USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 68 GLN : amide:sc= -0.499 K(o=-0.14,f=-1.5) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -153:sc= 0.355 (180deg=0) USER MOD Set 2.1: A 50 THR OG1 : rot 107:sc= 0.897 USER MOD Set 2.2: A 66 THR OG1 : rot -53:sc= 0.0644 USER MOD Set 2.3: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -15.2! C(o=-15!,f=-27!) USER MOD Single : A 17 ASN : amide:sc= -3.28! C(o=-3.3!,f=-12!) USER MOD Single : A 18 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.36) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 154:sc= -0.051 USER MOD Single : A 32 MET CE :methyl -101:sc= -1.94 (180deg=-2.25) USER MOD Single : A 37 TYR OH : rot -115:sc= -2.09! USER MOD Single : A 40 ASN : amide:sc= -0.0765 K(o=-0.076,f=-10!) USER MOD Single : A 44 SER OG : rot 15:sc= -5.67! USER MOD Single : A 46 ASN : amide:sc= -1.86 K(o=-1.9,f=-3.7!) USER MOD Single : A 47 ASN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 54 GLN : amide:sc= -1.46 K(o=-1.5,f=-9.5!) USER MOD Single : A 56 ASN : amide:sc= -0.304 K(o=-0.3,f=-3.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00619 USER MOD Single : A 72 SER OG : rot 137:sc= -0.216 USER MOD Single : A 74 ASN : amide:sc= -0.157 X(o=-0.16,f=0.22) USER MOD Single : A 77 HIS : no HD1:sc= -7.02! C(o=-7!,f=-13!) USER MOD Single : A 79 HIS : no HE2:sc= -16.9! C(o=-17!,f=-18!) USER MOD Single : A 83 SER OG : rot 180:sc= -6.86! USER MOD ----------------------------------------------------------------- ATOM 186 N LEU A 13 -4.520 -1.579 7.112 1.00 0.00 N ATOM 187 CA LEU A 13 -3.769 -1.860 5.905 1.00 0.00 C ATOM 188 C LEU A 13 -2.304 -2.084 6.248 1.00 0.00 C ATOM 189 O LEU A 13 -1.728 -1.340 7.040 1.00 0.00 O ATOM 190 CB LEU A 13 -3.924 -0.697 4.929 1.00 0.00 C ATOM 191 CG LEU A 13 -2.706 -0.637 4.012 1.00 0.00 C ATOM 192 CD1 LEU A 13 -2.927 -1.552 2.811 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.502 0.796 3.529 1.00 0.00 C ATOM 0 HA LEU A 13 -4.153 -2.766 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.831 -0.822 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.027 0.240 5.476 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.823 -0.965 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.057 -1.509 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.072 -2.576 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.811 -1.225 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.632 0.839 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.385 1.124 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.343 1.450 4.387 1.00 0.00 H new ATOM 205 N GLU A 14 -1.699 -3.113 5.650 1.00 0.00 N ATOM 206 CA GLU A 14 -0.305 -3.425 5.895 1.00 0.00 C ATOM 207 C GLU A 14 0.361 -3.879 4.604 1.00 0.00 C ATOM 208 O GLU A 14 -0.048 -4.872 4.007 1.00 0.00 O ATOM 209 CB GLU A 14 -0.209 -4.511 6.963 1.00 0.00 C ATOM 210 CG GLU A 14 -1.231 -4.235 8.062 1.00 0.00 C ATOM 211 CD GLU A 14 -1.341 -5.419 9.012 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.326 -6.137 9.143 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.438 -5.585 9.589 1.00 0.00 O ATOM 0 H GLU A 14 -2.161 -3.741 4.992 1.00 0.00 H new ATOM 0 HA GLU A 14 0.212 -2.534 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.392 -5.490 