.585 -11.798 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.574 -15.242 9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.145 -13.709 8.631 1.00 0.00 H new ATOM 203 N LEU A 13 -0.402 -9.923 6.777 1.00 0.00 N ATOM 204 CA LEU A 13 -0.061 -8.497 6.727 1.00 0.00 C ATOM 205 C LEU A 13 1.205 -8.139 7.512 1.00 0.00 C ATOM 206 O LEU A 13 2.026 -7.368 7.028 1.00 0.00 O ATOM 207 CB LEU A 13 -1.243 -7.666 7.255 1.00 0.00 C ATOM 208 CG LEU A 13 -1.992 -6.943 6.135 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.172 -6.193 6.763 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.110 -5.905 5.439 1.00 0.00 C ATOM 0 H LEU A 13 -1.358 -10.102 7.083 1.00 0.00 H new ATOM 0 HA LEU A 13 0.144 -8.264 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.934 -8.319 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.877 -6.934 7.975 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.308 -7.685 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.725 -5.667 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.832 -6.904 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.799 -5.474 7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.680 -5.414 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.781 -5.162 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.240 -6.399 5.005 1.00 0.00 H new ATOM 222 N ASP A 14 1.399 -8.728 8.692 1.00 0.00 N ATOM 223 CA ASP A 14 2.604 -8.506 9.496 1.00 0.00 C ATOM 224 C ASP A 14 3.895 -8.860 8.741 1.00 0.00 C ATOM 225 O ASP A 14 4.911 -8.189 8.912 1.00 0.00 O ATOM 226 CB ASP A 14 2.520 -9.328 10.784 1.00 0.00 C ATOM 227 CG ASP A 14 1.421 -8.813 11.727 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.690 -7.881 12.520 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.287 -9.347 11.677 1.00 0.00 O ATOM 0 H ASP A 14 0.730 -9.370 9.117 1.00 0.00 H new ATOM 0 HA ASP A 14 2.647 -7.441 9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.325 -10.371 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.481 -9.297 11.297 1.00 0.00 H new ATOM 234 N GLU A 15 3.851 -9.871 7.866 1.00 0.00 N ATOM 235 CA GLU A 15 4.968 -10.237 6.992 1.00 0.00 C ATOM 236 C GLU A 15 5.076 -9.297 5.775 1.00 0.00 C ATOM 237 O GLU A 15 6.181 -9.027 5.328 1.00 0.00 O ATOM 238 CB GLU A 15 4.817 -11.708 6.559 1.00 0.00 C ATOM 239 CG GLU A 15 6.066 -12.304 5.885 1.00 0.00 C ATOM 240 CD GLU A 15 7.310 -12.452 6.786 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.189 -12.497 8.034 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.431 -12.555 6.228 1.00 0.00 O ATOM 0 H GLU A 15 3.030 -10.463 7.745 1.00 0.00 H new ATOM 0 HA GLU A 15 5.898 -10.125 7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.570 -12.308 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.975 -11.787 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.808 -13.287 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.330 -11.677 5.033 1.00 0.00 H new ATOM 249 N ILE A 16 3.970 -8.744 5.264 1.00 0.00 N ATOM 250 CA ILE A 16 3.950 -7.836 4.087 1.00 0.00 C ATOM 251 C ILE A 16 4.858 -6.620 4.294 1.00 0.00 C ATOM 252 O ILE A 16 5.800 -6.416 3.530 1.00 0.00 O ATOM 253 CB ILE A 16 2.488 -7.483 3.670 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.794 -8.713 3.045 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.333 -6.291 2.719 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.431 -9.201 1.724 1.00 0.00 C ATOM 0 H ILE A 16 3.043 -8.911 5.656 1.00 0.00 H new ATOM 0 HA ILE A 16 4.377 -8.365 3.235 1.00 0.00 H new ATOM 0 HB ILE A 16 2.012 -7.181 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.811 -9.530 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.747 -8.471 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.277 -6.137 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.739 -5.395 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.873 -6.491 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.883 -10.067 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.390 -8.402 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.470 -9.478 1.902 1.00 0.00 H new ATOM 268 N LEU A 17 4.655 -5.864 5.370 1.00 0.00 N ATOM 269 CA LEU A 17 5.477 -4.690 5.702 1.00 0.00 C ATOM 270 C LEU A 17 6.887 -5.093 6.174 1.00 0.00 C ATOM 271 O LEU A 17 7.854 -4.380 5.905 1.00 0.00 O ATOM 272 CB LEU A 17 4.808 -3.810 6.785 1.00 0.00 C ATOM 273 CG LEU A 17 3.669 -4.457 7.599 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.392 -3.660 8.863 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.366 -4.388 6.813 1.00 0.00 C ATOM 0 H LEU A 17 3.912 -6.045 6.045 1.00 0.00 H new ATOM 0 HA LEU A 17 5.566 -4.112 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.580 -3.482 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.415 -2.916 6.301 1.00 0.00 H new ATOM 0 HG LEU A 17 3.978 -5.479 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.585 -4.134 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.291 -3.630 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.101 -2.644 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.566 -4.847 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.117 -3.346 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.481 -4.922 5.870 1.00 0.00 H new ATOM 287 N ALA A 18 7.006 -6.219 6.888 1.00 0.00 N ATOM 288 CA ALA A 18 8.280 -6.718 7.410 1.00 0.00 C ATOM 289 C ALA A 18 9.203 -7.307 6.321 1.00 0.00 C ATOM 290 O ALA A 18 10.421 -7.379 6.508 1.00 0.00 O ATOM 291 CB ALA A 18 7.979 -7.778 8.472 1.00 0.00 C ATOM 0 H ALA A 18 6.211 -6.814 7.121 1.00 0.00 H new ATOM 0 HA ALA A 18 8.821 -5.872 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.915 -8.165 8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.394 -7.332 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.414 -8.594 8.022 1.00 0.00 H new ATOM 297 N ASN A 19 8.632 -7.721 5.185 1.00 0.00 N ATOM 298 CA ASN A 19 9.291 -8.423 4.091 1.00 0.00 C ATOM 299 C ASN A 19 9.151 -7.618 2.795 1.00 0.00 C ATOM 300 O ASN A 19 8.256 -7.848 1.979 1.00 0.00 O ATOM 301 CB ASN A 19 8.731 -9.851 3.957 1.00 0.00 C ATOM 302 CG ASN A 19 9.726 -10.785 3.302 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.370 -10.448 2.320 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.908 -11.968 3.835 1.00 0.00 N ATOM 0 H ASN A 19 7.642 -7.564 4.999 1.00 0.00 H new ATOM 0 HA ASN A 19 10.356 -8.517 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.469 -10.233 4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.813 -9.828 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.589 -12.611 3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.369 -12.246 4.655 1.00 0.00 H new ATOM 311 N ASP A 20 10.045 -6.650 2.588 1.00 0.00 N ATOM 312 CA ASP A 20 10.030 -5.818 1.383 1.00 0.00 C ATOM 313 C ASP A 20 10.111 -6.635 0.078 1.00 0.00 C ATOM 314 O ASP A 20 9.654 -6.152 -0.956 1.00 0.00 O ATOM 315 CB ASP A 20 11.133 -4.755 1.434 1.00 0.00 C ATOM 316 CG ASP A 20 10.943 -3.774 2.601 1.00 0.00 C ATOM 317 OD1 ASP A 20 10.092 -2.863 2.484 1.00 0.00 O ATOM 318 OD2 ASP A 20 11.659 -3.909 3.623 1.00 0.00 O ATOM 0 H ASP A 20 10.793 -6.422 3.243 1.00 0.00 H new ATOM 0 HA ASP A 20 9.062 -5.317 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.102 -5.245 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.145 -4.201 0.495 1.00 0.00 H new ATOM 323 N ARG A 21 10.635 -7.874 0.097 1.00 0.00 N ATOM 324 CA ARG A 21 10.597 -8.796 -1.058 1.00 0.00 C ATOM 325 C ARG A 21 9.162 -9.115 -1.501 1.00 0.00 C ATOM 326 O ARG A 21 8.896 -9.183 -2.701 1.00 0.00 O ATOM 327 CB ARG A 21 11.343 -10.115 -0.775 1.00 0.00 C ATOM 328 CG ARG A 21 12.700 -9.955 -0.065 1.00 0.00 C ATOM 329 CD ARG A 21 13.443 -11.292 0.065 1.00 0.00 C ATOM 330 NE ARG A 21 13.875 -11.825 -1.245 1.00 0.00 N ATOM 331 CZ ARG A 21 14.358 -13.032 -1.486 1.00 0.00 C ATOM 332 NH1 ARG A 21 14.527 -13.914 -0.541 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.686 -13.381 -2.698 1.00 0.00 N ATOM 0 H ARG A 21 11.099 -8.267 0.916 1.00 0.00 H new ATOM 0 HA ARG A 21 11.105 -8.270 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.704 -10.753 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.503 -10.634 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.318 -9.249 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.542 -9.530 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.315 -11.160 0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.795 -12.019 0.554 1.00 0.00 H new ATOM 0 HE ARG A 21 13.792 -11.197 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.284 -13.682 0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.902 -14.836 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.571 -12.721 -3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.058 -14.314 -2.877 1.00 0.00 H new ATOM 347 N LEU A 22 8.235 -9.265 -0.546 1.00 0.00 N ATOM 348 CA LEU A 22 6.793 -9.335 -0.818 1.00 0.00 C ATOM 349 C LEU A 22 6.276 -7.961 -1.254 1.00 0.00 C ATOM 350 O LEU A 22 5.624 -7.843 -2.290 1.00 0.00 O ATOM 351 CB LEU A 22 6.003 -9.779 0.432 1.00 0.00 C ATOM 352 CG LEU A 22 6.467 -11.077 1.106 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.689 -11.315 2.396 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.227 -12.294 0.229 1.00 0.00 C ATOM 0 H LEU A 22 8.466 -9.342 0.444 1.00 0.00 H new ATOM 0 HA LEU A 22 6.645 -10.069 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.049 -8.976 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.956 -9.895 0.151 1.00 0.00 H new ATOM 0 HG LEU A 22 7.534 -10.955 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.030 -12.240 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.854 -10.482 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.626 -11.394 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.571 -13.189 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.162 -12.385 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.776 -12.183 -0.706 1.00 0.00 H new ATOM 366 N LEU A 23 6.600 -6.917 -0.481 1.00 0.00 N ATOM 367 CA LEU A 23 6.061 -5.571 -0.676 1.00 0.00 C ATOM 368 C LEU A 23 6.329 -5.049 -2.103 1.00 0.00 C ATOM 369 O LEU A 23 5.419 -4.558 -2.765 1.00 0.00 O ATOM 370 CB LEU A 23 6.616 -4.625 0.414 1.00 0.00 C ATOM 371 CG LEU A 23 5.657 -3.517 0.856 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.009 -2.790 -0.316 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.597 -4.110 1.770 1.00 0.00 C ATOM 0 H LEU A 23 7.249 -6.986 0.303 1.00 0.00 H new ATOM 0 HA LEU A 23 4.977 -5.607 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.888 -5.220 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.532 -4.166 0.043 1.00 0.00 H new ATOM 0 HG LEU A 23 6.240 -2.768 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.340 -2.016 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.782 -2.332 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.440 -3.501 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.911 -3.325 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.043 -4.880 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.076 -4.550 2.645 1.00 0.00 H new ATOM 385 N ASN A 24 7.547 -5.239 -2.623 1.00 0.00 N ATOM 386 CA ASN A 24 7.943 -4.855 -3.985 1.00 0.00 C ATOM 387 C ASN A 24 7.018 -5.423 -5.076 1.00 0.00 C ATOM 388 O ASN A 24 6.746 -4.725 -6.050 1.00 0.00 O ATOM 389 CB ASN A 24 9.409 -5.246 -4.248 1.00 0.00 C ATOM 390 CG ASN A 24 10.373 -4.158 -3.807 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.799 -3.312 -4.580 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.733 -4.127 -2.549 1.00 0.00 N ATOM 0 H ASN A 24 8.304 -5.675 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 24 7.843 -3.771 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.639 -6.171 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.547 -5.444 -5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.366 -3.399 -2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.380 -4.831 -1.900 1.00 0.00 H new ATOM 399 N LYS A 25 6.478 -6.639 -4.910 1.00 0.00 N ATOM 400 CA LYS A 25 5.490 -7.230 -5.835 1.00 0.00 C ATOM 401 C LYS A 25 4.125 -6.543 -5.706 1.00 0.00 C ATOM 402 O LYS A 25 3.490 -6.212 -6.708 1.00 0.00 O ATOM 403 CB LYS A 25 5.388 -8.741 -5.550 1.00 0.00 C ATOM 404 CG LYS A 25 4.514 -9.487 -6.574 1.00 0.00 C ATOM 405 CD LYS A 25 4.241 -10.947 -6.181 1.00 0.00 C ATOM 406 CE LYS A 25 5.526 -11.776 -6.050 1.00 0.00 C ATOM 407 NZ LYS A 25 5.229 -13.206 -5.769 1.00 0.00 N ATOM 0 H LYS A 25 6.714 -7.247 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 25 5.820 -7.078 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.388 -9.174 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.976 -8.890 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.565 -8.963 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.005 -9.464 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.701 -10.969 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.593 -11.405 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.105 -11.698 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.143 -11.368 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.120 -13.736 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.698 -13.282 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.661 -13.602 -6.545 1.00 0.00 H new ATOM 421 N TYR A 26 3.703 -6.282 -4.468 1.00 0.00 N ATOM 422 CA TYR A 26 2.433 -5.630 -4.135 1.00 0.00 C ATOM 423 C TYR A 26 2.371 -4.184 -4.662 1.00 0.00 C ATOM 424 O TYR A 26 1.309 -3.747 -5.101 1.00 0.00 O ATOM 425 CB TYR A 26 2.194 -5.690 -2.612 1.00 0.00 C ATOM 426 CG TYR A 26 1.691 -7.025 -2.071 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.364 -8.233 -2.350 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.533 -7.057 -1.270 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.861 -9.460 -1.881 1.00 0.00 C ATOM 430 CE2 TYR A 26 0.021 -8.282 -0.798 1.00 0.00 C ATOM 431 CZ TYR A 26 0.670 -9.492 -1.127 1.00 0.00 C ATOM 432 OH TYR A 26 0.154 -10.686 -0.739 1.00 0.00 O ATOM 0 H TYR A 26 4.251 -6.525 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 26 1.631 -6.174 -4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.128 -5.443 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.473 -4.917 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.275 -8.216 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.033 -6.134 -1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.387 -10.378 -2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.868 -8.295 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.685 -10.538 -0.254 1.00 0.00 H new ATOM 442 N VAL A 27 3.495 -3.454 -4.685 1.00 0.00 N ATOM 443 CA VAL A 27 3.593 -2.120 -5.319 1.00 0.00 C ATOM 444 C VAL A 27 3.707 -2.175 -6.837 1.00 0.00 C ATOM 445 O VAL A 27 3.071 -1.381 -7.522 1.00 0.00 O ATOM 446 CB VAL A 27 4.713 -1.244 -4.722 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.426 -0.990 -3.246 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.101 -1.866 -4.822 1.00 0.00 C ATOM 0 H VAL A 27 4.369 -3.769 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 27 2.642 -1.642 -5.085 1.00 0.00 H new ATOM 0 HB VAL A 27 4.717 -0.324 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.217 -0.371 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.470 -0.477 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.386 -1.941 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.835 -1.191 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.114 -2.815 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.349 -2.037 -5.870 1.00 0.00 H new ATOM 458 N GLN A 28 4.425 -3.148 -7.398 1.00 0.00 N ATOM 459 CA GLN A 28 4.552 -3.329 -8.855 1.00 0.00 C ATOM 460 C GLN A 28 3.196 -3.357 -9.579 1.00 0.00 C ATOM 461 O GLN A 28 3.081 -2.860 -10.697 1.00 0.00 O ATOM 462 CB GLN A 28 5.291 -4.644 -9.108 1.00 0.00 C ATOM 463 CG GLN A 28 6.072 -4.661 -10.427 1.00 0.00 C ATOM 464 CD GLN A 28 6.829 -5.971 -10.660 1.00 0.00 C ATOM 465 OE1 GLN A 28 6.927 -6.848 -9.810 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.400 -6.159 -11.832 1.00 0.00 N ATOM 0 H GLN A 28 4.941 -3.841 -6.855 1.00 0.00 H new ATOM 0 HA GLN A 28 5.100 -2.475 -9.253 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.980 -4.829 -8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.571 -5.462 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.381 -4.496 -11.254 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.781 -3.833 -10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.331 -5.442 -12.554 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.911 -7.022 -12.018 1.00 0.00 H new ATOM 475 N CYS A 29 2.169 -3.871 -8.892 1.00 0.00 N ATOM 476 CA CYS A 29 0.761 -3.892 -9.288 1.00 0.00 C ATOM 477 C CYS A 29 0.203 -2.561 -9.834 1.00 0.00 C ATOM 478 O CYS A 29 -0.655 -2.573 -10.718 1.00 0.00 O ATOM 479 CB CYS A 29 -0.033 -4.346 -8.055 1.00 0.00 C ATOM 480 SG CYS A 29 -1.838 -4.385 -8.186 1.00 0.00 S ATOM 0 H CYS A 29 2.312 -4.312 -7.984 1.00 0.00 H new ATOM 0 HA CYS A 29 0.663 -4.574 -10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.306 -5.347 -7.787 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.229 -3.689 -7.226 1.00 0.00 H new ATOM 485 N LEU A 30 0.704 -1.424 -9.333 1.00 0.00 N ATOM 486 CA LEU A 30 0.292 -0.078 -9.748 1.00 0.00 C ATOM 487 C LEU A 30 1.463 0.842 -10.155 1.00 0.00 C ATOM 488 O LEU A 30 1.228 1.917 -10.712 1.00 0.00 O ATOM 489 CB LEU A 30 -0.665 0.545 -8.700 1.00 0.00 C ATOM 490 CG LEU A 30 -0.231 0.703 -7.223 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.244 -0.607 -6.430 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.145 1.342 -7.061 1.00 0.00 C ATOM 0 H LEU A 30 1.424 -1.415 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.271 -0.186 -10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.934 1.537 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.576 -0.053 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.990 1.370 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.072 -0.415 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.252 -1.021 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.439 -1.319 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.386 1.423 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.894 0.725 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.140 2.336 -7.508 1.00 0.00 H new ATOM 504 N LEU A 31 2.714 0.425 -9.913 1.00 0.00 N ATOM 505 CA LEU A 31 3.929 1.158 -10.294 1.00 0.00 C ATOM 506 C LEU A 31 4.317 0.872 -11.759 1.00 0.00 C ATOM 507 O LEU A 31 4.652 1.799 -12.497 1.00 0.00 O ATOM 508 CB LEU A 31 5.035 0.872 -9.241 1.00 0.00 C ATOM 509 CG LEU A 31 6.372 0.246 -9.691 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.291 1.245 -10.387 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.136 -0.287 -8.479 1.00 0.00 C ATOM 0 H LEU A 31 2.913 -0.454 -9.435 1.00 0.00 H new ATOM 0 HA LEU A 31 3.760 2.235 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.267 1.815 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.604 0.214 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 31 6.109 -0.547 -10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.215 0.746 -10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.795 1.640 -11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.521 2.064 -9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.078 -0.727 -8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.339 0.531 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.537 -1.046 -7.976 1.00 0.00 H new ATOM 523 N GLU A 32 4.231 -0.387 -12.205 1.00 0.00 N ATOM 524 CA GLU A 32 4.520 -0.770 -13.595 1.00 0.00 C ATOM 525 C GLU A 32 3.311 -0.564 -14.531 1.00 0.00 C ATOM 526 O GLU A 32 2.172 -0.377 -14.096 1.00 0.00 O ATOM 527 CB GLU A 32 4.994 -2.237 -13.655 1.00 0.00 C ATOM 528 CG GLU A 32 6.416 -2.439 -13.108 1.00 0.00 C ATOM 529 CD GLU A 32 7.499 -1.664 -13.890 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.413 -1.566 -15.138 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.463 -1.167 -13.259 1.00 0.00 O ATOM 0 H GLU A 32 3.959 -1.171 -11.612 1.00 0.00 H new ATOM 0 HA GLU A 32 5.314 -0.113 -13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.302 -2.859 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.957 -2.581 -14.688 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.442 -2.127 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.656 -3.502 -13.129 1.00 0.00 H new ATOM 538 N ASP A 33 3.557 -0.630 -15.843 1.00 0.00 N ATOM 539 CA ASP A 33 2.543 -0.510 -16.905 1.00 0.00 C ATOM 540 C ASP A 33 1.621 -1.748 -17.057 1.00 0.00 C ATOM 541 O ASP A 33 0.732 -1.753 -17.913 1.00 0.00 O ATOM 542 CB ASP A 33 3.251 -0.198 -18.236 1.00 0.00 C ATOM 543 CG ASP A 33 3.923 1.186 -18.224 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.203 2.210 -18.313 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.173 1.256 -18.147 1.00 0.00 O ATOM 0 H ASP A 33 4.497 -0.773 -16.211 1.00 0.00 H new ATOM 0 HA ASP A 33 1.878 0.303 -16.615 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.001 -0.963 -18.435 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.527 -0.242 -19.050 1.00 0.00 H new ATOM 550 N ASP A 34 1.797 -2.791 -16.236 1.00 0.00 N ATOM 551 CA ASP A 34 1.039 -4.051 -16.278 1.00 0.00 C ATOM 552 C ASP A 34 0.626 -4.520 -14.871 1.00 0.00 C ATOM 553 O ASP A 34 1.355 -4.347 -13.890 1.00 0.00 O ATOM 554 CB ASP A 34 1.873 -5.152 -16.953 1.00 0.00 C ATOM 555 CG ASP A 34 2.160 -4.870 -18.437 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.265 -5.108 -19.285 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.297 -4.456 -18.772 1.00 0.00 O ATOM 0 H ASP A 34 2.498 -2.781 -15.495 1.00 0.00 H new ATOM 0 HA ASP A 34 0.134 -3.863 -16.855 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.818 -5.261 -16.421 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.347 -6.103 -16.866 1.00 0.00 H new ATOM 562 N GLU A 35 -0.538 -5.168 -14.784 1.00 0.00 N ATOM 563 CA GLU A 35 -1.213 -5.554 -13.533 1.00 0.00 C ATOM 564 C GLU A 35 -1.110 -7.055 -13.200 1.00 0.00 C ATOM 565 O GLU A 35 -1.681 -7.533 -12.219 1.00 0.00 O ATOM 566 CB GLU A 35 -2.670 -5.048 -13.535 1.00 0.00 C ATOM 567 CG GLU A 35 -3.609 -5.701 -14.565 1.00 0.00 C ATOM 568 CD GLU A 35 -3.450 -5.107 -15.978 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.555 -5.562 -16.732 1.00 0.00 O ATOM 570 OE2 GLU A 35 -4.221 -4.187 -16.346 1.00 0.00 O ATOM 0 H GLU A 35 -1.060 -5.451 -15.613 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.676 -5.063 -12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.089 -5.203 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.660 -3.973 -13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.412 -6.772 -14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.642 -5.578 -14.238 1.00 0.00 H new ATOM 577 N SER A 36 -0.327 -7.805 -13.977 1.00 0.00 N ATOM 578 CA SER A 36 -0.040 -9.237 -13.759 1.00 0.00 C ATOM 579 C SER A 36 0.599 -9.539 -12.392 1.00 0.00 C ATOM 580 O SER A 36 0.538 -10.670 -11.905 1.00 0.00 O ATOM 581 CB SER A 36 0.901 -9.752 -14.857 1.00 0.00 C ATOM 582 OG SER A 36 0.409 -9.442 -16.154 1.00 0.00 O ATOM 0 H SER A 36 0.142 -7.429 -14.801 1.00 0.00 H new ATOM 0 HA SER A 36 -1.005 -9.744 -13.788 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.889 -9.311 -14.727 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.018 -10.831 -14.760 1.00 0.00 H new ATOM 0 HG SER A 36 1.032 -9.782 -16.830 1.00 0.00 H new ATOM 588 N ASN A 37 1.215 -8.528 -11.768 1.00 0.00 N ATOM 589 CA ASN A 37 1.902 -8.615 -10.475 1.00 0.00 C ATOM 590 C ASN A 37 0.951 -8.539 -9.259 1.00 0.00 C ATOM 591 O ASN A 37 1.360 -8.860 -8.144 1.00 0.00 O ATOM 592 CB ASN A 37 2.951 -7.489 -10.424 1.00 0.00 C ATOM 593 CG ASN A 37 3.901 -7.537 -11.611 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.665 -8.473 -11.788 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.859 -6.554 -12.485 1.00 0.00 N ATOM 0 H ASN A 37 1.250 -7.590 -12.166 1.00 0.00 H new ATOM 0 HA ASN A 37 2.372 -9.596 -10.403 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.445 -6.524 -10.404 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.523 -7.568 -9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.463 -6.576 -13.307 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.222 -5.770 -12.341 1.00 0.00 H new ATOM 602 N CYS A 38 -0.304 -8.115 -9.448 1.00 0.00 N ATOM 603 CA CYS A 38 -1.300 -8.011 -8.377 1.00 0.00 C ATOM 604 C CYS A 38 -1.693 -9.406 -7.843 1.00 0.00 C ATOM 605 O CYS A 38 -2.300 -10.202 -8.566 1.00 0.00 O ATOM 606 CB CYS A 38 -2.534 -7.271 -8.914 1.00 0.00 C ATOM 607 SG CYS A 38 -2.253 -5.662 -9.702 1.00 0.00 S ATOM 0 H CYS A 38 -0.660 -7.831 -10.361 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.871 -7.453 -7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.030 -7.920 -9.636 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.228 -7.126 -8.086 1.00 0.00 H new ATOM 612 N THR A 39 -1.359 -9.721 -6.585 1.00 0.00 N ATOM 613 CA THR A 39 -1.725 -11.002 -5.944 1.00 0.00 C ATOM 614 C THR A 39 -3.202 -11.029 -5.517 1.00 0.00 C ATOM 615 O THR A 39 -3.869 -9.992 -5.483 1.00 0.00 O ATOM 616 CB THR A 39 -0.833 -11.306 -4.727 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.071 -10.363 -3.713 1.00 0.00 O ATOM 618 CG2 THR A 39 0.660 -11.277 -5.054 1.00 0.00 C ATOM 0 H THR A 39 -0.827 -9.098 -5.978 1.00 0.00 H new ATOM 0 HA THR A 39 -1.567 -11.774 -6.697 1.00 0.00 H new ATOM 0 HB THR A 39 -1.092 -12.315 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.307 -10.342 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.234 -11.499 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.880 -12.023 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.932 -10.288 -5.423 1.00 0.00 H new ATOM 626 N ALA A 40 -3.718 -12.210 -5.155 1.00 0.00 N ATOM 627 CA ALA A 40 -5.113 -12.425 -4.746 1.00 0.00 C ATOM 628 C ALA A 40 -5.592 -11.544 -3.567 1.00 0.00 C ATOM 629 O ALA A 40 -6.789 -11.271 -3.453 1.00 0.00 O ATOM 630 CB ALA A 40 -5.294 -13.915 -4.431 1.00 0.00 C ATOM 0 H ALA A 40 -3.163 -13.065 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.744 -12.115 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.324 -14.100 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.069 -14.505 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.619 -14.201 -3.625 1.00 0.00 H new ATOM 636 N ASP A 41 -4.673 -11.071 -2.718 1.00 0.00 N ATOM 637 CA ASP A 41 -4.946 -10.170 -1.586 1.00 0.00 C ATOM 638 C ASP A 41 -4.219 -8.815 -1.691 1.00 0.00 C ATOM 639 O ASP A 41 -4.729 -7.814 -1.185 1.00 0.00 O ATOM 640 CB ASP A 41 -4.641 -10.888 -0.262 1.00 0.00 C ATOM 641 CG ASP A 41 -3.171 -11.321 -0.140 1.00 0.00 C ATOM 642 OD1 ASP A 41 -2.340 -10.514 0.339 1.00 0.00 O ATOM 643 OD2 ASP A 41 -2.847 -12.467 -0.531 1.00 0.00 O ATOM 0 H ASP A 41 -3.685 -11.311 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.007 -9.922 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.890 -10.228 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.281 -11.766 -0.175 1.00 0.00 H new ATOM 648 N GLY A 42 -3.106 -8.729 -2.430 1.00 0.00 N ATOM 649 CA GLY A 42 -2.422 -7.470 -2.744 1.00 0.00 C ATOM 650 C GLY A 42 -3.248 -6.547 -3.636 1.00 0.00 C ATOM 651 O GLY A 42 -3.290 -5.339 -3.406 1.00 0.00 O ATOM 0 H GLY A 42 -2.648 -9.547 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.184 -6.951 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.475 -7.691 -3.237 1.00 0.00 H new ATOM 655 N LYS A 43 -3.978 -7.125 -4.598 1.00 0.00 N ATOM 656 CA LYS A 43 -4.993 -6.437 -5.411 1.00 0.00 C ATOM 657 C LYS A 43 -6.082 -5.786 -4.559 1.00 0.00 C ATOM 658 O LYS A 43 -6.479 -4.655 -4.827 1.00 0.00 O ATOM 659 CB LYS A 43 -5.628 -7.477 -6.356 1.00 0.00 C ATOM 660 CG LYS A 43 -6.667 -6.908 -7.343 1.00 0.00 C ATOM 661 CD LYS A 43 -7.816 -7.897 -7.587 1.00 0.00 C ATOM 662 CE LYS A 43 -7.336 -9.190 -8.264 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.469 -10.116 -8.532 1.00 0.00 N ATOM 0 H LYS A 43 -3.877 -8.111 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.507 -5.636 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.835 -7.961 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.106 -8.250 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.068 -5.973 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.180 -6.674 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.291 -8.141 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.575 -7.423 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.833 -8.947 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.602 -9.685 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.111 -10.979 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.933 -10.366 -7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.156 -9.651 -9.159 1.00 0.00 H new ATOM 677 N GLU A 44 -6.577 -6.485 -3.544 1.00 0.00 N ATOM 678 CA GLU A 44 -7.617 -5.958 -2.661 1.00 0.00 C ATOM 679 C GLU A 44 -7.045 -4.869 -1.732 1.00 0.00 C ATOM 680 O GLU A 44 -7.614 -3.781 -1.646 1.00 0.00 O ATOM 681 CB GLU A 44 -8.245 -7.134 -1.898 1.00 0.00 C ATOM 682 CG GLU A 44 -9.507 -6.758 -1.112 1.00 0.00 C ATOM 683 CD GLU A 44 -10.723 -6.562 -2.039 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.453 -7.549 -2.304 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.962 -5.422 -2.505 1.00 0.00 O ATOM 0 H GLU A 44 -6.272 -7.429 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.402 -5.469 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.492 -7.925 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.507 -7.543 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.727 -7.539 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.326 -5.841 -0.551 1.00 0.00 H new ATOM 692 N LEU A 45 -5.871 -5.110 -1.126 1.00 0.00 N ATOM 693 CA LEU A 45 -5.121 -4.147 -0.309 1.00 0.00 C ATOM 694 C LEU A 45 -4.877 -2.831 -1.064 1.00 0.00 C ATOM 695 O LEU A 45 -5.287 -1.772 -0.593 1.00 0.00 O ATOM 696 CB LEU A 45 -3.825 -4.831 0.193 1.00 0.00 C ATOM 697 CG LEU A 45 -2.806 -3.902 0.893 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.094 -4.592 2.069 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.719 -3.427 -0.078 1.00 0.00 C ATOM 0 H LEU A 45 -5.403 -6.014 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.706 -3.856 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.100 -5.626 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.333 -5.305 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.391 -3.059 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.389 -3.897 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.831 -4.901 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.556 -5.468 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.020 -2.776 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.183 -4.289 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.179 -2.877 -0.899 1.00 0.00 H new ATOM 711 N LYS A 46 -4.297 -2.868 -2.271 1.00 0.00 N ATOM 712 CA LYS A 46 -4.028 -1.648 -3.052 1.00 0.00 C ATOM 713 C LYS A 46 -5.297 -0.936 -3.521 1.00 0.00 C ATOM 714 O LYS A 46 -5.252 0.268 -3.748 1.00 0.00 O ATOM 715 CB LYS A 46 -3.056 -1.924 -4.216 1.00 0.00 C ATOM 716 CG LYS A 46 -3.684 -2.716 -5.370 1.00 0.00 C ATOM 717 CD LYS A 46 -4.293 -1.879 -6.508 1.00 0.00 C ATOM 718 CE LYS A 46 -5.017 -2.804 -7.498 1.00 0.00 C ATOM 719 NZ LYS A 46 -6.020 -2.068 -8.311 1.00 0.00 N ATOM 0 H LYS A 46 -4.004 -3.730 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.538 -0.953 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.684 -0.974 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.195 -2.474 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.921 -3.369 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.463 -3.359 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.991 -1.147 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.510 -1.321 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.287 -3.272 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.511 -3.606 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.150 -2.551 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.926 -2.039 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.686 -1.097 -8.479 1.00 0.00 H new ATOM 733 N SER A 47 -6.404 -1.664 -3.689 1.00 0.00 N ATOM 734 CA SER A 47 -7.693 -1.104 -4.137 1.00 0.00 C ATOM 735 C SER A 47 -8.492 -0.452 -3.006 1.00 0.00 C ATOM 736 O SER A 47 -9.300 0.437 -3.273 1.00 0.00 O ATOM 737 CB SER A 47 -8.558 -2.164 -4.824 1.00 0.00 C ATOM 738 OG SER A 47 -7.884 -2.666 -5.963 1.00 0.00 O ATOM 0 H SER A 47 -6.437 -2.669 -3.518 1.00 0.00 H new ATOM 0 HA SER A 47 -7.436 -0.324 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.774 -2.976 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.515 -1.732 -5.117 1.00 0.00 H new ATOM 0 HG SER A 47 -7.376 -3.467 -5.716 1.00 0.00 H new ATOM 744 N VAL A 48 -8.239 -0.822 -1.743 1.00 0.00 N ATOM 745 CA VAL A 48 -8.793 -0.128 -0.567 1.00 0.00 C ATOM 746 C VAL A 48 -7.880 1.000 -0.048 1.00 0.00 C ATOM 747 O VAL A 48 -8.370 1.916 0.612 1.00 0.00 O ATOM 748 CB VAL A 48 -9.168 -1.128 0.547 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.944 -1.757 1.186 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.928 -0.450 1.684 1.00 0.00 C ATOM 0 H VAL A 48 -7.642 -1.614 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.710 0.361 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.782 -1.881 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.257 -2.453 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.373 -2.293 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.322 -0.977 