USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 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 57 ASN : amide:sc= -3.79! C(o=-4.7!,f=-9.4!) USER MOD Set 1.2: A 60 ASN : amide:sc= -0.882 K(o=-4.7,f=-7.6!) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.0885 K(o=-0.7,f=-2.3) USER MOD Set 2.2: A 29 SER OG : rot -161:sc= -0.61 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 30 SER OG : rot 170:sc= 0.0143 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -23:sc= -0.694 USER MOD Single : A 38 SER OG : rot 180:sc= -0.643 USER MOD Single : A 41 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.43 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 55 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.054) USER MOD Single : A 65 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.83) USER MOD Single : A 69 TYR OH : rot -37:sc= 0.828 USER MOD Single : A 70 HIS : no HE2:sc= -3.4! C(o=-3.4!,f=-4.4!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 91:sc= 0.508 USER MOD Single : A 84 THR OG1 : rot -22:sc= 0.644 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.8!) USER MOD Single : A 95 SER OG : rot 45:sc= 0.0505 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.044 -7.489 9.844 1.00 0.00 N ATOM 174 CA VAL A 14 -15.344 -6.215 9.203 1.00 0.00 C ATOM 175 C VAL A 14 -16.365 -6.390 8.084 1.00 0.00 C ATOM 176 O VAL A 14 -16.275 -7.324 7.287 1.00 0.00 O ATOM 177 CB VAL A 14 -14.073 -5.564 8.625 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.428 -4.328 7.813 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.099 -5.217 9.741 1.00 0.00 C ATOM 0 HA VAL A 14 -15.759 -5.564 9.972 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.589 -6.279 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.518 -3.882 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.086 -4.609 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.935 -3.606 8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.207 -4.758 9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.571 -4.519 10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.820 -6.125 10.276 1.00 0.00 H new ATOM 189 N HIS A 15 -17.337 -5.484 8.030 1.00 0.00 N ATOM 190 CA HIS A 15 -18.376 -5.537 7.008 1.00 0.00 C ATOM 191 C HIS A 15 -18.422 -4.236 6.213 1.00 0.00 C ATOM 192 O HIS A 15 -18.793 -3.187 6.741 1.00 0.00 O ATOM 193 CB HIS A 15 -19.738 -5.806 7.648 1.00 0.00 C ATOM 194 CG HIS A 15 -19.992 -7.256 7.927 1.00 0.00 C ATOM 195 ND1 HIS A 15 -20.154 -8.196 6.932 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.111 -7.925 9.098 1.00 0.00 C ATOM 197 CE1 HIS A 15 -20.363 -9.381 7.478 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.342 -9.243 8.792 1.00 0.00 N ATOM 0 H HIS A 15 -17.426 -4.705 8.682 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.138 -6.352 6.325 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.809 -5.247 8.581 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.521 -5.428 6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.038 -7.501 10.088 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.524 -10.305 6.942 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.476 -9.994 9.469 1.00 0.00 H new ATOM 206 N ILE A 16 -18.043 -4.311 4.941 1.00 0.00 N ATOM 207 CA ILE A 16 -18.043 -3.139 4.074 1.00 0.00 C ATOM 208 C ILE A 16 -19.451 -2.577 3.910 1.00 0.00 C ATOM 209 O ILE A 16 -20.224 -3.047 3.076 1.00 0.00 O ATOM 210 CB ILE A 16 -17.468 -3.468 2.684 1.00 0.00 C ATOM 211 CG1 ILE A 16 -16.045 -4.015 2.813 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.488 -2.232 1.797 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.056 -3.005 3.352 1.00 0.00 C ATOM 0 H ILE A 16 -17.732 -5.171 4.488 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.410 -2.392 4.552 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.091 -4.234 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.057 -4.885 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.706 -4.357 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.079 -2.480 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.514 -1.882 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.886 -1.447 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.068 -3.462 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.015 -2.144 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.371 -2.680 4.344 1.00 0.00 H new ATOM 225 N ILE A 17 -19.775 -1.566 4.709 1.00 0.00 N ATOM 226 CA ILE A 17 -21.088 -0.937 4.650 1.00 0.00 C ATOM 227 C ILE A 17 -21.258 -0.140 3.360 1.00 0.00 C ATOM 228 O ILE A 17 -22.110 -0.458 2.531 1.00 0.00 O ATOM 229 CB ILE A 17 -21.320 -0.002 5.852 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.928 -0.704 7.154 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.772 0.447 5.902 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.146 0.145 8.387 1.00 0.00 C ATOM 0 H ILE A 17 -19.146 -1.165 5.405 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.824 -1.740 4.678 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.692 0.881 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.505 -1.624 7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.878 -0.991 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.920 1.107 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.020 0.981 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.419 -0.425 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.847 -0.416 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.548 1.053 8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.200 0.410 8.464 1.00 0.00 H new ATOM 244 N GLU A 18 -20.441 0.896 3.199 1.00 0.00 N ATOM 245 CA GLU A 18 -20.501 1.738 2.010 1.00 0.00 C ATOM 246 C GLU A 18 -19.143 1.799 1.318 1.00 0.00 C ATOM 247 O GLU A 18 -18.370 2.735 1.525 1.00 0.00 O ATOM 248 CB GLU A 18 -20.962 3.149 2.379 1.00 0.00 C ATOM 249 CG GLU A 18 -22.262 3.178 3.166 1.00 0.00 C ATOM 250 CD GLU A 18 -22.610 4.567 3.667 1.00 0.00 C ATOM 251 OE1 GLU A 18 -21.739 5.209 4.290 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.754 5.011 3.434 1.00 0.00 O ATOM 0 H GLU A 18 -19.730 1.172 3.876 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.221 1.298 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.182 3.636 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.086 3.732 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.072 2.809 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.184 2.499 4.015 1.00 0.00 H new ATOM 259 N ASP A 19 -18.858 0.796 0.495 1.00 0.00 N ATOM 260 CA ASP A 19 -17.593 0.735 -0.228 1.00 0.00 C ATOM 261 C ASP A 19 -17.377 2.001 -1.052 1.00 0.00 C ATOM 262 O ASP A 19 -18.333 2.681 -1.427 1.00 0.00 O ATOM 263 CB ASP A 19 -17.561 -0.493 -1.140 1.00 0.00 C ATOM 264 CG ASP A 19 -16.148 -0.926 -1.477 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.523 -0.286 -2.349 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.667 -1.905 -0.870 1.00 0.00 O ATOM 0 H ASP A 19 -19.486 0.014 0.312 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.788 0.656 0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.084 -1.317 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.100 -0.272 -2.061 1.00 0.00 H new ATOM 271 N LEU A 20 -16.116 2.312 -1.329 1.00 0.00 N ATOM 272 CA LEU A 20 -15.773 3.497 -2.107 1.00 0.00 C ATOM 273 C LEU A 20 -16.531 3.517 -3.431 1.00 0.00 C ATOM 274 O LEU A 20 -17.202 2.549 -3.787 1.00 0.00 O ATOM 275 CB LEU A 20 -14.267 3.542 -2.368 1.00 0.00 C ATOM 276 CG LEU A 20 -13.368 3.362 -1.144 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.167 2.494 -1.486 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.916 4.714 -0.611 1.00 0.00 C ATOM 0 H LEU A 20 -15.314 1.760 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.062 4.376 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.021 2.765 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.027 4.499 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.943 2.860 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.539 2.377 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.509 1.514 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.591 2.967 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.277 4.567 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.359 5.242 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.788 5.303 -0.326 1.00 0.00 H new ATOM 290 N GLU A 21 -16.416 4.625 -4.157 1.00 0.00 N ATOM 291 CA GLU A 21 -17.089 4.769 -5.442 1.00 0.00 C ATOM 292 C GLU A 21 -16.076 4.951 -6.569 1.00 0.00 C ATOM 293 O GLU A 21 -15.808 4.024 -7.334 1.00 0.00 O ATOM 294 CB GLU A 21 -18.051 5.958 -5.409 1.00 0.00 C ATOM 295 CG GLU A 21 -19.211 5.775 -4.444 1.00 0.00 C ATOM 296 CD GLU A 21 -20.459 6.513 -4.886 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.572 7.720 -4.586 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.324 5.885 -5.532 1.00 0.00 O ATOM 0 H GLU A 21 -15.863 5.435 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.656 3.858 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.497 6.855 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.446 6.123 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.436 4.713 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.916 6.128 -3.456 1.00 0.00 H new ATOM 305 N ASP A 22 -15.518 6.153 -6.665 1.00 0.00 N ATOM 306 CA ASP A 22 -14.535 6.458 -7.698 1.00 0.00 C ATOM 307 C ASP A 22 -14.063 7.905 -7.588 1.00 0.00 C ATOM 308 O ASP A 22 -14.696 8.727 -6.926 1.00 0.00 O ATOM 309 CB ASP A 22 -15.125 6.205 -9.086 1.00 0.00 C ATOM 310 CG ASP A 22 -16.528 6.763 -9.228 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.487 6.063 -8.841 1.00 0.00 O ATOM 312 OD2 ASP A 22 -16.667 7.900 -9.728 1.00 0.00 O ATOM 0 H ASP A 22 -15.729 6.931 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.677 5.802 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.480 6.656 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.142 5.133 -9.281 1.00 0.00 H new ATOM 317 N VAL A 23 -12.946 8.209 -8.242 1.00 0.00 N ATOM 318 CA VAL A 23 -12.389 9.556 -8.218 1.00 0.00 C ATOM 319 C VAL A 23 -11.637 9.863 -9.508 1.00 0.00 C ATOM 320 O VAL A 23 -10.997 8.986 -10.089 1.00 0.00 O ATOM 321 CB VAL A 23 -11.436 9.749 -7.023 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.845 11.150 -7.031 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.162 9.475 -5.714 1.00 0.00 C ATOM 0 H VAL A 23 -12.409 7.540 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.229 10.243 -8.118 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.617 9.035 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.175 11.267 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.288 11.305 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.648 11.884 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.474 9.616 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.001 10.163 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.531 8.449 -5.710 1.00 0.00 H new ATOM 333 N ASP A 24 -11.718 11.113 -9.950 1.00 0.00 N ATOM 334 CA