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.796 -4.534 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.941 -3.343 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.204 -4.030 7.616 1.00 0.00 H new ATOM 220 N ILE A 15 1.392 -3.147 4.174 1.00 0.00 N ATOM 221 CA ILE A 15 2.112 -3.475 2.960 1.00 0.00 C ATOM 222 C ILE A 15 3.486 -4.029 3.310 1.00 0.00 C ATOM 223 O ILE A 15 4.275 -3.361 3.975 1.00 0.00 O ATOM 224 CB ILE A 15 2.236 -2.228 2.090 1.00 0.00 C ATOM 225 CG1 ILE A 15 0.851 -1.631 1.854 1.00 0.00 C ATOM 226 CG2 ILE A 15 2.863 -2.603 0.750 1.00 0.00 C ATOM 227 CD1 ILE A 15 0.983 -0.140 1.557 1.00 0.00 C ATOM 0 H ILE A 15 1.742 -2.320 4.658 1.00 0.00 H new ATOM 0 HA ILE A 15 1.566 -4.237 2.403 1.00 0.00 H new ATOM 0 HB ILE A 15 2.866 -1.495 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.363 -2.137 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.223 -1.784 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.952 -1.712 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.852 -3.029 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.233 -3.336 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.006 0.286 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.454 0.359 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.595 0.001 0.666 1.00 0.00 H new ATOM 239 N HIS A 16 3.771 -5.253 2.860 1.00 0.00 N ATOM 240 CA HIS A 16 5.045 -5.890 3.128 1.00 0.00 C ATOM 241 C HIS A 16 5.770 -6.163 1.817 1.00 0.00 C ATOM 242 O HIS A 16 5.444 -7.115 1.113 1.00 0.00 O ATOM 243 CB HIS A 16 4.813 -7.187 3.897 1.00 0.00 C ATOM 244 CG HIS A 16 3.985 -8.178 3.127 1.00 0.00 C ATOM 245 ND1 HIS A 16 4.469 -9.265 2.424 1.00 0.00 N ATOM 246 CD2 HIS A 16 2.624 -8.160 3.002 1.00 0.00 C ATOM 247 CE1 HIS A 16 3.414 -9.898 1.879 1.00 0.00 C ATOM 248 NE2 HIS A 16 2.285 -9.244 2.217 1.00 0.00 N ATOM 0 H HIS A 16 3.127 -5.818 2.306 1.00 0.00 H new ATOM 0 HA HIS A 16 5.666 -5.230 3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.775 -7.636 4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.317 -6.961 4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.946 -7.438 3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.464 -10.788 1.269 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.339 -9.506 1.939 1.00 0.00 H new ATOM 257 N ASN A 17 6.756 -5.324 1.492 1.00 0.00 N ATOM 258 CA ASN A 17 7.520 -5.481 0.271 1.00 0.00 C ATOM 259 C ASN A 17 8.876 -6.098 0.583 1.00 0.00 C ATOM 260 O ASN A 17 9.122 -6.526 1.708 1.00 0.00 O ATOM 261 CB ASN A 17 7.687 -4.122 -0.402 1.00 0.00 C ATOM 262 CG ASN A 17 8.183 -3.081 0.591 1.00 0.00 C ATOM 263 OD1 ASN A 17 8.104 -3.288 1.800 1.00 0.00 O ATOM 264 ND2 ASN A 17 8.697 -1.961 0.079 1.00 0.00 N ATOM 0 H ASN A 17 7.038 -4.529 2.065 1.00 0.00 H new ATOM 0 HA ASN A 17 6.989 -6.147 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.392 -4.206 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.735 -3.802 -0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.046 -1.230 0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.741 -1.836 -0.932 1.00 0.00 H new ATOM 271 N ASN A 18 9.758 -6.142 -0.419 1.00 0.00 N ATOM 272 CA ASN A 18 11.082 -6.704 -0.245 1.00 0.00 C ATOM 273 C ASN A 18 10.976 -8.128 0.283 1.00 0.00 C ATOM 274 O ASN A 18 11.855 -8.591 1.008 1.00 