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.174 -1.188 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.307 0.332 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.847 -0.010 1.296 1.00 0.00 H new ATOM 760 N ILE A 49 -6.576 1.006 -0.378 1.00 0.00 N ATOM 761 CA ILE A 49 -5.674 2.113 -0.008 1.00 0.00 C ATOM 762 C ILE A 49 -6.247 3.480 -0.434 1.00 0.00 C ATOM 763 O ILE A 49 -6.305 4.370 0.414 1.00 0.00 O ATOM 764 CB ILE A 49 -4.219 1.929 -0.530 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.460 0.929 0.372 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.418 3.255 -0.576 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.051 0.544 -0.102 1.00 0.00 C ATOM 0 H ILE A 49 -6.123 0.256 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.613 2.091 1.080 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.303 1.554 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.383 1.356 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.056 0.020 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.412 3.060 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.920 3.960 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.358 3.679 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.610 -0.161 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.112 0.082 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.429 1.438 -0.159 1.00 0.00 H new ATOM 779 N PRO A 50 -6.713 3.680 -1.688 1.00 0.00 N ATOM 780 CA PRO A 50 -7.261 4.972 -2.103 1.00 0.00 C ATOM 781 C PRO A 50 -8.635 5.258 -1.469 1.00 0.00 C ATOM 782 O PRO A 50 -8.999 6.417 -1.289 1.00 0.00 O ATOM 783 CB PRO A 50 -7.348 4.906 -3.632 1.00 0.00 C ATOM 784 CG PRO A 50 -7.516 3.414 -3.916 1.00 0.00 C ATOM 785 CD PRO A 50 -6.698 2.756 -2.818 1.00 0.00 C ATOM 0 HA PRO A 50 -6.625 5.791 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.191 5.484 -4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.450 5.305 -4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.562 3.112 -3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.147 3.149 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.125 1.793 -2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.678 2.567 -3.153 1.00 0.00 H new ATOM 793 N ASP A 51 -9.391 4.230 -1.064 1.00 0.00 N ATOM 794 CA ASP A 51 -10.639 4.386 -0.295 1.00 0.00 C ATOM 795 C ASP A 51 -10.390 4.990 1.098 1.00 0.00 C ATOM 796 O ASP A 51 -11.204 5.786 1.576 1.00 0.00 O ATOM 797 CB ASP A 51 -11.373 3.038 -0.175 1.00 0.00 C ATOM 798 CG ASP A 51 -12.583 2.945 -1.114 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.409 2.988 -2.354 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.717 2.825 -0.594 1.00 0.00 O ATOM 0 H ASP A 51 -9.155 3.257 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.270 5.085 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.679 2.228 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.704 2.898 0.854 1.00 0.00 H new ATOM 805 N ALA A 52 -9.236 4.713 1.718 1.00 0.00 N ATOM 806 CA ALA A 52 -8.793 5.404 2.933 1.00 0.00 C ATOM 807 C ALA A 52 -8.502 6.910 2.722 1.00 0.00 C ATOM 808 O ALA A 52 -8.353 7.648 3.696 1.00 0.00 O ATOM 809 CB ALA A 52 -7.592 4.660 3.527 1.00 0.00 C ATOM 0 H ALA A 52 -8.583 4.002 1.390 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.618 5.384 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.259 5.170 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.882 3.638 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.780 4.642 2.800 1.00 0.00 H new ATOM 815 N LEU A 53 -8.475 7.378 1.466 1.00 0.00 N ATOM 816 CA LEU A 53 -8.238 8.771 1.058 1.00 0.00 C ATOM 817 C LEU A 53 -9.501 9.430 0.453 1.00 0.00 C ATOM 818 O LEU A 53 -9.535 10.647 0.272 1.00 0.00 O ATOM 819 CB LEU A 53 -7.075 8.831 0.040 1.00 0.00 C ATOM 820 CG LEU A 53 -5.877 7.894 0.294 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.869 7.955 -0.851 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.140 8.206 1.594 1.00 0.00 C ATOM 0 H LEU A 53 -8.626 6.764 0.666 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.976 9.332 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.477 8.607 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.704 9.855 0.009 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.306 6.895 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.037 7.283 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.354 7.652 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.495 8.974 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.308 7.513 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.760 9.227 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.825 8.101 2.435 1.00 0.00 H new ATOM 834 N SER A 54 -10.542 8.636 0.159 1.00 0.00 N ATOM 835 CA SER A 54 -11.776 9.058 -0.530 1.00 0.00 C ATOM 836 C SER A 54 -13.004 9.062 0.395 1.00 0.00 C ATOM 837 O SER A 54 -13.862 9.943 0.307 1.00 0.00 O ATOM 838 CB SER A 54 -12.037 8.104 -1.705 1.00 0.00 C ATOM 839 OG SER A 54 -12.935 8.689 -2.634 1.00 0.00 O ATOM 0 H SER A 54 -10.550 7.646 0.403 1.00 0.00 H new ATOM 0 HA SER A 54 -11.627 10.082 -0.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.097 7.864 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.449 7.166 -1.334 1.00 0.00 H new ATOM 0 HG SER A 54 -13.088 8.068 -3.376 1.00 0.00 H new ATOM 845 N ASN A 55 -13.057 8.105 1.328 1.00 0.00 N ATOM 846 CA ASN A 55 -14.128 7.915 2.317 1.00 0.00 C ATOM 847 C ASN A 55 -13.573 7.384 3.655 1.00 0.00 C ATOM 848 O ASN A 55 -14.294 6.737 4.410 1.00 0.00 O ATOM 849 CB ASN A 55 -15.250 7.022 1.724 1.00 0.00 C ATOM 850 CG ASN A 55 -14.764 5.935 0.782 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.805 6.070 -0.432 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.284 4.832 1.300 1.00 0.00 N ATOM 0 H ASN A 55 -12.319 7.407 1.420 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.575 8.882 2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.796 6.556 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.957 7.657 1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.945 4.088 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.249 4.717 2.313 1.00 0.00 H new ATOM 859 N GLU A 56 -12.288 7.622 3.952 1.00 0.00 N ATOM 860 CA GLU A 56 -11.607 7.211 5.196 1.00 0.00 C ATOM 861 C GLU A 56 -11.798 5.716 5.554 1.00 0.00 C ATOM 862 O GLU A 56 -11.839 5.340 6.727 1.00 0.00 O ATOM 863 CB GLU A 56 -11.992 8.166 6.346 1.00 0.00 C ATOM 864 CG GLU A 56 -11.635 9.629 6.047 1.00 0.00 C ATOM 865 CD GLU A 56 -11.967 10.534 7.250 1.00 0.00 C ATOM 866 OE1 GLU A 56 -11.091 10.732 8.128 1.00 0.00 O ATOM 867 OE2 GLU A 56 -13.104 11.062 7.325 1.00 0.00 O ATOM 0 H GLU A 56 -11.670 8.123 3.314 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.534 7.299 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.063 8.089 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.485 7.852 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.574 9.707 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.184 9.969 5.169 1.00 0.00 H new ATOM 874 N CYS A 57 -11.934 4.855 4.533 1.00 0.00 N ATOM 875 CA CYS A 57 -12.248 3.424 4.659 1.00 0.00 C ATOM 876 C CYS A 57 -13.571 3.146 5.417 1.00 0.00 C ATOM 877 O CYS A 57 -13.734 2.100 6.039 1.00 0.00 O ATOM 878 CB CYS A 57 -11.038 2.689 5.278 1.00 0.00 C ATOM 879 SG CYS A 57 -10.647 1.027 4.650 1.00 0.00 S ATOM 0 H CYS A 57 -11.824 5.148 3.562 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.426 3.028 3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.157 3.316 5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.207 2.611 6.352 1.00 0.00 H new ATOM 884 N ALA A 58 -14.543 4.062 5.419 1.00 0.00 N ATOM 885 CA ALA A 58 -15.764 3.919 6.216 1.00 0.00 C ATOM 886 C ALA A 58 -16.626 2.698 5.834 1.00 0.00 C ATOM 887 O ALA A 58 -17.268 2.099 6.702 1.00 0.00 O ATOM 888 CB ALA A 58 -16.561 5.227 6.104 1.00 0.00 C ATOM 0 H ALA A 58 -14.506 4.921 4.870 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.472 3.730 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.477 5.146 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.959 6.053 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.813 5.411 5.060 1.00 0.00 H new ATOM 894 N LYS A 59 -16.600 2.295 4.555 1.00 0.00 N ATOM 895 CA LYS A 59 -17.310 1.111 4.030 1.00 0.00 C ATOM 896 C LYS A 59 -16.571 -0.224 4.258 1.00 0.00 C ATOM 897 O LYS A 59 -17.111 -1.288 3.949 1.00 0.00 O ATOM 898 CB LYS A 59 -17.607 1.313 2.529 1.00 0.00 C ATOM 899 CG LYS A 59 -18.372 2.604 2.172 1.00 0.00 C ATOM 900 CD LYS A 59 -19.725 2.735 2.895 1.00 0.00 C ATOM 901 CE LYS A 59 -20.484 4.010 2.498 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.001 3.958 1.103 1.00 0.00 N ATOM 0 H LYS A 59 -16.073 2.793 3.837 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.237 1.030 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.662 1.309 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.183 0.459 2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.751 3.465 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.540 2.632 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.340 1.864 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.559 2.736 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.317 4.161 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.823 4.870 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.504 4.842 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.206 3.841 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.654 3.155 1.004 1.00 0.00 H new ATOM 916 N CYS A 60 -15.340 -0.180 4.768 1.00 0.00 N ATOM 917 CA CYS A 60 -14.454 -1.318 4.978 1.00 0.00 C ATOM 918 C CYS A 60 -14.865 -2.209 6.162 1.00 0.00 C ATOM 919 O CYS A 60 -15.605 -1.798 7.059 1.00 0.00 O ATOM 920 CB CYS A 60 -13.058 -0.749 5.247 1.00 0.00 C ATOM 921 SG CYS A 60 -12.366 0.226 3.889 1.00 0.00 S ATOM 0 H CYS A 60 -14.914 0.700 5.060 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.494 -1.951 4.092 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.100 -0.125 6.140 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.380 -1.574 5.467 1.00 0.00 H new ATOM 926 N ASN A 61 -14.278 -3.403 6.209 1.00 0.00 N ATOM 927 CA ASN A 61 -14.162 -4.208 7.430 1.00 0.00 C ATOM 928 C ASN A 61 -12.972 -3.761 8.295 1.00 0.00 C ATOM 929 O ASN A 61 -12.011 -3.163 7.805 1.00 0.00 O ATOM 930 CB ASN A 61 -14.038 -5.700 7.072 1.00 0.00 C ATOM 931 CG ASN A 61 -12.799 -6.035 6.266 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.693 -5.699 5.098 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.838 -6.715 6.842 1.00 0.00 N ATOM 0 H ASN A 61 -13.863 -3.848 5.390 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.068 -4.056 8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.031 -6.285 7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.920 -6.003 6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.002 -6.963 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.927 -6.996 7.819 1.00 0.00 H new ATOM 940 N GLU A 62 -13.014 -4.127 9.575 1.00 0.00 N ATOM 941 CA GLU A 62 -12.003 -3.830 10.598 1.00 0.00 C ATOM 942 C GLU A 62 -10.548 -4.092 10.166 1.00 0.00 C ATOM 943 O GLU A 62 -9.661 -3.280 10.443 1.00 0.00 O ATOM 944 CB GLU A 62 -12.343 -4.621 11.882 1.00 