ASP A 24 -11.043 11.537 -11.171 1.00 0.00 C ATOM 335 C ASP A 24 -10.700 13.022 -11.115 1.00 0.00 C ATOM 336 O ASP A 24 -11.576 13.878 -11.240 1.00 0.00 O ATOM 337 CB ASP A 24 -11.921 11.250 -12.390 1.00 0.00 C ATOM 338 CG ASP A 24 -13.324 11.802 -12.237 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.118 11.204 -11.481 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.628 12.834 -12.871 1.00 0.00 O ATOM 0 H ASP A 24 -12.244 11.850 -9.481 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.115 10.971 -11.259 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.458 11.683 -13.277 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.973 10.173 -12.551 1.00 0.00 H new ATOM 345 N VAL A 25 -9.419 13.322 -10.926 1.00 0.00 N ATOM 346 CA VAL A 25 -8.959 14.704 -10.853 1.00 0.00 C ATOM 347 C VAL A 25 -7.532 14.837 -11.373 1.00 0.00 C ATOM 348 O VAL A 25 -6.798 13.852 -11.457 1.00 0.00 O ATOM 349 CB VAL A 25 -9.020 15.240 -9.410 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.418 15.072 -8.836 1.00 0.00 C ATOM 351 CG2 VAL A 25 -7.989 14.540 -8.538 1.00 0.00 C ATOM 0 H VAL A 25 -8.681 12.626 -10.821 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.627 15.294 -11.481 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.786 16.304 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.441 15.456 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.131 15.624 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.685 14.015 -8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.046 14.931 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.189 13.469 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.992 14.718 -8.940 1.00 0.00 H new ATOM 361 N GLN A 26 -7.146 16.060 -11.720 1.00 0.00 N ATOM 362 CA GLN A 26 -5.806 16.321 -12.232 1.00 0.00 C ATOM 363 C GLN A 26 -4.749 15.986 -11.186 1.00 0.00 C ATOM 364 O GLN A 26 -4.897 16.319 -10.011 1.00 0.00 O ATOM 365 CB GLN A 26 -5.676 17.786 -12.655 1.00 0.00 C ATOM 366 CG GLN A 26 -5.710 18.761 -11.489 1.00 0.00 C ATOM 367 CD GLN A 26 -6.670 19.912 -11.719 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.443 20.277 -10.833 1.00 0.00 O ATOM 369 NE2 GLN A 26 -6.625 20.490 -12.914 1.00 0.00 N ATOM 0 H GLN A 26 -7.742 16.886 -11.656 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.645 15.683 -13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.741 17.917 -13.200 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.484 18.029 -13.345 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.998 18.228 -10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.708 19.156 -11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.968 20.154 -13.618 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.247 21.269 -13.127 1.00 0.00 H new ATOM 378 N GLU A 27 -3.682 15.323 -11.622 1.00 0.00 N ATOM 379 CA GLU A 27 -2.600 14.941 -10.722 1.00 0.00 C ATOM 380 C GLU A 27 -2.100 16.147 -9.931 1.00 0.00 C ATOM 381 O GLU A 27 -2.107 17.273 -10.424 1.00 0.00 O ATOM 382 CB GLU A 27 -1.445 14.321 -11.511 1.00 0.00 C ATOM 383 CG GLU A 27 -0.484 15.345 -12.091 1.00 0.00 C ATOM 384 CD GLU A 27 0.767 15.512 -11.250 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.709 14.711 -11.421 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.803 16.446 -10.421 1.00 0.00 O ATOM 0 H GLU A 27 -3.544 15.040 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.989 14.203 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.892 13.645 -10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.853 13.718 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.202 15.043 -13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.991 16.306 -12.176 1.00 0.00 H new ATOM 393 N GLY A 28 -1.665 15.899 -8.699 1.00 0.00 N ATOM 394 CA GLY A 28 -1.168 16.973 -7.858 1.00 0.00 C ATOM 395 C GLY A 28 -2.243 17.551 -6.960 1.00 0.00 C ATOM 396 O GLY A 28 -1.944 18.263 -6.001 1.00 0.00 O ATOM 0 H GLY A 28 -1.648 14.974 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.348 16.600 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.761 17.764 -8.487 1.00 0.00 H new ATOM 400 N SER A 29 -3.499 17.246 -7.270 1.00 0.00 N ATOM 401 CA SER A 29 -4.623 17.744 -6.487 1.00 0.00 C ATOM 402 C SER A 29 -4.896 16.838 -5.290 1.00 0.00 C ATOM 403 O SER A 29 -4.154 15.890 -5.033 1.00 0.00 O ATOM 404 CB SER A 29 -5.875 17.846 -7.360 1.00 0.00 C ATOM 405 OG SER A 29 -5.711 18.822 -8.374 1.00 0.00 O ATOM 0 H SER A 29 -3.764 16.656 -8.059 1.00 0.00 H new ATOM 0 HA SER A 29 -4.365 18.736 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.086 16.878 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.735 18.102 -6.740 1.00 0.00 H new ATOM 0 HG SER A 29 -6.589 19.087 -8.718 1.00 0.00 H new ATOM 411 N SER A 30 -5.967 17.137 -4.562 1.00 0.00 N ATOM 412 CA SER A 30 -6.337 16.352 -3.390 1.00 0.00 C ATOM 413 C SER A 30 -7.566 15.495 -3.676 1.00 0.00 C ATOM 414 O SER A 30 -8.687 15.999 -3.743 1.00 0.00 O ATOM 415 CB SER A 30 -6.610 17.273 -2.199 1.00 0.00 C ATOM 416 OG SER A 30 -7.050 18.549 -2.631 1.00 0.00 O ATOM 0 H SER A 30 -6.593 17.917 -4.763 1.00 0.00 H new ATOM 0 HA SER A 30 -5.504 15.692 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.365 16.824 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.704 17.380 -1.603 1.00 0.00 H new ATOM 0 HG SER A 30 -7.370 19.063 -1.860 1.00 0.00 H new ATOM 422 N ALA A 31 -7.347 14.195 -3.844 1.00 0.00 N ATOM 423 CA ALA A 31 -8.435 13.266 -4.121 1.00 0.00 C ATOM 424 C ALA A 31 -9.011 12.693 -2.830 1.00 0.00 C ATOM 425 O ALA A 31 -8.281 12.149 -2.001 1.00 0.00 O ATOM 426 CB ALA A 31 -7.954 12.144 -5.030 1.00 0.00 C ATOM 0 H ALA A 31 -6.425 13.761 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.227 13.816 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.777 11.458 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.598 12.565 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.141 11.605 -4.543 1.00 0.00 H new ATOM 432 N THR A 32 -10.324 12.820 -2.665 1.00 0.00 N ATOM 433 CA THR A 32 -10.996 12.317 -1.474 1.00 0.00 C ATOM 434 C THR A 32 -11.623 10.951 -1.732 1.00 0.00 C ATOM 435 O THR A 32 -12.209 10.715 -2.789 1.00 0.00 O ATOM 436 CB THR A 32 -12.091 13.288 -0.995 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.514 14.561 -0.681 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.807 12.736 0.228 1.00 0.00 C ATOM 0 H THR A 32 -10.943 13.267 -3.341 1.00 0.00 H new ATOM 0 HA THR A 32 -10.236 12.225 -0.698 1.00 0.00 H new ATOM 0 HB THR A 32 -12.817 13.406 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.217 15.173 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.576 13.439 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.270 11.781 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.089 12.591 1.035 1.00 0.00 H new ATOM 446 N PHE A 33 -11.495 10.054 -0.760 1.00 0.00 N ATOM 447 CA PHE A 33 -12.049 8.710 -0.883 1.00 0.00 C ATOM 448 C PHE A 33 -12.841 8.333 0.366 1.00 0.00 C ATOM 449 O PHE A 33 -12.278 7.851 1.349 1.00 0.00 O ATOM 450 CB PHE A 33 -10.929 7.694 -1.117 1.00 0.00 C ATOM 451 CG PHE A 33 -10.494 7.601 -2.552 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.202 6.825 -3.455 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.378 8.290 -2.997 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.804 6.737 -4.775 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.975 8.207 -4.317 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.690 7.430 -5.207 1.00 0.00 C ATOM 0 H PHE A 33 -11.013 10.233 0.121 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.725 8.698 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.070 7.964 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.264 6.712 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.075 6.283 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.816 8.899 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.363 6.127 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.103 8.749 -4.651 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.379 7.364 -6.239 1.00 0.00 H new ATOM 466 N ARG A 34 -14.150 8.555 0.318 1.00 0.00 N ATOM 467 CA ARG A 34 -15.020 8.240 1.445 1.00 0.00 C ATOM 468 C ARG A 34 -15.493 6.791 1.378 1.00 0.00 C ATOM 469 O ARG A 34 -15.754 6.262 0.297 1.00 0.00 O ATOM 470 CB ARG A 34 -16.226 9.182 1.465 1.00 0.00 C ATOM 471 CG ARG A 34 -16.071 10.350 2.424 1.00 0.00 C ATOM 472 CD ARG A 34 -17.255 11.300 2.341 1.00 0.00 C ATOM 473 NE ARG A 34 -17.449 11.816 0.989 1.00 0.00 N ATOM 474 CZ ARG A 34 -18.427 12.651 0.654 1.00 0.00 C ATOM 475 NH1 ARG A 34 -19.294 13.062 1.568 1.00 0.00 N ATOM 476 NH2 ARG A 34 -18.537 13.076 -0.598 1.00 0.00 N ATOM 0 H ARG A 34 -14.632 8.952 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.448 8.375 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.391 9.568 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.115 8.614 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.975 9.975 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.153 10.891 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.158 10.783 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.101 12.132 3.028 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.798 11.519 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.212 12.737 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.044 13.703 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.871 12.762 -1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.288 13.717 -0.855 1.00 0.00 H new ATOM 490 N CYS A 35 -15.602 6.156 2.540 1.00 0.00 N ATOM 491 CA CYS A 35 -16.042 4.767 2.613 1.00 0.00 C ATOM 492 C CYS A 35 -16.367 4.375 4.051 1.00 0.00 C ATOM 493 O CYS A 35 -15.563 4.584 4.959 1.00 0.00 O ATOM 494 CB CYS A 35 -14.966 3.838 2.050 1.00 0.00 C ATOM 495 SG CYS A 35 -13.324 4.093 2.762 1.00 0.00 S ATOM 0 H CYS A 35 -15.392 6.580 3.443 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.947 4.667 2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.268 2.805 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.908 3.979 0.971 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.242 5.298 3.244 1.00 0.00 H new ATOM 501 N ARG A 36 -17.553 3.808 4.250 1.00 0.00 N ATOM 502 CA ARG A 36 -17.986 3.390 5.578 1.00 0.00 C ATOM 503 C ARG A 36 -17.751 1.896 5.781 1.00 0.00 C ATOM 504 O ARG A 36 -18.179 1.075 4.970 1.00 0.00 O ATOM 505 CB ARG A 36 -19.466 3.717 5.782 1.00 0.00 C ATOM 506 CG ARG A 36 -20.003 3.293 7.139 1.00 0.00 C ATOM 507 CD ARG A 36 -21.242 4.086 7.521 1.00 0.00 C ATOM 508 NE ARG A 36 -22.351 3.846 6.601 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.602 4.220 6.844 1.00 0.00 C ATOM 510 NH1 ARG A 36 -23.902 4.848 7.972 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.556 3.966 5.957 1.00 0.00 N ATOM 0 H ARG A 36 -18.230 3.628 3.509 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.396 3.936 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.612 4.791 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.048 3.227 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.242 2.230 