0.00 O ATOM 275 CB ASN A 18 11.883 -5.829 0.715 1.00 0.00 C ATOM 276 CG ASN A 18 12.598 -4.715 -0.034 1.00 0.00 C ATOM 277 OD1 ASN A 18 13.285 -4.969 -1.021 1.00 0.00 O ATOM 278 ND2 ASN A 18 12.435 -3.476 0.436 1.00 0.00 N ATOM 0 H ASN A 18 9.570 -5.792 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 18 11.597 -6.733 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.217 -5.400 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.611 -6.440 1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.891 -2.690 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.855 -3.315 1.259 1.00 0.00 H new ATOM 285 N GLU A 19 9.896 -8.823 -0.081 1.00 0.00 N ATOM 286 CA GLU A 19 9.685 -10.188 0.357 1.00 0.00 C ATOM 287 C GLU A 19 9.517 -10.228 1.870 1.00 0.00 C ATOM 288 O GLU A 19 10.420 -10.656 2.586 1.00 0.00 O ATOM 289 CB GLU A 19 10.866 -11.049 -0.079 1.00 0.00 C ATOM 290 CG GLU A 19 10.885 -11.154 -1.601 1.00 0.00 C ATOM 291 CD GLU A 19 12.027 -12.045 -2.070 1.00 0.00 C ATOM 292 OE1 GLU A 19 13.180 -11.567 -2.011 1.00 0.00 O ATOM 293 OE2 GLU A 19 11.725 -13.187 -2.478 1.00 0.00 O ATOM 0 H GLU A 19 9.157 -8.454 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 19 8.776 -10.582 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.799 -10.613 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.789 -12.042 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.936 -11.557 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.991 -10.161 -2.037 1.00 0.00 H new ATOM 300 N GLY A 20 8.357 -9.780 2.356 1.00 0.00 N ATOM 301 CA GLY A 20 8.082 -9.769 3.779 1.00 0.00 C ATOM 302 C GLY A 20 9.317 -9.328 4.552 1.00 0.00 C ATOM 303 O GLY A 20 9.634 -9.893 5.596 1.00 0.00 O ATOM 0 H GLY A 20 7.598 -9.421 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.252 -9.095 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.776 -10.763 4.105 1.00 0.00 H new ATOM 307 N ARG A 21 10.016 -8.315 4.034 1.00 0.00 N ATOM 308 CA ARG A 21 11.211 -7.804 4.674 1.00 0.00 C ATOM 309 C ARG A 21 10.863 -6.588 5.521 1.00 0.00 C ATOM 310 O ARG A 21 11.234 -6.517 6.690 1.00 0.00 O ATOM 311 CB ARG A 21 12.243 -7.444 3.609 1.00 0.00 C ATOM 312 CG ARG A 21 13.531 -6.982 4.285 1.00 0.00 C ATOM 313 CD ARG A 21 14.003 -5.680 3.644 1.00 0.00 C ATOM 314 NE ARG A 21 15.451 -5.521 3.784 1.00 0.00 N ATOM 315 CZ ARG A 21 16.147 -4.593 3.113 1.00 0.00 C ATOM 316 NH1 ARG A 21 15.518 -3.762 2.271 1.00 0.00 N ATOM 317 NH2 ARG A 21 17.473 -4.497 3.282 1.00 0.00 N ATOM 0 H ARG A 21 9.766 -7.837 3.169 1.00 0.00 H new ATOM 0 HA ARG A 21 11.633 -8.568 5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.442 -8.307 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.855 -6.656 2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.362 -6.834 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.301 -7.748 4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.733 -5.672 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.494 -4.836 4.110 1.00 0.00 H new ATOM 0 HE ARG A 21 15.952 -6.143 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.509 -3.836 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.048 -3.056 1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.953 -5.130 3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.002 -3.791 2.771 