0.00 C ATOM 945 CG GLU A 62 -12.132 -6.153 11.839 1.00 0.00 C ATOM 946 CD GLU A 62 -12.908 -6.852 10.704 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.133 -7.057 10.855 1.00 0.00 O ATOM 948 OE2 GLU A 62 -12.316 -7.122 9.631 1.00 0.00 O ATOM 0 H GLU A 62 -13.794 -4.667 9.950 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.047 -2.756 10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.741 -4.219 12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.387 -4.430 12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.068 -6.362 11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.438 -6.580 12.794 1.00 0.00 H new ATOM 955 N LYS A 63 -10.296 -5.201 9.457 1.00 0.00 N ATOM 956 CA LYS A 63 -8.934 -5.637 9.110 1.00 0.00 C ATOM 957 C LYS A 63 -8.309 -4.748 8.045 1.00 0.00 C ATOM 958 O LYS A 63 -7.114 -4.475 8.098 1.00 0.00 O ATOM 959 CB LYS A 63 -8.940 -7.110 8.664 1.00 0.00 C ATOM 960 CG LYS A 63 -7.626 -7.846 8.981 1.00 0.00 C ATOM 961 CD LYS A 63 -7.426 -8.100 10.486 1.00 0.00 C ATOM 962 CE LYS A 63 -6.075 -8.779 10.734 1.00 0.00 C ATOM 963 NZ LYS A 63 -5.858 -9.061 12.177 1.00 0.00 N ATOM 0 H LYS A 63 -11.028 -5.820 9.108 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.318 -5.546 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.765 -7.627 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.125 -7.157 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.614 -8.799 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.788 -7.261 8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.472 -7.157 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.232 -8.728 10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.027 -9.710 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.273 -8.140 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.934 -9.520 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.879 -8.169 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.609 -9.691 12.524 1.00 0.00 H new ATOM 977 N GLN A 64 -9.128 -4.253 7.120 1.00 0.00 N ATOM 978 CA GLN A 64 -8.720 -3.238 6.144 1.00 0.00 C ATOM 979 C GLN A 64 -8.549 -1.863 6.803 1.00 0.00 C ATOM 980 O GLN A 64 -7.505 -1.242 6.620 1.00 0.00 O ATOM 981 CB GLN A 64 -9.737 -3.159 4.996 1.00 0.00 C ATOM 982 CG GLN A 64 -9.910 -4.462 4.200 1.00 0.00 C ATOM 983 CD GLN A 64 -8.737 -4.845 3.303 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.573 -4.557 3.544 1.00 0.00 O ATOM 985 NE2 GLN A 64 -9.002 -5.532 2.216 1.00 0.00 N ATOM 0 H GLN A 64 -10.101 -4.545 7.024 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.753 -3.536 5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.704 -2.868 5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.430 -2.369 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.088 -5.276 4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.804 -4.374 3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.965 -5.784 1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.245 -5.814 1.594 1.00 0.00 H new ATOM 994 N LYS A 65 -9.518 -1.421 7.624 1.00 0.00 N ATOM 995 CA LYS A 65 -9.454 -0.140 8.368 1.00 0.00 C ATOM 996 C LYS A 65 -8.161 0.022 9.170 1.00 0.00 C ATOM 997 O LYS A 65 -7.508 1.060 9.078 1.00 0.00 O ATOM 998 CB LYS A 65 -10.649 0.036 9.325 1.00 0.00 C ATOM 999 CG LYS A 65 -11.994 0.226 8.618 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.091 0.615 9.618 1.00 0.00 C ATOM 1001 CE LYS A 65 -14.453 0.615 8.918 1.00 0.00 C ATOM 1002 NZ LYS A 65 -15.538 1.110 9.805 1.00 0.00 N ATOM 0 H LYS A 65 -10.377 -1.944 7.795 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.486 0.631 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.712 -0.837 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.463 0.897 9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.902 0.999 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.273 -0.695 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.101 -0.086 10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.885 1.602 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.402 1.239 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.690 -0.396 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.442 1.093 9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.606 0.500 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.327 2.084 10.101 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.779 -0.994 9.944 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.500 -1.006 10.668 1.00 0.00 C ATOM 1018 C GLU A 66 -5.312 -1.287 9.737 1.00 0.00 C ATOM 1019 O GLU A 66 -4.275 -0.629 9.849 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.534 -2.055 11.793 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.481 -1.656 12.933 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.407 -2.663 14.098 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.369 -2.702 14.803 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -8.386 -3.412 14.331 1.00 0.00 O ATOM 0 H GLU A 66 -8.343 -1.831 10.089 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.363 -0.012 11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.847 -3.015 11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.528 -2.191 12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.222 -0.660 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.503 -1.604 12.559 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.461 -2.246 8.818 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.405 -2.764 7.950 1.00 0.00 C ATOM 1033 C GLY A 67 -3.843 -1.737 6.974 1.00 0.00 C ATOM 1034 O GLY A 67 -2.657 -1.425 7.037 1.00 0.00 O ATOM 0 H GLY A 67 -6.359 -2.700 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.593 -3.143 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.796 -3.610 7.385 1.00 0.00 H new ATOM 1038 N THR A 68 -4.655 -1.145 6.097 1.00 0.00 N ATOM 1039 CA THR A 68 -4.117 -0.149 5.154 1.00 0.00 C ATOM 1040 C THR A 68 -3.598 1.092 5.866 1.00 0.00 C ATOM 1041 O THR A 68 -2.595 1.641 5.424 1.00 0.00 O ATOM 1042 CB THR A 68 -5.098 0.250 4.049 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.323 0.732 4.559 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.367 -0.954 3.155 1.00 0.00 C ATOM 0 H THR A 68 -5.656 -1.325 6.015 1.00 0.00 H new ATOM 0 HA THR A 68 -3.281 -0.652 4.669 1.00 0.00 H new ATOM 0 HB THR A 68 -4.638 1.060 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.705 0.070 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.066 -0.673 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.432 -1.291 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.796 -1.760 3.750 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.200 1.492 6.997 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.726 2.603 7.843 1.00 0.00 C ATOM 1054 C LYS A 69 -2.309 2.365 8.378 1.00 0.00 C ATOM 1055 O LYS A 69 -1.452 3.233 8.212 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.760 2.866 8.954 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.460 4.087 9.846 1.00 0.00 C ATOM 1058 CD LYS A 69 -3.601 3.814 11.099 1.00 0.00 C ATOM 1059 CE LYS A 69 -4.235 2.848 12.116 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.443 3.424 12.770 1.00 0.00 N ATOM 0 H LYS A 69 -5.044 1.046 7.357 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.642 3.505 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.739 3.002 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.825 1.980 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.955 4.839 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.408 4.520 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.640 3.408 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.398 4.762 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.506 1.920 11.612 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.499 2.593 12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.833 2.736 13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.182 4.295 13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.158 3.643 12.047 1.00 0.00 H new ATOM 1074 N LYS A 70 -2.025 1.198 8.977 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.656 0.852 9.423 1.00 0.00 C ATOM 1076 C LYS A 70 0.302 0.700 8.238 1.00 0.00 C ATOM 1077 O LYS A 70 1.410 1.235 8.269 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.654 -0.367 10.379 1.00 0.00 C ATOM 1079 CG LYS A 70 -1.056 -1.711 9.741 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.114 -2.935 10.663 1.00 0.00 C ATOM 1081 CE LYS A 70 -2.142 -2.755 11.789 1.00 0.00 C ATOM 1082 NZ LYS A 70 -2.226 -3.961 12.655 1.00 0.00 N ATOM 0 H LYS A 70 -2.720 0.476 9.166 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.275 1.688 10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.344 -0.471 10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.333 -0.159 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.037 -1.587 9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.353 -1.927 8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.368 -3.819 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.129 -3.111 11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.871 -1.890 12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.121 -2.548 11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.930 -3.802 13.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.509 -4.781 12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.297 -4.144 13.086 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.108 0.009 7.175 1.00 0.00 N ATOM 1097 CA VAL A 71 0.735 -0.282 5.996 1.00 0.00 C ATOM 1098 C VAL A 71 1.146 0.985 5.257 1.00 0.00 C ATOM 1099 O VAL A 71 2.320 1.119 4.915 1.00 0.00 O ATOM 1100 CB VAL A 71 0.017 -1.282 5.072 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.751 -1.526 3.748 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.126 -2.621 5.810 1.00 0.00 C ATOM 0 H VAL A 71 -1.050 -0.375 7.099 1.00 0.00 H new ATOM 0 HA VAL A 71 1.661 -0.740 6.344 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.952 -0.848 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.189 -2.241 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.842 -0.586 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.745 -1.925 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.634 -3.339 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.862 -3.001 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.708 -2.475 6.720 1.00 0.00 H new ATOM 1112 N LEU A 72 0.236 1.955 5.122 1.00 0.00 N ATOM 1113 CA LEU A 72 0.506 3.281 4.561 1.00 0.00 C ATOM 1114 C LEU A 72 1.751 3.925 5.169 1.00 0.00 C ATOM 1115 O LEU A 72 2.586 4.414 4.412 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.780 4.132 4.619 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.665 5.640 4.880 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.849 6.348 4.230 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.744 5.930 6.378 1.00 0.00 C ATOM 0 H LEU A 72 -0.736 1.835 5.408 1.00 0.00 H new ATOM 0 HA LEU A 72 0.767 3.194 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.304 4.001 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.418 3.711 5.397 1.00 0.00 H new ATOM 0 HG LEU A 72 0.286 5.986 