7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.232 3.434 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -21.546 3.818 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.003 5.149 7.531 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.154 3.365 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -23.171 5.045 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -24.864 5.134 8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -24.329 3.483 5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.516 4.254 6.145 1.00 0.00 H new ATOM 525 N ILE A 37 -17.068 1.552 6.868 1.00 0.00 N ATOM 526 CA ILE A 37 -16.778 0.157 7.177 1.00 0.00 C ATOM 527 C ILE A 37 -16.983 -0.131 8.660 1.00 0.00 C ATOM 528 O ILE A 37 -16.476 0.589 9.519 1.00 0.00 O ATOM 529 CB ILE A 37 -15.335 -0.217 6.788 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.335 0.615 7.592 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.121 -0.017 5.295 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.766 -0.114 8.789 1.00 0.00 C ATOM 0 H ILE A 37 -16.705 2.219 7.549 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.472 -0.447 6.592 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.172 -1.269 7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.517 0.916 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.824 1.528 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.097 -0.285 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.814 -0.650 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.299 1.027 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.065 0.537 9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.575 -0.392 9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.247 -1.013 8.455 1.00 0.00 H new ATOM 544 N SER A 38 -17.729 -1.192 8.954 1.00 0.00 N ATOM 545 CA SER A 38 -18.003 -1.575 10.333 1.00 0.00 C ATOM 546 C SER A 38 -16.973 -2.584 10.832 1.00 0.00 C ATOM 547 O SER A 38 -16.407 -3.363 10.064 1.00 0.00 O ATOM 548 CB SER A 38 -19.410 -2.165 10.451 1.00 0.00 C ATOM 549 OG SER A 38 -19.475 -3.126 11.491 1.00 0.00 O ATOM 0 H SER A 38 -18.154 -1.801 8.255 1.00 0.00 H new ATOM 0 HA SER A 38 -17.939 -0.680 10.952 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.127 -1.367 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.694 -2.628 9.506 1.00 0.00 H new ATOM 0 HG SER A 38 -20.385 -3.487 11.547 1.00 0.00 H new ATOM 555 N PRO A 39 -16.722 -2.571 12.149 1.00 0.00 N ATOM 556 CA PRO A 39 -17.389 -1.648 13.073 1.00 0.00 C ATOM 557 C PRO A 39 -16.941 -0.204 12.873 1.00 0.00 C ATOM 558 O PRO A 39 -15.775 0.059 12.580 1.00 0.00 O ATOM 559 CB PRO A 39 -16.961 -2.155 14.452 1.00 0.00 C ATOM 560 CG PRO A 39 -15.668 -2.854 14.214 1.00 0.00 C ATOM 561 CD PRO A 39 -15.769 -3.455 12.839 1.00 0.00 C ATOM 0 HA PRO A 39 -18.469 -1.633 12.926 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.842 -1.332 15.157 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.705 -2.831 14.874 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.831 -2.158 14.275 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.497 -3.625 14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.802 -3.473 12.337 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.129 -4.483 12.875 1.00 0.00 H new ATOM 569 N ALA A 40 -17.874 0.728 13.035 1.00 0.00 N ATOM 570 CA ALA A 40 -17.574 2.146 12.876 1.00 0.00 C ATOM 571 C ALA A 40 -16.386 2.556 13.740 1.00 0.00 C ATOM 572 O ALA A 40 -15.691 3.524 13.436 1.00 0.00 O ATOM 573 CB ALA A 40 -18.795 2.986 13.220 1.00 0.00 C ATOM 0 H ALA A 40 -18.844 0.527 13.276 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.309 2.321 11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.556 4.042 13.097 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.618 2.720 12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.087 2.798 14.253 1.00 0.00 H new ATOM 579 N ASN A 41 -16.160 1.813 14.818 1.00 0.00 N ATOM 580 CA ASN A 41 -15.057 2.101 15.727 1.00 0.00 C ATOM 581 C ASN A 41 -13.844 1.235 15.402 1.00 0.00 C ATOM 582 O ASN A 41 -13.089 0.846 16.293 1.00 0.00 O ATOM 583 CB ASN A 41 -15.489 1.869 17.177 1.00 0.00 C ATOM 584 CG ASN A 41 -16.561 2.844 17.623 1.00 0.00 C ATOM 585 OD1 ASN A 41 -16.272 3.842 18.285 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.807 2.559 17.264 1.00 0.00 N ATOM 0 H ASN A 41 -16.726 1.007 15.083 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.779 3.147 15.601 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.861 0.850 17.284 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.622 1.962 17.831 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -18.571 3.178 17.537 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -18.001 1.721 16.715 1.00 0.00 H new ATOM 593 N TYR A 42 -13.663 0.939 14.120 1.00 0.00 N ATOM 594 CA TYR A 42 -12.542 0.118 13.676 1.00 0.00 C ATOM 595 C TYR A 42 -11.337 0.984 13.326 1.00 0.00 C ATOM 596 O TYR A 42 -11.459 1.973 12.603 1.00 0.00 O ATOM 597 CB TYR A 42 -12.948 -0.724 12.465 1.00 0.00 C ATOM 598 CG TYR A 42 -11.899 -1.730 12.048 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.772 -1.333 11.339 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.034 -3.076 12.363 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.811 -2.249 10.955 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.078 -3.998 11.984 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.968 -3.580 11.280 1.00 0.00 C ATOM 604 OH TYR A 42 -9.013 -4.494 10.901 1.00 0.00 O ATOM 0 H TYR A 42 -14.278 1.255 13.370 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.264 -0.545 14.495 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.874 -1.251 12.694 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.157 -0.061 11.626 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.645 -0.291 11.084 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.902 -3.407 12.914 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.941 -1.924 10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.199 -5.041 12.238 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.274 -5.387 11.209 1.00 0.00 H new ATOM 614 N GLU A 43 -10.173 0.605 13.844 1.00 0.00 N ATOM 615 CA GLU A 43 -8.944 1.347 13.587 1.00 0.00 C ATOM 616 C GLU A 43 -7.762 0.710 14.310 1.00 0.00 C ATOM 617 O GLU A 43 -7.922 -0.045 15.270 1.00 0.00 O ATOM 618 CB GLU A 43 -9.101 2.804 14.028 1.00 0.00 C ATOM 619 CG GLU A 43 -9.981 2.978 15.254 1.00 0.00 C ATOM 620 CD GLU A 43 -9.675 4.252 16.017 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.840 5.046 15.535 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.271 4.456 17.095 1.00 0.00 O ATOM 0 H GLU A 43 -10.055 -0.211 14.444 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.750 1.318 12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.115 3.220 14.237 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.522 3.381 13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.027 2.985 14.947 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.849 2.122 15.916 1.00 0.00 H new ATOM 629 N PRO A 44 -6.544 1.019 13.840 1.00 0.00 N ATOM 630 CA PRO A 44 -6.341 1.916 12.698 1.00 0.00 C ATOM 631 C PRO A 44 -6.799 1.293 11.383 1.00 0.00 C ATOM 632 O PRO A 44 -7.219 0.137 11.346 1.00 0.00 O ATOM 633 CB PRO A 44 -4.827 2.138 12.686 1.00 0.00 C ATOM 634 CG PRO A 44 -4.262 0.930 13.352 1.00 0.00 C ATOM 635 CD PRO A 44 -5.272 0.517 14.386 1.00 0.00 C ATOM 0 HA PRO A 44 -6.919 2.835 12.794 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.450 2.242 11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.556 3.048 13.221 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.092 0.130 12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.300 1.153 13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.291 -0.565 14.520 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.052 0.955 15.360 1.00 0.00 H new ATOM 643 N VAL A 45 -6.714 2.067 10.306 1.00 0.00 N ATOM 644 CA VAL A 45 -7.118 1.591 8.989 1.00 0.00 C ATOM 645 C VAL A 45 -5.952 1.631 8.008 1.00 0.00 C ATOM 646 O VAL A 45 -5.065 2.479 8.116 1.00 0.00 O ATOM 647 CB VAL A 45 -8.281 2.427 8.421 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.580 2.088 9.135 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.972 3.913 8.534 1.00 0.00 C ATOM 0 H VAL A 45 -6.369 3.027 10.320 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.449 0.560 9.114 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.401 2.183 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.390 2.688 8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.805 1.030 8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.477 2.302 10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.803 4.489 8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.825 4.176 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.065 4.140 7.973 1.00 0.00 H new ATOM 659 N HIS A 46 -5.959 0.710 7.050 1.00 0.00 N ATOM 660 CA HIS A 46 -4.901 0.641 6.048 1.00 0.00 C ATOM 661 C HIS A 46 -5.416 1.084 4.682 1.00 0.00 C ATOM 662 O HIS A 46 -6.574 0.847 4.339 1.00 0.00 O ATOM 663 CB HIS A 46 -4.345 -0.781 5.960 1.00 0.00 C ATOM 664 CG HIS A 46 -3.909 -1.337 7.280 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.240 -0.590 8.227 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.051 -2.574 7.811 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.987 -1.344 9.282 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.470 -2.552 9.055 1.00 0.00 N ATOM 0 H HIS A 46 -6.685 0.001 6.946 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.102 1.317 6.352 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.106 -1.434 5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.498 -0.789 5.274 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.532 -3.421 7.343 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.473 -1.027 10.177 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.420 -3.341 9.699 1.00 0.00 H new ATOM 676 N TRP A 47 -4.550 1.729 3.909 1.00 0.00 N ATOM 677 CA TRP A 47 -4.919 2.206 2.581 1.00 0.00 C ATOM 678 C TRP A 47 -3.817 1.907 1.570 1.00 0.00 C ATOM 679 O TRP A 47 -2.654 2.250 1.785 1.00 0.00 O ATOM 680 CB TRP A 47 -5.202 3.708 2.617 1.00 0.00 C ATOM 681 CG TRP A 47 -6.483 4.055 3.312 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.735 3.982 4.652 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.689 4.528 2.701 1.00 0.00 C ATOM 684 NE1 TRP A 47 -8.024 4.381 4.911 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.630 4.721 3.731 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.064 4.808 1.384 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.921 5.180 3.483 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.346 5.263 1.140 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.261 5.447 2.185 1.00 0.00 C ATOM 0 H TRP A 47 -3.588 1.934 4.179 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.823 1.681 2.271 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.377 4.214 3.118 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.236 4.088 1.596 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.025 3.658 5.399 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.459 4.418 5.833 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.365 4.671 0.