1.00 0.00 H new ATOM 331 N ASP A 22 10.148 -5.630 4.927 1.00 0.00 N ATOM 332 CA ASP A 22 9.755 -4.424 5.628 1.00 0.00 C ATOM 333 C ASP A 22 8.260 -4.195 5.461 1.00 0.00 C ATOM 334 O ASP A 22 7.787 -3.961 4.351 1.00 0.00 O ATOM 335 CB ASP A 22 10.548 -3.239 5.084 1.00 0.00 C ATOM 336 CG ASP A 22 12.025 -3.370 5.426 1.00 0.00 C ATOM 337 OD1 ASP A 22 12.315 -4.042 6.440 1.00 0.00 O ATOM 338 OD2 ASP A 22 12.837 -2.797 4.668 1.00 0.00 O ATOM 0 H ASP A 22 9.832 -5.675 3.958 1.00 0.00 H new ATOM 0 HA ASP A 22 9.970 -4.530 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.425 -3.180 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.155 -2.312 5.501 1.00 0.00 H new ATOM 343 N THR A 23 7.515 -4.264 6.566 1.00 0.00 N ATOM 344 CA THR A 23 6.080 -4.063 6.531 1.00 0.00 C ATOM 345 C THR A 23 5.741 -2.661 7.017 1.00 0.00 C ATOM 346 O THR A 23 6.479 -2.079 7.809 1.00 0.00 O ATOM 347 CB THR A 23 5.399 -5.116 7.401 1.00 0.00 C ATOM 348 OG1 THR A 23 5.773 -6.402 6.960 1.00 0.00 O ATOM 349 CG2 THR A 23 3.884 -4.963 7.293 1.00 0.00 C ATOM 0 H THR A 23 7.890 -4.458 7.494 1.00 0.00 H new ATOM 0 HA THR A 23 5.720 -4.167 5.507 1.00 0.00 H new ATOM 0 HB THR A 23 5.705 -4.983 8.439 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.338 -7.079 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.397 -5.715 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.594 -3.969 7.632 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.578 -5.096 6.255 1.00 0.00 H new ATOM 357 N LEU A 24 4.618 -2.119 6.540 1.00 0.00 N ATOM 358 CA LEU A 24 4.185 -0.791 6.927 1.00 0.00 C ATOM 359 C LEU A 24 2.684 -0.790 7.180 1.00 0.00 C ATOM 360 O LEU A 24 1.895 -0.924 6.248 1.00 0.00 O ATOM 361 CB LEU A 24 4.548 0.202 5.826 1.00 0.00 C ATOM 362 CG LEU A 24 5.904 -0.169 5.233 1.00 0.00 C ATOM 363 CD1 LEU A 24 5.728 -0.569 3.771 1.00 0.00 C ATOM 364 CD2 LEU A 24 6.844 1.029 5.324 1.00 0.00 C ATOM 0 H LEU A 24 3.995 -2.589 5.883 1.00 0.00 H new ATOM 0 HA LEU A 24 4.688 -0.494 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.784 0.194 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.580 1.214 6.230 1.00 0.00 H new ATOM 0 HG LEU A 24 6.327 -1.005 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.697 -0.834 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.057 -1.426 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.304 0.267 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.813 0.764 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.421 1.866 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.970 1.314 6.369 1.00 0.00 H new ATOM 376 N CYS A 25 2.292 -0.637 8.447 1.00 0.00 N ATOM 377 CA CYS A 25 0.891 -0.619 8.818 1.00 0.00 C ATOM 378 C CYS A 25 0.400 0.819 8.902 1.00 0.00 C ATOM 379 O CYS A 25 0.895 1.600 9.711 1.00 0.00 O ATOM 380 CB CYS A 25 0.710 -1.332 10.155 1.00 0.00 C ATOM 381 SG CYS A 25 1.761 -2.792 10.358 1.00 0.00 S ATOM 0 H CYS A 25 2.935 -0.524 9.231 1.00 0.00 H new ATOM 0 HA CYS A 25 0.303 -1.140 8.062 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.921 -0.630 10.961 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.333 -1.631 10.258 1.00 0.00 H new ATOM 0 HG CYS A 25 1.539 -3.328 11.521 1.00 0.00 H new ATOM 386 N PHE A 26 -0.578 1.168 8.062 1.00 0.00 N ATOM 387 CA PHE A 26 -1.128 