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.775 7.420 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.841 6.159 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.778 5.971 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.661 7.004 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.698 5.575 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.070 5.419 6.891 1.00 0.00 H new ATOM 1131 N LYS A 73 1.927 3.858 6.497 1.00 0.00 N ATOM 1132 CA LYS A 73 3.057 4.505 7.177 1.00 0.00 C ATOM 1133 C LYS A 73 4.367 3.762 6.966 1.00 0.00 C ATOM 1134 O LYS A 73 5.413 4.377 6.745 1.00 0.00 O ATOM 1135 CB LYS A 73 2.762 4.686 8.674 1.00 0.00 C ATOM 1136 CG LYS A 73 3.649 5.805 9.251 1.00 0.00 C ATOM 1137 CD LYS A 73 4.980 5.404 9.892 1.00 0.00 C ATOM 1138 CE LYS A 73 4.784 4.741 11.262 1.00 0.00 C ATOM 1139 NZ LYS A 73 6.084 4.439 11.918 1.00 0.00 N ATOM 0 H LYS A 73 1.296 3.359 7.124 1.00 0.00 H new ATOM 0 HA LYS A 73 3.178 5.489 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.710 4.932 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.947 3.753 9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.863 6.510 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.066 6.342 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.509 4.718 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.609 6.287 10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.197 5.398 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.214 3.820 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.911 3.992 12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.634 3.792 11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.617 5.321 12.055 1.00 0.00 H new ATOM 1153 N HIS A 74 4.325 2.431 7.022 1.00 0.00 N ATOM 1154 CA HIS A 74 5.520 1.618 6.822 1.00 0.00 C ATOM 1155 C HIS A 74 6.030 1.761 5.386 1.00 0.00 C ATOM 1156 O HIS A 74 7.231 1.895 5.186 1.00 0.00 O ATOM 1157 CB HIS A 74 5.254 0.134 7.133 1.00 0.00 C ATOM 1158 CG HIS A 74 4.907 -0.182 8.566 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.645 -0.108 9.114 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.719 -0.782 9.490 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.664 -0.694 10.321 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.929 -1.078 10.592 1.00 0.00 N ATOM 0 H HIS A 74 3.476 1.895 7.204 1.00 0.00 H new ATOM 0 HA HIS A 74 6.281 1.980 7.514 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.439 -0.211 6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.139 -0.440 6.858 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.831 0.321 8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.774 -0.986 9.382 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.810 -0.835 10.967 1.00 0.00 H new ATOM 1171 N LEU A 75 5.139 1.797 4.394 1.00 0.00 N ATOM 1172 CA LEU A 75 5.507 1.951 2.984 1.00 0.00 C ATOM 1173 C LEU A 75 6.262 3.271 2.731 1.00 0.00 C ATOM 1174 O LEU A 75 7.327 3.247 2.120 1.00 0.00 O ATOM 1175 CB LEU A 75 4.233 1.866 2.120 1.00 0.00 C ATOM 1176 CG LEU A 75 4.023 0.500 1.442 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.169 -0.688 2.400 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.637 0.482 0.793 1.00 0.00 C ATOM 0 H LEU A 75 4.133 1.720 4.547 1.00 0.00 H new ATOM 0 HA LEU A 75 6.187 1.145 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.368 2.086 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.276 2.638 1.352 1.00 0.00 H new ATOM 0 HG LEU A 75 4.808 0.383 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.008 -1.618 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.171 -0.688 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.432 -0.604 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.475 -0.481 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.875 0.637 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.573 1.277 0.050 1.00 0.00 H new ATOM 1190 N ILE A 76 5.779 4.407 3.256 1.00 0.00 N ATOM 1191 CA ILE A 76 6.492 5.699 3.167 1.00 0.00 C ATOM 1192 C ILE A 76 7.842 5.686 3.911 1.00 0.00 C ATOM 1193 O ILE A 76 8.798 6.313 3.454 1.00 0.00 O ATOM 1194 CB ILE A 76 5.558 6.877 3.565 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.176 8.282 3.432 1.00 0.00 C ATOM 1196 CG2 ILE A 76 4.902 6.773 4.943 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.882 8.837 4.692 1.00 0.00 C ATOM 0 H ILE A 76 4.889 4.461 3.752 1.00 0.00 H new ATOM 0 HA ILE A 76 6.762 5.862 2.124 1.00 0.00 H new ATOM 0 HB ILE A 76 4.782 6.760 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.897 8.264 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.387 8.978 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.274 7.647 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.290 5.872 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.674 6.725 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.277 9.830 4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.167 8.899 5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.700 8.173 4.973 1.00 0.00 H new ATOM 1209 N ASN A 77 7.964 4.926 5.007 1.00 0.00 N ATOM 1210 CA ASN A 77 9.219 4.767 5.760 1.00 0.00 C ATOM 1211 C ASN A 77 10.252 3.842 5.081 1.00 0.00 C ATOM 1212 O ASN A 77 11.450 4.126 5.118 1.00 0.00 O ATOM 1213 CB ASN A 77 8.891 4.243 7.173 1.00 0.00 C ATOM 1214 CG ASN A 77 8.621 5.375 8.144 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.423 5.669 9.016 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.508 6.057 8.011 1.00 0.00 N ATOM 0 H ASN A 77 7.186 4.397 5.402 1.00 0.00 H new ATOM 0 HA ASN A 77 9.688 5.750 5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.020 3.589 7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.722 3.640 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.310 6.837 8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.841 5.807 7.281 1.00 0.00 H new ATOM 1223 N HIS A 78 9.804 2.734 4.477 1.00 0.00 N ATOM 1224 CA HIS A 78 10.666 1.638 3.992 1.00 0.00 C ATOM 1225 C HIS A 78 10.845 1.592 2.470 1.00 0.00 C ATOM 1226 O HIS A 78 11.846 1.063 1.982 1.00 0.00 O ATOM 1227 CB HIS A 78 10.098 0.299 4.478 1.00 0.00 C ATOM 1228 CG HIS A 78 10.273 0.062 5.962 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.446 -0.349 6.569 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.325 0.205 6.944 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.224 -0.445 7.894 1.00 0.00 C ATOM 1232 NE2 HIS A 78 9.942 -0.108 8.146 1.00 0.00 N ATOM 0 H HIS A 78 8.812 2.567 4.306 1.00 0.00 H new ATOM 0 HA HIS A 78 11.657 1.828 4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.036 0.257 4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.582 -0.510 3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.296 0.504 6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.953 -0.743 8.633 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.501 -0.087 9.065 1.00 0.00 H new ATOM 1241 N LYS A 79 9.913 2.183 1.721 1.00 0.00 N ATOM 1242 CA LYS A 79 9.920 2.310 0.255 1.00 0.00 C ATOM 1243 C LYS A 79 9.632 3.759 -0.170 1.00 0.00 C ATOM 1244 O LYS A 79 8.727 3.984 -0.965 1.00 0.00 O ATOM 1245 CB LYS A 79 8.941 1.271 -0.345 1.00 0.00 C ATOM 1246 CG LYS A 79 9.518 -0.141 -0.521 1.00 0.00 C ATOM 1247 CD LYS A 79 10.412 -0.290 -1.765 1.00 0.00 C ATOM 1248 CE LYS A 79 11.794 0.365 -1.607 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.793 -0.180 -2.569 1.00 0.00 N ATOM 0 H LYS A 79 9.087 2.610 2.139 1.00 0.00 H new ATOM 0 HA LYS A 79 10.910 2.088 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.062 1.210 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.602 1.632 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.097 -0.401 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.697 -0.855 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.543 -1.350 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.905 0.152 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.702 1.441 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.152 0.211 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.708 0.292 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.902 -1.203 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.467 -0.011 -3.542 1.00 0.00 H new ATOM 1263 N PRO A 80 10.402 4.753 0.314 1.00 0.00 N ATOM 1264 CA PRO A 80 10.134 6.179 0.074 1.00 0.00 C ATOM 1265 C PRO A 80 10.151 6.552 -1.421 1.00 0.00 C ATOM 1266 O PRO A 80 9.301 7.309 -1.891 1.00 0.00 O ATOM 1267 CB PRO A 80 11.216 6.926 0.864 1.00 0.00 C ATOM 1268 CG PRO A 80 12.365 5.920 0.936 1.00 0.00 C ATOM 1269 CD PRO A 80 11.655 4.573 1.034 1.00 0.00 C ATOM 0 HA PRO A 80 9.129 6.448 0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.518 7.845 0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.866 7.207 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.002 5.975 0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.003 6.101 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.254 3.778 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.477 4.296 2.073 1.00 0.00 H new ATOM 1277 N ASP A 81 11.085 5.978 -2.186 1.00 0.00 N ATOM 1278 CA ASP A 81 11.207 6.186 -3.638 1.00 0.00 C ATOM 1279 C ASP A 81 10.010 5.640 -4.449 1.00 0.00 C ATOM 1280 O ASP A 81 9.569 6.274 -5.410 1.00 0.00 O ATOM 1281 CB ASP A 81 12.516 5.540 -4.113 1.00 0.00 C ATOM 1282 CG ASP A 81 12.779 5.800 -5.607 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.204 6.925 -5.959 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.582 4.871 -6.426 1.00 0.00 O ATOM 0 H ASP A 81 11.791 5.345 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 81 11.212 7.261 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.347 5.930 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.476 4.466 -3.934 1.00 0.00 H new ATOM 1289 N VAL A 82 9.458 4.482 -4.062 1.00 0.00 N ATOM 1290 CA VAL A 82 8.257 3.899 -4.698 1.00 0.00 C ATOM 1291 C VAL A 82 6.970 4.536 -4.166 1.00 0.00 C ATOM 1292 O VAL A 82 6.047 4.802 -4.933 1.00 0.00 O ATOM 1293 CB VAL A 82 8.210 2.370 -4.534 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.950 1.791 -5.187 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.435 1.709 -5.180 1.00 0.00 C ATOM 0 H VAL A 82 9.829 3.918 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 82 8.328 4.120 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 82 8.202 2.162 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.938 0.709 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.066 2.222 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.949 2.030 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.377 0.628 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.457 1.945 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.343 2.083 -4.706 1.00 0.00 H new ATOM 1305 N TRP A 83 6.922 4.857 -2.872 1.00 0.00 N ATOM 1306 CA TRP A 83 5.841 5.616 -2.242 1.00 0.00 C ATOM 1307 C TRP A 83 5.529 6.920 -2.992 1.00 0.00 C ATOM 1308 O TRP A 83 4.364 7.191 -3.274 1.00 0.00 O ATOM 1309 CB TRP A 83 6.219 5.894 -0.783 1.00 0.00 C ATOM 1310 CG TRP A 83 5.436 7.004 -0.171 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.891 8.256 0.047 1.00 0.00 C ATOM 1312 CD2 TRP A 83 4.014 7.038 0.127 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.848 9.064 0.449 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.660 8.365 0.513 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.987 6.076 0.061 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.338 8.719 0.817 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.653 6.429 0.323 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.337 7.745 0.694 1.00 0.00 C ATOM 0 H TRP A 83 7.655 4.588 -2.215 1.00 0.00 H new ATOM 0 HA TRP A 83 4.929 5.020 -2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.069 4.987 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.281 6.136 -0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.915 8.576 -0.075 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.943 10.055 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.228 5.055 -0.