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.629 5.320 4.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.648 5.481 0.126 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.254 5.807 1.961 1.00 0.00 H new ATOM 700 N PHE A 48 -4.190 1.267 0.467 1.00 0.00 N ATOM 701 CA PHE A 48 -3.232 0.921 -0.577 1.00 0.00 C ATOM 702 C PHE A 48 -3.694 1.446 -1.933 1.00 0.00 C ATOM 703 O PHE A 48 -4.865 1.780 -2.117 1.00 0.00 O ATOM 704 CB PHE A 48 -3.042 -0.596 -0.642 1.00 0.00 C ATOM 705 CG PHE A 48 -2.521 -1.190 0.635 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.377 -1.449 1.693 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.176 -1.489 0.777 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.901 -1.997 2.870 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.694 -2.037 1.951 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.558 -2.290 2.999 1.00 0.00 C ATOM 0 H PHE A 48 -5.149 0.977 0.273 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.279 1.389 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.995 -1.063 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.352 -0.833 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.428 -1.220 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.496 -1.292 -0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.579 -2.195 3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.357 -2.267 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.183 -2.716 3.918 1.00 0.00 H new ATOM 720 N LEU A 49 -2.765 1.517 -2.881 1.00 0.00 N ATOM 721 CA LEU A 49 -3.075 2.002 -4.221 1.00 0.00 C ATOM 722 C LEU A 49 -2.362 1.167 -5.280 1.00 0.00 C ATOM 723 O LEU A 49 -1.158 1.310 -5.491 1.00 0.00 O ATOM 724 CB LEU A 49 -2.674 3.471 -4.359 1.00 0.00 C ATOM 725 CG LEU A 49 -2.941 4.116 -5.720 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.752 3.917 -6.647 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.206 3.543 -6.341 1.00 0.00 C ATOM 0 H LEU A 49 -1.791 1.245 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.150 1.910 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.203 4.044 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.610 3.558 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.085 5.186 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.960 4.382 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.866 4.375 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.576 2.851 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.381 4.013 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.090 2.467 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.054 3.738 -5.684 1.00 0.00 H new ATOM 739 N ASP A 50 -3.115 0.297 -5.945 1.00 0.00 N ATOM 740 CA ASP A 50 -2.556 -0.559 -6.985 1.00 0.00 C ATOM 741 C ASP A 50 -1.587 -1.576 -6.390 1.00 0.00 C ATOM 742 O ASP A 50 -1.932 -2.743 -6.204 1.00 0.00 O ATOM 743 CB ASP A 50 -1.843 0.286 -8.042 1.00 0.00 C ATOM 744 CG ASP A 50 -2.601 0.334 -9.354 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.848 0.283 -9.321 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.947 0.423 -10.414 1.00 0.00 O ATOM 0 H ASP A 50 -4.113 0.166 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.377 -1.100 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.712 1.300 -7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.847 -0.120 -8.216 1.00 0.00 H new ATOM 751 N LYS A 51 -0.373 -1.126 -6.094 1.00 0.00 N ATOM 752 CA LYS A 51 0.647 -1.995 -5.520 1.00 0.00 C ATOM 753 C LYS A 51 1.612 -1.199 -4.647 1.00 0.00 C ATOM 754 O LYS A 51 2.823 -1.421 -4.680 1.00 0.00 O ATOM 755 CB LYS A 51 1.420 -2.712 -6.630 1.00 0.00 C ATOM 756 CG LYS A 51 0.551 -3.608 -7.495 1.00 0.00 C ATOM 757 CD LYS A 51 1.353 -4.253 -8.612 1.00 0.00 C ATOM 758 CE LYS A 51 0.896 -5.680 -8.875 1.00 0.00 C ATOM 759 NZ LYS A 51 1.642 -6.663 -8.041 1.00 0.00 N ATOM 0 H LYS A 51 -0.071 -0.163 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 51 0.147 -2.736 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.904 -1.968 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.212 -3.312 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.098 -4.383 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.264 -3.024 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.250 -3.663 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.411 -4.251 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.171 -5.764 -8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.036 -5.918 -9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.302 -7.624 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.658 -6.601 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.488 -6.452 -7.034 1.00 0.00 H new ATOM 773 N THR A 52 1.068 -0.272 -3.865 1.00 0.00 N ATOM 774 CA THR A 52 1.880 0.556 -2.983 1.00 0.00 C ATOM 775 C THR A 52 1.079 1.017 -1.770 1.00 0.00 C ATOM 776 O THR A 52 -0.043 1.508 -1.887 1.00 0.00 O ATOM 777 CB THR A 52 2.429 1.792 -3.721 1.00 0.00 C ATOM 778 OG1 THR A 52 3.095 1.389 -4.923 1.00 0.00 O ATOM 779 CG2 THR A 52 3.394 2.567 -2.835 1.00 0.00 C ATOM 0 H THR A 52 0.068 -0.076 -3.825 1.00 0.00 H new ATOM 0 HA THR A 52 2.715 -0.061 -2.651 1.00 0.00 H new ATOM 0 HB THR A 52 1.590 2.441 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.440 2.180 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.769 3.435 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.876 2.897 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.229 1.924 -2.558 1.00 0.00 H new ATOM 787 N PRO A 53 1.668 0.857 -0.576 1.00 0.00 N ATOM 788 CA PRO A 53 1.028 1.251 0.682 1.00 0.00 C ATOM 789 C PRO A 53 0.921 2.765 0.829 1.00 0.00 C ATOM 790 O PRO A 53 1.742 3.511 0.291 1.00 0.00 O ATOM 791 CB PRO A 53 1.959 0.675 1.751 1.00 0.00 C ATOM 792 CG PRO A 53 3.288 0.581 1.084 1.00 0.00 C ATOM 793 CD PRO A 53 3.005 0.278 -0.361 1.00 0.00 C ATOM 0 HA PRO A 53 0.003 0.886 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.001 1.320 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.616 -0.303 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.843 1.514 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.897 -0.203 1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.748 0.728 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.015 -0.794 -0.556 1.00 0.00 H new ATOM 801 N LEU A 54 -0.094 3.215 1.559 1.00 0.00 N ATOM 802 CA LEU A 54 -0.307 4.641 1.776 1.00 0.00 C ATOM 803 C LEU A 54 -0.436 4.952 3.264 1.00 0.00 C ATOM 804 O LEU A 54 -1.177 4.285 3.987 1.00 0.00 O ATOM 805 CB LEU A 54 -1.561 5.108 1.036 1.00 0.00 C ATOM 806 CG LEU A 54 -1.522 4.994 -0.489 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.925 4.813 -1.047 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.859 6.221 -1.098 1.00 0.00 C ATOM 0 H LEU A 54 -0.782 2.612 2.010 1.00 0.00 H new ATOM 0 HA LEU A 54 0.559 5.176 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.410 4.531 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.746 6.150 1.298 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.932 4.117 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.877 4.734 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.366 3.905 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.539 5.671 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.840 6.123 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.423 7.113 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.161 6.307 -0.723 1.00 0.00 H new ATOM 820 N HIS A 55 0.289 5.970 3.716 1.00 0.00 N ATOM 821 CA HIS A 55 0.254 6.372 5.118 1.00 0.00 C ATOM 822 C HIS A 55 0.107 7.885 5.246 1.00 0.00 C ATOM 823 O HIS A 55 0.660 8.641 4.449 1.00 0.00 O ATOM 824 CB HIS A 55 1.522 5.908 5.835 1.00 0.00 C ATOM 825 CG HIS A 55 1.878 4.479 5.559 1.00 0.00 C ATOM 826 ND1 HIS A 55 3.068 4.100 4.976 1.00 0.00 N ATOM 827 CD2 HIS A 55 1.192 3.335 5.790 1.00 0.00 C ATOM 828 CE1 HIS A 55 3.099 2.784 4.859 1.00 0.00 C ATOM 829 NE2 HIS A 55 1.973 2.296 5.346 1.00 0.00 N ATOM 0 H HIS A 55 0.908 6.532 3.132 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.611 5.900 5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.353 6.545 5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.391 6.040 6.909 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.213 3.254 6.240 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.908 2.206 4.437 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.724 1.308 5.386 1.00 0.00 H new ATOM 837 N ALA A 56 -0.642 8.319 6.255 1.00 0.00 N ATOM 838 CA ALA A 56 -0.860 9.741 6.488 1.00 0.00 C ATOM 839 C ALA A 56 0.459 10.465 6.732 1.00 0.00 C ATOM 840 O ALA A 56 1.319 9.979 7.466 1.00 0.00 O ATOM 841 CB ALA A 56 -1.802 9.944 7.665 1.00 0.00 C ATOM 0 H ALA A 56 -1.108 7.706 6.924 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.317 10.165 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.956 11.011 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.759 9.468 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.367 9.499 8.560 1.00 0.00 H new ATOM 847 N ASN A 57 0.613 11.631 6.112 1.00 0.00 N ATOM 848 CA ASN A 57 1.829 12.422 6.261 1.00 0.00 C ATOM 849 C ASN A 57 1.590 13.870 5.846 1.00 0.00 C ATOM 850 O ASN A 57 0.449 14.295 5.670 1.00 0.00 O ATOM 851 CB ASN A 57 2.960 11.820 5.425 1.00 0.00 C ATOM 852 CG ASN A 57 2.782 12.077 3.941 1.00 0.00 C ATOM 853 OD1 ASN A 57 1.936 11.464 3.291 1.00 0.00 O ATOM 854 ND2 ASN A 57 3.581 12.989 3.399 1.00 0.00 N ATOM 0 H ASN A 57 -0.089 12.049 5.502 1.00 0.00 H new ATOM 0 HA ASN A 57 2.116 12.407 7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.912 12.238 5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.007 10.745 5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.507 13.206 2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.268 13.473 3.977 1.00 0.00 H new ATOM 861 N GLU A 58 2.675 14.623 5.692 1.00 0.00 N ATOM 862 CA GLU A 58 2.582 16.024 5.298 1.00 0.00 C ATOM 863 C GLU A 58 1.690 16.186 4.071 1.00 0.00 C ATOM 864 O GLU A 58 1.025 17.209 3.903 1.00 0.00 O ATOM 865 CB GLU A 58 3.975 16.588 5.008 1.00 0.00 C ATOM 866 CG GLU A 58 3.953 17.981 4.402 1.00 0.00 C ATOM 867 CD GLU A 58 4.852 18.953 5.142 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.413 19.498 6.176 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.994 19.169 4.685 1.00 0.00 O ATOM 0 H GLU A 58 3.627 14.287 5.834 1.00 0.00 H new ATOM 0 HA GLU A 58 2.138 16.579 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.548 16.613 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.497 15.914 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.265 17.925 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.931 18.360 4.408 1.00 0.00 H new ATOM 876 N LEU A 59 1.682 15.170 3.215 1.00 0.00 N ATOM 877 CA LEU A 59 0.872 15.199 2.001 1.00 0.00 C ATOM 878 C LEU A 59 -0.394 14.365 2.172 