2.509 8.048 1.00 0.00 C ATOM 388 C PHE A 26 -2.531 2.497 8.639 1.00 0.00 C ATOM 389 O PHE A 26 -3.223 1.483 8.582 1.00 0.00 O ATOM 390 CB PHE A 26 -1.149 3.034 6.616 1.00 0.00 C ATOM 391 CG PHE A 26 0.228 3.237 6.029 1.00 0.00 C ATOM 392 CD1 PHE A 26 0.973 4.373 6.367 1.00 0.00 C ATOM 393 CD2 PHE A 26 0.760 2.289 5.147 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.250 4.560 5.825 1.00 0.00 C ATOM 395 CE2 PHE A 26 2.037 2.476 4.605 1.00 0.00 C ATOM 396 CZ PHE A 26 2.781 3.612 4.943 1.00 0.00 C ATOM 0 H PHE A 26 -1.000 0.533 7.385 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.506 3.168 8.653 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.703 2.335 5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.689 3.981 6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.562 5.105 7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.185 1.413 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.825 5.436 6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.448 1.744 3.926 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.765 3.757 4.523 1.00 0.00 H new ATOM 406 N ALA A 27 -2.950 3.630 9.208 1.00 0.00 N ATOM 407 CA ALA A 27 -4.264 3.744 9.807 1.00 0.00 C ATOM 408 C ALA A 27 -4.844 5.122 9.517 1.00 0.00 C ATOM 409 O ALA A 27 -4.168 5.975 8.948 1.00 0.00 O ATOM 410 CB ALA A 27 -4.161 3.507 11.310 1.00 0.00 C ATOM 0 H ALA A 27 -2.389 4.480 9.262 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.929 2.993 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.150 3.593 11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.764 2.509 11.495 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.496 4.250 11.751 1.00 0.00 H new ATOM 416 N ASN A 28 -6.102 5.337 9.910 1.00 0.00 N ATOM 417 CA ASN A 28 -6.763 6.607 9.691 1.00 0.00 C ATOM 418 C ASN A 28 -7.022 6.808 8.204 1.00 0.00 C ATOM 419 O ASN A 28 -6.207 6.418 7.371 1.00 0.00 O ATOM 420 CB ASN A 28 -5.894 7.733 10.244 1.00 0.00 C ATOM 421 CG ASN A 28 -5.997 7.803 11.761 1.00 0.00 C ATOM 422 OD1 ASN A 28 -6.965 8.339 12.296 1.00 0.00 O ATOM 423 ND2 ASN A 28 -4.995 7.257 12.455 1.00 0.00 N ATOM 0 H ASN A 28 -6.677 4.640 10.382 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.722 6.615 10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.856 7.573 9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.204 8.684 9.810 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.012 7.274 13.475 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.212 6.823 11.965 1.00 0.00 H new ATOM 430 N ALA A 29 -8.162 7.418 7.873 1.00 0.00 N ATOM 431 CA ALA A 29 -8.523 7.666 6.492 1.00 0.00 C ATOM 432 C ALA A 29 -7.519 8.620 5.860 1.00 0.00 C ATOM 433 O ALA A 29 -7.593 8.900 4.666 1.00 0.00 O ATOM 434 CB ALA A 29 -9.933 8.248 6.432 1.00 0.00 C ATOM 0 H ALA A 29 -8.848 7.747 8.552 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.506 6.730 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.206 8.435 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.637 7.541 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.964 9.184 6.989 1.00 0.00 H new ATOM 440 N GLY A 30 -6.577 9.119 6.664 1.00 0.00 N ATOM 441 CA GLY A 30 -5.568 10.036 6.176 1.00 0.00 C ATOM 442 C GLY A 30 -4.984 9.529 4.865 1.00 0.00 C ATOM 443 O GLY A 30 -5.048 8.337 