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.096 9.721 1.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.871 5.688 0.239 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.308 8.011 0.887 1.00 0.00 H new ATOM 1329 N ALA A 84 6.552 7.676 -3.407 1.00 0.00 N ATOM 1330 CA ALA A 84 6.408 8.879 -4.234 1.00 0.00 C ATOM 1331 C ALA A 84 5.609 8.647 -5.534 1.00 0.00 C ATOM 1332 O ALA A 84 4.967 9.583 -6.010 1.00 0.00 O ATOM 1333 CB ALA A 84 7.814 9.420 -4.524 1.00 0.00 C ATOM 0 H ALA A 84 7.522 7.464 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 84 5.819 9.611 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.739 10.317 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.311 9.664 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.393 8.664 -5.055 1.00 0.00 H new ATOM 1339 N GLN A 85 5.604 7.427 -6.081 1.00 0.00 N ATOM 1340 CA GLN A 85 4.817 7.030 -7.258 1.00 0.00 C ATOM 1341 C GLN A 85 3.348 6.739 -6.904 1.00 0.00 C ATOM 1342 O GLN A 85 2.448 7.128 -7.650 1.00 0.00 O ATOM 1343 CB GLN A 85 5.466 5.809 -7.944 1.00 0.00 C ATOM 1344 CG GLN A 85 6.991 5.979 -8.064 1.00 0.00 C ATOM 1345 CD GLN A 85 7.653 5.044 -9.074 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.144 4.769 -10.152 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.825 4.526 -8.771 1.00 0.00 N ATOM 0 H GLN A 85 6.165 6.662 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 85 4.816 7.871 -7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.242 4.907 -7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.034 5.674 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.208 7.010 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.441 5.814 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.263 4.745 -7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.294 3.906 -9.431 1.00 0.00 H new ATOM 1356 N LEU A 86 3.104 6.119 -5.739 1.00 0.00 N ATOM 1357 CA LEU A 86 1.756 5.907 -5.173 1.00 0.00 C ATOM 1358 C LEU A 86 1.062 7.257 -4.975 1.00 0.00 C ATOM 1359 O LEU A 86 0.080 7.560 -5.653 1.00 0.00 O ATOM 1360 CB LEU A 86 1.854 5.139 -3.828 1.00 0.00 C ATOM 1361 CG LEU A 86 0.573 4.563 -3.187 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.405 5.627 -2.682 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.169 3.610 -4.121 1.00 0.00 C ATOM 0 H LEU A 86 3.848 5.743 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 86 1.166 5.307 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.547 4.310 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.310 5.811 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 86 0.940 4.012 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.278 5.141 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.084 6.241 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.718 6.257 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.062 3.233 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.457 4.141 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.481 2.775 -4.380 1.00 0.00 H new ATOM 1375 N LYS A 87 1.626 8.107 -4.106 1.00 0.00 N ATOM 1376 CA LYS A 87 1.057 9.413 -3.739 1.00 0.00 C ATOM 1377 C LYS A 87 0.880 10.365 -4.920 1.00 0.00 C ATOM 1378 O LYS A 87 -0.014 11.196 -4.898 1.00 0.00 O ATOM 1379 CB LYS A 87 1.859 10.099 -2.621 1.00 0.00 C ATOM 1380 CG LYS A 87 3.380 10.077 -2.828 1.00 0.00 C ATOM 1381 CD LYS A 87 4.078 11.402 -2.520 1.00 0.00 C ATOM 1382 CE LYS A 87 3.998 12.383 -3.692 1.00 0.00 C ATOM 1383 NZ LYS A 87 5.037 12.166 -4.736 1.00 0.00 N ATOM 0 H LYS A 87 2.505 7.904 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 87 0.059 9.184 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.531 11.135 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.626 9.614 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.809 9.299 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.590 9.801 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.623 11.854 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.124 11.212 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.013 12.304 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.090 13.399 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.929 12.878 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.981 12.253 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.927 11.215 -5.142 1.00 0.00 H new ATOM 1397 N ALA A 88 1.711 10.258 -5.954 1.00 0.00 N ATOM 1398 CA ALA A 88 1.614 11.112 -7.142 1.00 0.00 C ATOM 1399 C ALA A 88 0.321 10.856 -7.933 1.00 0.00 C ATOM 1400 O ALA A 88 -0.393 11.798 -8.284 1.00 0.00 O ATOM 1401 CB ALA A 88 2.841 10.891 -8.030 1.00 0.00 C ATOM 0 H ALA A 88 2.471 9.579 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 88 1.583 12.150 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.770 11.525 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.743 11.144 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.885 9.846 -8.336 1.00 0.00 H new ATOM 1407 N LYS A 89 0.001 9.579 -8.190 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.231 9.172 -8.882 1.00 0.00 C ATOM 1409 C LYS A 89 -2.459 9.209 -7.963 1.00 0.00 C ATOM 1410 O LYS A 89 -3.551 9.558 -8.410 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.001 7.787 -9.512 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.061 7.457 -10.575 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.669 6.210 -11.382 1.00 0.00 C ATOM 1414 CE LYS A 89 -2.683 5.976 -12.509 1.00 0.00 C ATOM 1415 NZ LYS A 89 -2.281 4.841 -13.380 1.00 0.00 N ATOM 0 H LYS A 89 0.594 8.794 -7.921 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.455 9.889 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.010 7.754 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.020 7.026 -8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.025 7.293 -10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.182 8.306 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.670 6.336 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.633 5.339 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.665 5.776 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.776 6.881 -13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.989 4.712 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.355 5.043 -13.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.217 3.973 -12.811 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.278 8.877 -6.681 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.353 8.809 -5.680 1.00 0.00 C ATOM 1431 C TYR A 90 -3.696 10.178 -5.057 1.00 0.00 C ATOM 1432 O TYR A 90 -4.780 10.340 -4.494 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.990 7.778 -4.592 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.217 6.309 -4.948 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.122 5.819 -6.271 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.481 5.405 -3.902 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.297 4.449 -6.543 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.628 4.029 -4.169 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.555 3.546 -5.491 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.730 2.221 -5.757 1.00 0.00 O ATOM 0 H TYR A 90 -1.361 8.643 -6.300 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.255 8.487 -6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.939 7.909 -4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.569 8.007 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.913 6.503 -7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.571 5.768 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.234 4.089 -7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.798 3.340 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.204 1.797 -5.011 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.808 11.170 -5.167 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.970 12.515 -4.601 1.00 0.00 C ATOM 1452 C ASP A 91 -2.192 13.586 -5.410 1.00 0.00 C ATOM 1453 O ASP A 91 -1.140 14.069 -4.972 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.554 12.512 -3.120 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.990 13.811 -2.406 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.619 14.696 -3.038 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.655 13.973 -1.212 1.00 0.00 O ATOM 0 H ASP A 91 -1.927 11.057 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.023 12.787 -4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.999 11.653 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.472 12.400 -3.045 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.676 13.972 -6.608 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.958 14.861 -7.532 1.00 0.00 C ATOM 1464 C PRO A 92 -1.738 16.302 -7.023 1.00 0.00 C ATOM 1465 O PRO A 92 -1.001 17.064 -7.653 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.770 14.829 -8.833 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.184 14.513 -8.354 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.942 13.554 -7.193 1.00 0.00 C ATOM 0 HA PRO A 92 -0.937 14.502 -7.661 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.727 15.783 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.399 14.069 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.712 15.411 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.784 14.054 -9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.750 13.608 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.894 12.522 -7.539 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.330 16.682 -5.885 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.140 17.978 -5.213 1.00 0.00 C ATOM 1478 C ASP A 93 -1.460 17.856 -3.829 1.00 0.00 C ATOM 1479 O ASP A 93 -1.151 18.871 -3.197 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.500 18.688 -5.104 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.020 19.158 -6.472 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.508 20.179 -6.995 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -4.958 18.532 -7.022 1.00 0.00 O ATOM 0 H ASP A 93 -2.980 16.074 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.456 18.571 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.226 18.011 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.408 19.546 -4.438 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.199 16.633 -3.351 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.615 16.351 -2.029 1.00 