1.00 0.00 C ATOM 879 O LEU A 59 -1.506 14.877 2.052 1.00 0.00 O ATOM 880 CB LEU A 59 1.682 14.680 0.812 1.00 0.00 C ATOM 881 CG LEU A 59 2.983 15.425 0.509 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.769 14.707 -0.577 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.691 16.861 0.098 1.00 0.00 C ATOM 0 H LEU A 59 2.227 14.316 3.338 1.00 0.00 H new ATOM 0 HA LEU A 59 0.581 16.232 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.920 13.631 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.051 14.717 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 59 3.589 15.443 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.691 15.252 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.009 13.697 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.170 14.657 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.628 17.376 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.065 16.864 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.171 17.373 0.908 1.00 0.00 H new ATOM 895 N ASN A 60 -0.215 13.078 2.453 1.00 0.00 N ATOM 896 CA ASN A 60 -1.344 12.174 2.642 1.00 0.00 C ATOM 897 C ASN A 60 -2.214 12.626 3.811 1.00 0.00 C ATOM 898 O ASN A 60 -1.717 13.190 4.785 1.00 0.00 O ATOM 899 CB ASN A 60 -0.846 10.748 2.885 1.00 0.00 C ATOM 900 CG ASN A 60 -0.082 10.192 1.698 1.00 0.00 C ATOM 901 OD1 ASN A 60 0.429 10.944 0.868 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.003 8.869 1.613 1.00 0.00 N ATOM 0 H ASN A 60 0.700 12.638 2.555 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.948 12.192 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.203 10.736 3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.696 10.101 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.497 8.437 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.442 8.285 2.325 1.00 0.00 H new ATOM 909 N GLU A 61 -3.515 12.374 3.705 1.00 0.00 N ATOM 910 CA GLU A 61 -4.454 12.756 4.753 1.00 0.00 C ATOM 911 C GLU A 61 -5.508 11.672 4.961 1.00 0.00 C ATOM 912 O GLU A 61 -6.157 11.233 4.011 1.00 0.00 O ATOM 913 CB GLU A 61 -5.133 14.082 4.402 1.00 0.00 C ATOM 914 CG GLU A 61 -4.819 15.203 5.378 1.00 0.00 C ATOM 915 CD GLU A 61 -3.721 16.122 4.878 1.00 0.00 C ATOM 916 OE1 GLU A 61 -2.577 15.648 4.721 1.00 0.00 O ATOM 917 OE2 GLU A 61 -4.008 17.315 4.644 1.00 0.00 O ATOM 0 H GLU A 61 -3.942 11.907 2.905 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.894 12.877 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.824 14.385 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.212 13.931 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.722 15.786 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.521 14.774 6.335 1.00 0.00 H new ATOM 924 N ILE A 62 -5.671 11.245 6.208 1.00 0.00 N ATOM 925 CA ILE A 62 -6.645 10.213 6.541 1.00 0.00 C ATOM 926 C ILE A 62 -7.479 10.615 7.753 1.00 0.00 C ATOM 927 O ILE A 62 -7.031 10.496 8.894 1.00 0.00 O ATOM 928 CB ILE A 62 -5.960 8.864 6.827 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.186 8.389 5.596 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.991 7.825 7.245 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.786 7.910 5.911 1.00 0.00 C ATOM 0 H ILE A 62 -5.141 11.598 7.005 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.297 10.103 5.675 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.254 8.998 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.739 7.580 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.129 9.205 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.492 6.877 7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.502 8.162 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.718 7.691 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.296 7.588 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.216 8.723 6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.836 7.073 6.608 1.00 0.00 H new ATOM 943 N ASP A 63 -8.693 11.089 7.498 1.00 0.00 N ATOM 944 CA ASP A 63 -9.592 11.505 8.569 1.00 0.00 C ATOM 945 C ASP A 63 -10.401 10.322 9.090 1.00 0.00 C ATOM 946 O ASP A 63 -10.205 9.186 8.660 1.00 0.00 O ATOM 947 CB ASP A 63 -10.534 12.604 8.074 1.00 0.00 C ATOM 948 CG ASP A 63 -10.777 13.673 9.122 1.00 0.00 C ATOM 949 OD1 ASP A 63 -11.715 13.509 9.930 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.029 14.672 9.134 1.00 0.00 O ATOM 0 H ASP A 63 -9.078 11.195 6.559 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.987 11.896 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.113 13.064 7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.486 12.159 7.785 1.00 0.00 H new ATOM 955 N ALA A 64 -11.309 10.597 10.021 1.00 0.00 N ATOM 956 CA ALA A 64 -12.148 9.555 10.601 1.00 0.00 C ATOM 957 C ALA A 64 -13.525 10.099 10.966 1.00 0.00 C ATOM 958 O ALA A 64 -13.883 10.168 12.141 1.00 0.00 O ATOM 959 CB ALA A 64 -11.473 8.956 11.826 1.00 0.00 C ATOM 0 H ALA A 64 -11.482 11.532 10.390 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.282 8.772 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.110 8.179 12.249 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.515 8.523 11.538 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.310 9.736 12.569 1.00 0.00 H new ATOM 965 N GLN A 65 -14.291 10.485 9.951 1.00 0.00 N ATOM 966 CA GLN A 65 -15.628 11.025 10.166 1.00 0.00 C ATOM 967 C GLN A 65 -16.461 10.087 11.034 1.00 0.00 C ATOM 968 O GLN A 65 -16.156 8.903 11.180 1.00 0.00 O ATOM 969 CB GLN A 65 -16.330 11.256 8.827 1.00 0.00 C ATOM 970 CG GLN A 65 -16.142 12.661 8.276 1.00 0.00 C ATOM 971 CD GLN A 65 -16.503 12.765 6.808 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.381 12.052 6.320 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.827 13.657 6.093 1.00 0.00 N ATOM 0 H GLN A 65 -14.009 10.434 8.972 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.527 11.978 10.685 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.954 10.536 8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.396 11.061 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.757 13.357 8.848 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.104 12.965 8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.108 14.227 6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.027 13.772 5.099 1.00 0.00 H new ATOM 982 N PRO A 66 -17.537 10.626 11.626 1.00 0.00 N ATOM 983 CA PRO A 66 -18.435 9.854 12.489 1.00 0.00 C ATOM 984 C PRO A 66 -19.255 8.832 11.708 1.00 0.00 C ATOM 985 O PRO A 66 -19.808 9.141 10.654 1.00 0.00 O ATOM 986 CB PRO A 66 -19.350 10.922 13.095 1.00 0.00 C ATOM 987 CG PRO A 66 -19.334 12.038 12.108 1.00 0.00 C ATOM 988 CD PRO A 66 -17.960 12.030 11.496 1.00 0.00 C ATOM 0 HA PRO A 66 -17.887 9.272 13.230 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.360 10.540 13.244 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.986 11.249 14.069 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.101 11.897 11.347 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.539 12.992 12.594 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.983 12.348 10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.283 12.704 12.020 1.00 0.00 H new ATOM 996 N GLY A 67 -19.328 7.613 12.233 1.00 0.00 N ATOM 997 CA GLY A 67 -20.083 6.564 11.571 1.00 0.00 C ATOM 998 C GLY A 67 -19.197 5.630 10.771 1.00 0.00 C ATOM 999 O GLY A 67 -19.679 4.882 9.922 1.00 0.00 O ATOM 0 H GLY A 67 -18.878 7.333 13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.632 5.989 12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.822 7.015 10.909 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.896 5.673 11.042 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.962 4.820 10.331 1.00 0.00 C ATOM 1005 C GLY A 68 -16.616 5.357 8.957 1.00 0.00 C ATOM 1006 O GLY A 68 -16.134 4.619 8.097 1.00 0.00 O ATOM 0 H GLY A 68 -17.472 6.283 11.741 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.049 4.718 10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.390 3.823 10.231 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.863 6.645 8.748 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.579 7.280 7.466 1.00 0.00 C ATOM 1012 C TYR A 69 -15.097 7.621 7.344 1.00 0.00 C ATOM 1013 O TYR A 69 -14.646 8.664 7.819 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.420 8.547 7.303 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.670 8.342 6.477 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.722 7.570 6.953 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.798 8.921 5.220 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.865 7.379 6.201 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -19.938 8.737 4.462 1.00 0.00 C ATOM 1020 CZ TYR A 69 -20.969 7.965 4.957 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.107 7.779 4.205 1.00 0.00 O ATOM 0 H TYR A 69 -17.259 7.270 9.450 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.838 6.576 6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.703 8.915 8.289 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.810 9.321 6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.645 7.111 7.928 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.992 9.525 4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.673 6.774 6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.022 9.195 3.487 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.436 6.865 4.331 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.343 6.733 6.703 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.911 6.939 6.516 1.00 0.00 C ATOM 1033 C HIS A 70 -12.641 7.770 5.265 1.00 0.00 C ATOM 1034 O HIS A 70 -12.876 7.319 4.144 1.00 0.00 O ATOM 1035 CB HIS A 70 -12.190 5.595 6.415 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.239 4.792 7.679 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.895 5.308 8.911 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.595 3.505 7.897 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -12.036 4.371 9.832 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.460 3.268 9.243 1.00 0.00 N ATOM 0 H HIS A 70 -14.700 5.864 6.305 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.531 7.482 7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.635 5.013 5.607 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.148 5.770 6.146 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.581 6.263 9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.924 2.796 7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.838 4.488 10.887 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.146 8.988 5.465 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.843 9.882 4.354 1.00 0.00 C ATOM 1050 C VAL A 71 -10.344 9.933 4.083 1.00 0.00 C ATOM 1051 O VAL A 71 -9.540 10.093 5.003 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.353 11.309 4.628 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.196 12.179 3.389 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.803 11.278 5.086 1.00 0.00 C ATOM 0 H VAL A 71 -11.947 9.378 6.386 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.354 