0.00 C ATOM 1490 C GLY A 94 -1.500 16.739 -0.829 1.00 0.00 C ATOM 1491 O GLY A 94 -0.999 16.835 0.294 1.00 0.00 O ATOM 0 H GLY A 94 -1.393 15.787 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.392 15.286 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.334 16.881 -1.947 1.00 0.00 H new ATOM 1495 N THR A 95 -2.792 16.999 -1.054 1.00 0.00 N ATOM 1496 CA THR A 95 -3.747 17.558 -0.080 1.00 0.00 C ATOM 1497 C THR A 95 -3.957 16.686 1.166 1.00 0.00 C ATOM 1498 O THR A 95 -4.240 17.226 2.239 1.00 0.00 O ATOM 1499 CB THR A 95 -5.103 17.820 -0.767 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.916 18.573 -1.950 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.096 18.609 0.091 1.00 0.00 C ATOM 0 H THR A 95 -3.224 16.819 -1.960 1.00 0.00 H new ATOM 0 HA THR A 95 -3.306 18.490 0.273 1.00 0.00 H new ATOM 0 HB THR A 95 -5.513 16.828 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.783 18.731 -2.378 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.023 18.751 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.303 18.058 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.670 19.581 0.340 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.775 15.363 1.069 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.929 14.427 2.194 1.00 0.00 C ATOM 1511 C TYR A 96 -2.733 13.483 2.396 1.00 0.00 C ATOM 1512 O TYR A 96 -2.520 13.022 3.517 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.255 13.660 2.093 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.633 13.244 0.690 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.016 12.135 0.084 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.548 14.031 -0.035 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.333 11.805 -1.246 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.845 13.714 -1.370 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.245 12.593 -1.983 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.535 12.290 -3.277 1.00 0.00 O ATOM 0 H TYR A 96 -3.513 14.905 0.196 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.954 15.042 3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.194 12.769 2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.052 14.282 2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.303 11.541 0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.022 14.879 0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.876 10.942 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.534 14.329 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 96 -5.895 11.627 -3.609 1.00 0.00 H new ATOM 1530 N SER A 97 -1.894 13.244 1.386 1.00 0.00 N ATOM 1531 CA SER A 97 -0.667 12.444 1.537 1.00 0.00 C ATOM 1532 C SER A 97 0.366 13.080 2.479 1.00 0.00 C ATOM 1533 O SER A 97 1.058 12.372 3.216 1.00 0.00 O ATOM 1534 CB SER A 97 -0.045 12.158 0.170 1.00 0.00 C ATOM 1535 OG SER A 97 -0.842 11.217 -0.528 1.00 0.00 O ATOM 0 H SER A 97 -2.041 13.597 0.440 1.00 0.00 H new ATOM 0 HA SER A 97 -0.967 11.506 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.034 13.081 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.967 11.772 0.293 1.00 0.00 H new ATOM 0 HG SER A 97 -0.443 11.036 -1.405 1.00 0.00 H new ATOM 1541 N LYS A 98 0.443 14.421 2.528 1.00 0.00 N ATOM 1542 CA LYS A 98 1.346 15.156 3.438 1.00 0.00 C ATOM 1543 C LYS A 98 1.060 14.926 4.929 1.00 0.00 C ATOM 1544 O LYS A 98 1.983 15.045 5.734 1.00 0.00 O ATOM 1545 CB LYS A 98 1.353 16.662 3.100 1.00 0.00 C ATOM 1546 CG LYS A 98 2.534 17.074 2.203 1.00 0.00 C ATOM 1547 CD LYS A 98 2.509 16.458 0.794 1.00 0.00 C ATOM 1548 CE LYS A 98 3.774 16.787 -0.013 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.896 18.235 -0.334 1.00 0.00 N ATOM 0 H LYS A 98 -0.121 15.031 1.936 1.00 0.00 H new ATOM 0 HA LYS A 98 2.341 14.744 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.419 16.921 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.390 17.236 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.543 18.160 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.464 16.788 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.405 15.376 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.634 16.823 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.651 16.470 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.767 16.214 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.767 18.398 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.075 18.536 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.932 18.784 0.548 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.172 14.551 5.304 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.618 14.338 6.700 1.00 0.00 C ATOM 1565 C LYS A 99 0.211 13.306 7.486 1.00 0.00 C ATOM 1566 O LYS A 99 0.246 13.372 8.715 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.110 13.946 6.718 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.066 14.969 6.072 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.079 16.365 6.710 1.00 0.00 C ATOM 1570 CE LYS A 99 -3.436 16.377 8.204 1.00 0.00 C ATOM 1571 NZ LYS A 99 -4.862 16.025 8.449 1.00 0.00 N ATOM 0 H LYS A 99 -0.914 14.380 4.626 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.463 15.288 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.224 12.991 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.416 13.790 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.800 15.073 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.078 14.565 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.097 16.820 6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.793 16.990 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.794 15.673 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.233 17.366 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.054 16.047 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.477 16.711 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.052 15.071 8.081 1.00 0.00 H new ATOM 1585 N TYR A 100 0.888 12.387 6.793 1.00 0.00 N ATOM 1586 CA TYR A 100 1.744 11.342 7.370 1.00 0.00 C ATOM 1587 C TYR A 100 3.085 11.190 6.628 1.00 0.00 C ATOM 1588 O TYR A 100 4.055 10.738 7.236 1.00 0.00 O ATOM 1589 CB TYR A 100 0.973 10.013 7.445 1.00 0.00 C ATOM 1590 CG TYR A 100 0.306 9.666 6.136 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -0.950 10.226 5.837 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.979 8.885 5.182 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.505 10.073 4.558 1.00 0.00 C ATOM 1594 CE2 TYR A 100 0.422 8.727 3.904 1.00 0.00 C ATOM 1595 CZ TYR A 100 -0.816 9.327 3.579 1.00 0.00 C ATOM 1596 OH TYR A 100 -1.386 9.111 2.364 1.00 0.00 O ATOM 0 H TYR A 100 0.855 12.347 5.774 1.00 0.00 H new ATOM 0 HA TYR A 100 2.005 11.650 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.658 9.213 7.725 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.219 10.076 8.230 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.488 10.775 6.595 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.917 8.410 5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.457 10.525 4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.944 8.142 3.162 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.268 9.537 2.336 1.00 0.00 H new ATOM 1606 N GLU A 101 3.205 11.631 5.367 1.00 0.00 N ATOM 1607 CA GLU A 101 4.510 11.760 4.697 1.00 0.00 C ATOM 1608 C GLU A 101 5.455 12.731 5.426 1.00 0.00 C ATOM 1609 O GLU A 101 6.642 12.436 5.566 1.00 0.00 O ATOM 1610 CB GLU A 101 4.318 12.193 3.236 1.00 0.00 C ATOM 1611 CG GLU A 101 5.651 12.447 2.520 1.00 0.00 C ATOM 1612 CD GLU A 101 5.418 12.727 1.032 1.00 0.00 C ATOM 1613 OE1 GLU A 101 5.126 13.889 0.663 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.527 11.768 0.239 1.00 0.00 O ATOM 0 H GLU A 101 2.412 11.906 4.788 1.00 0.00 H new ATOM 0 HA GLU A 101 4.982 10.778 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.763 11.422 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.714 13.100 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.161 13.293 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.303 11.581 2.635 1.00 0.00 H new ATOM 1621 N ASP A 102 4.936 13.857 5.936 1.00 0.00 N ATOM 1622 CA ASP A 102 5.711 14.888 6.649 1.00 0.00 C ATOM 1623 C ASP A 102 6.487 14.345 7.868 1.00 0.00 C ATOM 1624 O ASP A 102 7.499 14.924 8.270 1.00 0.00 O ATOM 1625 CB ASP A 102 4.765 16.028 7.051 1.00 0.00 C ATOM 1626 CG ASP A 102 5.497 17.205 7.719 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.235 17.936 7.014 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.307 17.426 8.939 1.00 0.00 O ATOM 0 H ASP A 102 3.944 14.083 5.864 1.00 0.00 H new ATOM 0 HA ASP A 102 6.478 15.258 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.241 16.388 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.009 15.642 7.734 1.00 0.00 H new ATOM 1633 N ARG A 103 6.040 13.211 8.431 1.00 0.00 N ATOM 1634 CA ARG A 103 6.727 12.476 9.505 1.00 0.00 C ATOM 1635 C ARG A 103 8.161 12.071 9.134 1.00 0.00 C ATOM 1636 O ARG A 103 9.026 12.071 10.009 1.00 0.00 O ATOM 1637 CB ARG A 103 5.889 11.240 9.886 1.00 0.00 C ATOM 1638 CG ARG A 103 6.166 10.694 11.296 1.00 0.00 C ATOM 1639 CD ARG A 103 5.634 11.632 12.391 1.00 0.00 C ATOM 1640 NE ARG A 103 5.864 11.081 13.741 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.523 11.648 14.887 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.910 12.797 14.939 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.795 11.062 16.018 1.00 0.00 N ATOM 0 H ARG A 103 5.167 12.768 8.144 1.00 0.00 H new ATOM 0 HA ARG A 103 6.818 13.145 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.832 11.495 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.079 10.450 9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.703 9.713 11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.239 10.556 11.427 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.121 12.603 12.306 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.567 11.797 12.242 1.00 0.00 H new ATOM 0 HE ARG A 103 6.331 10.176 13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.677 13.290 14.077 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.663 13.203 15.842 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.273 10.161 16.024 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.530 11.504 16.898 1.00 0.00 H new ATOM 1657 N GLU A 104 8.429 11.790 7.852 1.00 0.00 N ATOM 1658 CA GLU A 104 9.766 11.412 7.360 1.00 0.00 C ATOM 1659 C GLU A 104 10.294 12.331 6.243 1.00 0.00 C ATOM 1660 O GLU A 104 11.438 12.782 6.321 1.00 0.00 O ATOM 1661 CB GLU A 104 9.785 9.966 6.840 1.00 0.00 C ATOM 1662 CG GLU A 104 9.173 8.906 7.761 1.00 0.00 C ATOM 1663 CD GLU A 104 9.747 8.897 9.194 1.00 0.00 C ATOM 1664 OE1 GLU A 104 10.984 9.031 9.373 1.00 0.00 O ATOM 1665 OE2 GLU A 104 8.952 8.738 10.152 1.00 0.00 O ATOM 0 H GLU A 104 7.720 11.818 7.119 1.00 0.00 H new ATOM 0 HA GLU A 104 10.420 11.516 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.256 9.938 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.820 9.688 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.096 9.067 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.326 7.923 7.315 1.00 0.00 H new