9.483 3.478 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.752 11.743 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.562 13.184 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.144 12.227 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.770 11.750 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.147 12.295 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.420 10.825 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.883 10.692 6.002 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.972 9.796 2.815 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.568 9.827 2.421 1.00 0.00 C ATOM 1066 C LEU A 72 -8.312 10.937 1.406 1.00 0.00 C ATOM 1067 O LEU A 72 -8.683 10.823 0.238 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.153 8.477 1.833 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.729 8.394 1.283 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.751 8.021 2.386 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.656 7.391 0.141 1.00 0.00 C ATOM 0 H LEU A 72 -10.624 9.662 2.042 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.971 10.028 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.268 7.716 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.846 8.224 1.031 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.452 9.375 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.743 7.967 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.783 8.776 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.025 7.052 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.635 7.345 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.954 6.406 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.327 7.702 -0.660 1.00 0.00 H new ATOM 1083 N THR A 73 -7.672 12.010 1.860 1.00 0.00 N ATOM 1084 CA THR A 73 -7.365 13.140 0.993 1.00 0.00 C ATOM 1085 C THR A 73 -5.909 13.107 0.542 1.00 0.00 C ATOM 1086 O THR A 73 -5.036 13.693 1.184 1.00 0.00 O ATOM 1087 CB THR A 73 -7.641 14.482 1.698 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.849 14.393 2.463 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.758 15.611 0.686 1.00 0.00 C ATOM 0 H THR A 73 -7.356 12.120 2.824 1.00 0.00 H new ATOM 0 HA THR A 73 -8.015 13.055 0.122 1.00 0.00 H new ATOM 0 HB THR A 73 -6.805 14.697 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.017 15.249 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.953 16.548 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.827 15.695 0.125 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.578 15.401 -0.001 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.653 12.420 -0.566 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.302 12.311 -1.104 1.00 0.00 C ATOM 1099 C LEU A 74 -3.876 13.613 -1.775 1.00 0.00 C ATOM 1100 O LEU A 74 -4.166 13.841 -2.950 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.222 11.158 -2.106 1.00 0.00 C ATOM 1102 CG LEU A 74 -4.040 9.762 -1.509 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.435 8.694 -2.517 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.603 9.560 -1.051 1.00 0.00 C ATOM 0 H LEU A 74 -6.364 11.930 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.623 12.112 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.133 11.159 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.393 11.351 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.693 9.672 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.299 7.707 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.481 8.825 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.809 8.783 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.493 8.561 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.931 9.671 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.355 10.303 -0.293 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.186 14.463 -1.022 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.719 15.742 -1.544 1.00 0.00 C ATOM 1118 C ARG A 75 -1.444 15.562 -2.362 1.00 0.00 C ATOM 1119 O ARG A 75 -0.612 14.709 -2.053 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.469 16.724 -0.398 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.615 16.804 0.596 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.452 17.984 1.541 1.00 0.00 C ATOM 1123 NE ARG A 75 -3.462 19.260 0.830 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.552 19.791 0.289 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -5.715 19.160 0.378 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -4.481 20.956 -0.343 1.00 0.00 N ATOM 0 H ARG A 75 -2.938 14.289 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.494 16.145 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.562 16.430 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.289 17.716 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.559 16.895 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.664 15.880 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.256 17.973 2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.516 17.882 2.090 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.583 19.771 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.774 18.265 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.551 19.570 -0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.588 21.444 -0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.319 21.363 -0.758 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.298 16.371 -3.407 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.124 16.300 -4.269 1.00 0.00 C ATOM 1142 C GLN A 76 0.028 14.905 -4.867 1.00 0.00 C ATOM 1143 O GLN A 76 0.955 14.169 -4.524 1.00 0.00 O ATOM 1144 CB GLN A 76 1.135 16.672 -3.485 1.00 0.00 C ATOM 1145 CG GLN A 76 1.067 18.049 -2.844 1.00 0.00 C ATOM 1146 CD GLN A 76 2.416 18.740 -2.802 1.00 0.00 C ATOM 1147 OE1 GLN A 76 2.879 19.160 -1.741 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.056 18.861 -3.959 1.00 0.00 N ATOM 0 H GLN A 76 -1.977 17.082 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.259 17.012 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.303 15.926 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.994 16.634 -4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.362 18.669 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.679 17.955 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.636 18.498 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.968 19.316 -3.992 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.886 14.546 -5.761 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.853 13.238 -6.407 1.00 0.00 C ATOM 1159 C LEU A 77 -0.031 13.285 -7.691 1.00 0.00 C ATOM 1160 O LEU A 77 0.542 14.319 -8.035 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.275 12.764 -6.715 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.099 12.291 -5.517 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.575 12.584 -5.736 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.879 10.806 -5.271 1.00 0.00 C ATOM 0 H LEU A 77 -1.660 15.142 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.382 12.533 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.811 13.580 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.217 11.948 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.768 12.838 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.146 12.241 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.718 13.657 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.920 12.065 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.473 10.487 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.182 10.242 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.824 10.623 -5.068 1.00 0.00 H new ATOM 1176 N ALA A 78 0.020 12.160 -8.396 1.00 0.00 N ATOM 1177 CA ALA A 78 0.768 12.074 -9.644 1.00 0.00 C ATOM 1178 C ALA A 78 0.060 11.169 -10.647 1.00 0.00 C ATOM 1179 O ALA A 78 -0.748 10.320 -10.270 1.00 0.00 O ATOM 1180 CB ALA A 78 2.179 11.570 -9.380 1.00 0.00 C ATOM 0 H ALA A 78 -0.448 11.295 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 78 0.826 13.074 -10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.726 11.511 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.690 12.257 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.133 10.581 -8.924 1.00 0.00 H new ATOM 1186 N LEU A 79 0.368 11.357 -11.925 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.239 10.557 -12.984 1.00 0.00 C ATOM 1188 C LEU A 79 0.034 9.072 -12.770 1.00 0.00 C ATOM 1189 O LEU A 79 -0.688 8.217 -13.281 1.00 0.00 O ATOM 1190 CB LEU A 79 0.294 10.994 -14.350 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.234 12.327 -14.881 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.607 12.803 -16.056 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.695 12.199 -15.286 1.00 0.00 C ATOM 0 H LEU A 79 1.034 12.056 -12.254 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.317 10.717 -12.953 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.381 11.054 -14.291 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.056 10.217 -15.076 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.162 13.068 -14.085 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.217 13.753 -16.421 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.640 12.934 -15.734 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.567 12.063 -16.855 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.054 13.157 -15.661 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.791 11.444 -16.067 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.288 11.903 -14.420 1.00 0.00 H new ATOM 1205 N LYS A 80 1.081 8.772 -12.009 1.00 0.00 N ATOM 1206 CA LYS A 80 1.449 7.391 -11.723 1.00 0.00 C ATOM 1207 C LYS A 80 0.547 6.799 -10.644 1.00 0.00 C ATOM 1208 O LYS A 80 0.446 5.580 -10.506 1.00 0.00 O ATOM 1209 CB LYS A 80 2.912 7.312 -11.278 1.00 0.00 C ATOM 1210 CG LYS A 80 3.214 8.130 -10.034 1.00 0.00 C ATOM 1211 CD LYS A 80 4.619 8.707 -10.074 1.00 0.00 C ATOM 1212 CE LYS A 80 5.069 9.174 -8.698 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.481 9.647 -8.708 1.00 0.00 N ATOM 0 H LYS A 80 1.690 9.468 -11.579 1.00 0.00 H new ATOM 0 HA LYS A 80 1.321 6.812 -12.637 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.170 6.270 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.550 7.656 -12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.490 8.940 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.102 7.503 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.312 7.954 -10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.650 9.544 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.418 9.979 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.965 8.356 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.750 9.957 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.105 8.871 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.576 10.444 -9.370 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.108 7.670 -9.885 1.00 0.00 N ATOM 1228 CA ASP A 81 -1.005 7.234 -8.820 1.00 0.00 C ATOM 1229 C ASP A 81 -2.279 6.625 -9.398 1.00 0.00 C ATOM 1230 O ASP A 81 -2.965 5.850 -8.733 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.355 8.409 -7.906 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.562 7.980 -6.466 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.565 7.621 -5.806 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.720 8.004 -6.000 1.00 0.00 O ATOM 0 H ASP A 81 -0.035 8.682 -9.987 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.492 6.470 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.557 9.150 -7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.261 8.893 -8.272 1.00 0.00 H new ATOM 1239 N SER A 82 -2.589 6.983 -10.641 1.00 0.00 N ATOM 1240 CA SER A 82 -3.783 6.475 -11.306 1.00 0.00 C ATOM 1241 C SER A 82 -3.840 4.953 -11.233 1.00 0.00 C ATOM 1242 O SER A 82 -3.092 4.258 -11.918 1.00 0.00 O ATOM 1243 CB SER A 82 -3.808 6.928 -12.768 1.00 0.00 C ATOM 1244 OG SER A 82 -3.256 8.225 -12.910 1.00 0.00 O ATOM 0 H SER A 82 -2.030 7.622 -11.207 1.00 0.00 H new ATOM 0 HA SER A 82 -4.655 6.878 -10.792 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.247 6.222 -13.380 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.834 6.924 -13.136 1.00 0.00 H new ATOM 0 HG SER A 82 -2.296 8.154 -13.093 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.737 4.441 -10.394 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.877 3.004 -10.245 1.00 0.00 C ATOM 1252 C GLY A 83 -6.194 2.613 -9.605 1.00 0.00 C ATOM 1253 O GLY A 83 -7.262 2.834 -10.179 1.00 0.00 O ATOM 0 H GLY A 83 -5.368 4.996 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.798 2.531 -11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.055 2.623 -9.639 1.00 0.00 H new ATOM 1257 N THR A 84 -6.121 2.029 -8.414 1.00 0.00 N ATOM 1258 CA THR A 84 -7.317 1.603 -7.696 1.00 0.00 C ATOM 1259 C THR A 84 -7.041 1.461 -6.204 1.00 0.00 C ATOM 1260 O THR A 84 -6.274 0.593 -5.785 1.00 0.00 O ATOM 1261 CB THR A 84 -7.850 0.264 -8.239 1.00 0.00 C ATOM 1262 OG1 THR A 84 -8.061 0.356 -9.652 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.152 -0.118 -7.551 1.00 0.00 C ATOM 0 H THR A 84 -5.246 1.840 -7.925 1.00 0.00 H new ATOM 0 HA THR A 84 -8.071 2.375 -7.850 1.00 0.00 H new ATOM 0 HB THR A 84 -7.108 -0.507 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.173 1.296 -9.906 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.510 -1.067 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.982 -0.217 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.899 0.656 -7.730 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.671 2.316 -5.406 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.494 2.284 -3.960 1.00 0.00 C ATOM 1273 C ILE A 85 -7.966 0.955 -3.378 1.00 0.00 C ATOM 1274 O ILE A 85 -9.136 0.592 -3.501 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.258 3.432 -3.273 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.763 4.784 -3.792 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.096 3.346 -1.763 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.316 5.068 -3.455 1.00 0.00 C ATOM 0 H ILE A 85 -8.309 3.040 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.427 2.404 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.318 3.338 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.889 4.817 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.387 5.575 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.641 4.164 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.491 2.394 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.039 3.419 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.034 6.042 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.188 5.068 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.682 4.298 -3.895 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.048 0.235 -2.744 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.370 -1.054 -2.143 1.00 0.00 C ATOM 1292 C TYR A 86 -7.422 -0.949 -0.622 1.00 0.00 C ATOM 1293 O TYR A 86 -6.482 -1.336 0.072 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.338 -2.105 -2.557 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.548 -2.642 -3.955 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.611 -3.488 -4.244 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.683 -2.301 -4.988 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.806 -3.981 -5.519 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.870 -2.788 -6.267 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.933 -3.628 -6.528 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.125 -4.116 -7.800 1.00 0.00 O ATOM 0 H TYR A 86 -6.075 0.521 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.353 -1.358 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.341 -1.669 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.372 -2.934 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.297 -3.765 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.850 -1.644 -4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.637 -4.639 -5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.188 -2.513 -7.058 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.424 -3.771 -8.392 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.529 -0.422 -0.110 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.706 -0.264 1.329 1.00 0.00 C ATOM 1313 C PHE A 87 -8.584 -1.607 2.043 1.00 0.00 C ATOM 1314 O PHE A 87 -8.886 -2.654 1.471 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.068 0.365 1.631 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.357 0.494 3.099 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.769 1.500 3.849 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.216 -0.392 3.730 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.032 1.621 5.200 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.483 -0.275 5.081 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.890 0.732 5.817 1.00 0.00 C ATOM 0 H PHE A 87 -9.317 -0.097 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.920 0.395 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.113 1.353 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.849 -0.238 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.097 2.198 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.682 -1.182 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.567 2.410 5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.155 -0.971 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.097 0.824 6.873 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.139 -1.567 3.294 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.976 -2.781 4.086 1.00 0.00 C ATOM 1333 C GLU A 88 -8.543 -2.596 5.490 1.00 0.00 C ATOM 1334 O GLU A 88 -8.326 -1.565 6.127 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.498 -3.169 4.167 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.103 -4.272 3.200 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.637 -4.642 3.304 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.084 -4.565 4.421 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.042 -5.008 2.269 1.00 0.00 O ATOM 0 H GLU A 88 -7.885 -0.708 3.781 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.528 -3.582 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.889 -2.288 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.271 -3.490 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.711 -5.155 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.322 -3.952 2.181 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.270 -3.601 5.966 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.867 -3.551 7.295 1.00 0.00 C ATOM 1348 C ALA A 89 -10.405 -4.916 7.707 1.00 0.00 C ATOM 1349 O ALA A 89 -11.506 -5.304 7.318 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.975 -2.510 7.336 1.00 0.00 C ATOM 0 H ALA A 89 -9.460 -4.461 5.451 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.090 -3.267 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.412 -2.483 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.563 -1.530 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.745 -2.769 6.609 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.621 -5.643 8.498 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.037 -6.958 8.949 1.00 0.00 C ATOM 1358 C GLY A 90 -9.856 -8.021 7.883 1.00 0.00 C ATOM 1359 O GLY A 90 -8.733 -8.315 7.474 1.00 0.00 O ATOM 0 H GLY A 90 -8.705 -5.344 8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.463 -7.234 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.085 -6.922 9.247 1.00 0.00 H new ATOM 1363 N ASP A 91 -10.965 -8.598 7.432 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.924 -9.634 6.407 1.00 0.00 C ATOM 1365 C ASP A 91 -11.603 -9.159 5.126 1.00 0.00 C ATOM 1366 O ASP A 91 -12.004 -9.967 4.289 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.600 -10.910 6.914 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.244 -12.124 6.080 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.086 -12.584 6.164 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -12.124 -12.616 5.343 1.00 0.00 O ATOM 0 H ASP A 91 -11.902 -8.366 7.760 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.879 -9.849 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.308 -11.086 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.681 -10.772 6.907 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.729 -7.844 4.982 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.361 -7.261 3.804 1.00 0.00 C ATOM 1377 C GLN A 92 -11.356 -6.453 2.991 1.00 0.00 C ATOM 1378 O GLN A 92 -10.170 -6.406 3.320 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.535 -6.372 4.217 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.711 -7.145 4.792 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.413 -7.996 3.753 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.139 -7.484 2.900 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.201 -9.306 3.818 1.00 0.00 N ATOM 0 H GLN A 92 -11.402 -7.162 5.666 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.733 -8.075 3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.190 -5.649 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.873 -5.805 3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.360 -7.784 5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.425 -6.444 5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.592 -9.689 4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.647 -9.929 3.145 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.837 -5.817 1.928 1.00 0.00 N ATOM 1393 CA ARG A 93 -10.980 -5.011 1.066 1.00 0.00 C ATOM 1394 C ARG A 93 -11.803 -4.289 0.004 1.00 0.00 C ATOM 1395 O ARG A 93 -12.394 -4.920 -0.873 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.922 -5.890 0.398 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.678 -5.128 -0.028 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.717 -6.018 -0.802 1.00 0.00 C ATOM 1399 NE ARG A 93 -6.338 -5.546 -0.709 1.00 0.00 N ATOM 1400 CZ ARG A 93 -5.306 -6.181 -1.252 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -5.495 -7.309 -1.923 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -4.080 -5.688 -1.124 1.00 0.00 N ATOM 0 H ARG A 93 -12.816 -5.844 1.643 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.483 -4.264 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.633 -6.684 1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.361 -6.371 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.965 -4.277 -0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.176 -4.728 0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.778 -7.037 -0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.018 -6.053 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.158 -4.681 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.435 -7.691 -2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.700 -7.794 -2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.930 -4.821 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.288 -6.176 -1.541 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.836 -2.963 0.088 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.585 -2.155 -0.867 1.00 0.00 C ATOM 1418 C ALA A 94 -11.799 -1.966 -2.160 1.00 0.00 C ATOM 1419 O ALA A 94 -10.634 -2.351 -2.252 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.935 -0.806 -0.257 1.00 0.00 C ATOM 0 H ALA A 94 -11.353 -2.425 0.808 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.508 -2.682 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.494 -0.213 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.543 -0.957 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.019 -0.280 0.013 1.00 0.00 H new ATOM 1426 N SER A 95 -12.445 -1.370 -3.157 1.00 0.00 N ATOM 1427 CA SER A 95 -11.808 -1.133 -4.447 1.00 0.00 C ATOM 1428 C SER A 95 -12.508 -0.006 -5.200 1.00 0.00 C ATOM 1429 O SER A 95 -13.658 -0.142 -5.615 1.00 0.00 O ATOM 1430 CB SER A 95 -11.824 -2.410 -5.289 1.00 0.00 C ATOM 1431 OG SER A 95 -13.081 -3.059 -5.209 1.00 0.00 O ATOM 0 H SER A 95 -13.409 -1.042 -3.096 1.00 0.00 H new ATOM 0 HA SER A 95 -10.775 -0.838 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.603 -2.167 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.040 -3.085 -4.946 1.00 0.00 H new ATOM 0 HG SER A 95 -13.797 -2.397 -5.304 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.804 1.108 -5.372 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.356 2.259 -6.076 1.00 0.00 C ATOM 1439 C ALA A 96 -11.449 2.686 -7.226 1.00 0.00 C ATOM 1440 O ALA A 96 -10.225 2.679 -7.098 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.567 3.416 -5.111 1.00 0.00 C ATOM 0 H ALA A 96 -10.851 1.238 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.319 1.969 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.980 4.269 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.260 3.113 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.613 3.696 -4.665 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.058 3.055 -8.348 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.305 3.486 -9.519 1.00 0.00 C ATOM 1449 C ALA A 97 -10.629 4.831 -9.274 1.00 0.00 C ATOM 1450 O ALA A 97 -11.263 5.883 -9.372 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.219 3.566 -10.733 1.00 0.00 C ATOM 0 H ALA A 97 -13.071 3.064 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.526 2.748 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.644 3.889 -11.601 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.651 2.584 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.018 4.282 -10.540 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.341 4.790 -8.953 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.579 6.006 -8.692 1.00 0.00 C ATOM 1459 C LEU A 98 -8.001 6.575 -9.985 1.00 0.00 C ATOM 1460 O LEU A 98 -6.897 6.215 -10.394 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.451 5.722 -7.699 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.369 6.796 -7.586 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.997 8.171 -7.416 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.432 6.490 -6.427 1.00 0.00 C ATOM 0 H LEU A 98 -8.802 3.928 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.256 6.744 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.891 5.573 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.974 4.783 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.787 6.796 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.211 8.923 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.626 8.393 -8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.604 8.184 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.668 7.265 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.000 6.462 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.955 5.524 -6.590 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.755 7.465 -10.622 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.317 8.084 -11.868 1.00 0.00 C ATOM 1478 C ARG A 99 -7.607 9.407 -11.597 1.00 0.00 C ATOM 1479 O ARG A 99 -8.037 10.194 -10.754 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.512 8.315 -12.794 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.159 7.030 -13.286 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.369 7.315 -14.162 1.00 0.00 C ATOM 1483 NE ARG A 99 -11.713 6.175 -15.008 1.00 0.00 N ATOM 1484 CZ ARG A 99 -12.872 6.057 -15.646 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.793 7.005 -15.535 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -13.112 4.990 -16.397 1.00 0.00 N ATOM 0 H ARG A 99 -9.671 7.773 -10.297 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.614 7.407 -12.354 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.259 8.910 -12.268 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.187 8.900 -13.654 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.430 6.447 -13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.461 6.424 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.221 7.569 -13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.166 8.183 -14.789 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.026 5.429 -15.115 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.612 7.827 -14.959 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.682 6.912 -16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.406 4.259 -16.485 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.002 4.901 -16.886 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.516 9.645 -12.318 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.745 10.872 -12.157 1.00 0.00 C ATOM 1502 C VAL A 100 -5.161 11.334 -13.487 1.00 0.00 C ATOM 1503 O VAL A 100 -4.126 10.836 -13.930 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.601 10.687 -11.143 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.758 11.950 -11.052 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.154 10.306 -9.778 1.00 0.00 C ATOM 0 H VAL A 100 -6.146 9.004 -13.020 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.433 11.630 -11.783 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.961 9.876 -11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.955 11.800 -10.331 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.331 12.174 -12.030 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.384 12.783 -10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.331 10.179 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.818 11.093 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.710 9.372 -9.858 1.00 0.00 H new ATOM 1516 N THR A 101 -5.833 12.290 -14.122 1.00 0.00 N ATOM 1517 CA THR A 101 -5.381 12.819 -15.403 1.00 0.00 C ATOM 1518 C THR A 101 -4.294 13.870 -15.211 1.00 0.00 C ATOM 1519 O THR A 101 -3.885 14.154 -14.086 1.00 0.00 O ATOM 1520 CB THR A 101 -6.547 13.440 -16.196 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.942 14.679 -15.596 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.735 12.492 -16.244 1.00 0.00 C ATOM 0 H THR A 101 -6.692 12.713 -13.770 1.00 0.00 H new ATOM 0 HA THR A 101 -4.974 11.979 -15.967 1.00 0.00 H new ATOM 0 HB THR A 101 -6.208 13.622 -17.216 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.682 15.068 -16.107 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.545 12.953 -16.809 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.439 11.561 -16.728 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.074 12.282 -15.230 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.832 14.445 -16.317 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.792 15.466 -16.269 1.00 0.00 C ATOM 1532 C GLU A 102 -3.273 16.698 -15.508 1.00 0.00 C ATOM 1533 O GLU A 102 -4.455 16.820 -15.183 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.367 15.861 -17.685 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.225 15.022 -18.234 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.266 14.899 -19.745 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -2.211 14.270 -20.264 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.352 15.433 -20.407 1.00 0.00 O ATOM 0 H GLU A 102 -4.161 14.221 -17.256 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.933 15.048 -15.743 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.225 15.772 -18.351 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.070 16.910 -17.687 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.276 15.467 -17.935 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.264 14.027 -17.791 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.350 17.611 -15.227 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.677 18.835 -14.505 1.00 0.00 C ATOM 1547 C LYS A 103 -1.973 20.037 -15.126 1.00 0.00 C ATOM 1548 O LYS A 103 -0.975 19.905 -15.835 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.284 18.704 -13.032 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.916 19.283 -12.714 1.00 0.00 C ATOM 1551 CD LYS A 103 0.198 18.441 -13.313 1.00 0.00 C ATOM 1552 CE LYS A 103 1.338 19.309 -13.825 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.566 18.510 -14.092 1.00 0.00 N ATOM 0 H LYS A 103 -1.368 17.526 -15.489 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.754 18.991 -14.574 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.033 19.205 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.297 17.650 -12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.852 20.301 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.787 19.343 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.576 17.748 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.199 17.839 -14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.027 19.814 -14.740 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.561 20.085 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.320 19.137 -14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.877 18.048 -13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.360 17.786 -14.810 1.00 0.00 H new