4.574 1.00 0.00 O ATOM 0 H GLY A 30 -6.500 8.897 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.005 11.024 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.776 10.144 6.917 1.00 0.00 H new ATOM 447 N THR A 31 -4.413 10.439 4.071 1.00 0.00 N ATOM 448 CA THR A 31 -3.823 10.076 2.799 1.00 0.00 C ATOM 449 C THR A 31 -2.533 10.855 2.585 1.00 0.00 C ATOM 450 O THR A 31 -2.543 12.084 2.562 1.00 0.00 O ATOM 451 CB THR A 31 -4.819 10.361 1.678 1.00 0.00 C ATOM 452 OG1 THR A 31 -5.939 9.516 1.820 1.00 0.00 O ATOM 453 CG2 THR A 31 -4.154 10.102 0.329 1.00 0.00 C ATOM 0 H THR A 31 -4.352 11.432 4.296 1.00 0.00 H new ATOM 0 HA THR A 31 -3.585 9.012 2.795 1.00 0.00 H new ATOM 0 HB THR A 31 -5.139 11.402 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.722 9.939 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.865 10.305 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.287 10.754 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.834 9.061 0.275 1.00 0.00 H new ATOM 461 N MET A 32 -1.420 10.136 2.426 1.00 0.00 N ATOM 462 CA MET A 32 -0.130 10.763 2.217 1.00 0.00 C ATOM 463 C MET A 32 0.676 9.963 1.204 1.00 0.00 C ATOM 464 O MET A 32 0.416 8.781 0.993 1.00 0.00 O ATOM 465 CB MET A 32 0.612 10.854 3.547 1.00 0.00 C ATOM 466 CG MET A 32 1.123 9.471 3.940 1.00 0.00 C ATOM 467 SD MET A 32 2.111 9.457 5.456 1.00 0.00 S ATOM 468 CE MET A 32 2.283 7.668 5.673 1.00 0.00 C ATOM 0 H MET A 32 -1.395 9.116 2.439 1.00 0.00 H new ATOM 0 HA MET A 32 -0.271 11.770 1.824 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.446 11.551 3.464 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.052 11.242 4.320 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.271 8.803 4.067 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.723 9.071 3.123 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.578 7.324 6.430 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.076 7.165 4.728 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.299 7.436 5.992 1.00 0.00 H new ATOM 478 N PRO A 33 1.659 10.613 0.576 1.00 0.00 N ATOM 479 CA PRO A 33 2.529 10.016 -0.414 1.00 0.00 C ATOM 480 C PRO A 33 3.500 9.062 0.267 1.00 0.00 C ATOM 481 O PRO A 33 4.149 9.427 1.245 1.00 0.00 O ATOM 482 CB PRO A 33 3.271 11.193 -1.045 1.00 0.00 C ATOM 483 CG PRO A 33 3.335 12.204 0.099 1.00 0.00 C ATOM 484 CD PRO A 33 1.993 12.003 0.799 1.00 0.00 C ATOM 0 HA PRO A 33 1.986 9.438 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.265 10.907 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.738 11.592 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.174 12.007 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.452 13.224 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.066 12.226 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.230 12.663 0.387 1.00 0.00 H new ATOM 492 N VAL A 34 3.595 7.835 -0.251 1.00 0.00 N ATOM 493 CA VAL A 34 4.482 6.835 0.309 1.00 0.00 C ATOM 494 C VAL A 34 5.302 6.194 -0.801 1.00 0.00 C ATOM 495 O VAL A 34 4.939 6.281 -1.972 1.00 0.00 O ATOM 496 CB VAL A 34 3.660 5.785 1.050 1.00 0.00 C ATOM 497 CG1 VAL A 34 2.664 6.478 1.976 1.00 0.00 C ATOM 498 CG2 VAL A 34 2.903 4.926 0.040 1.00 0.00 C ATOM 0 H VAL A 34 3.062 7.518 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 34 5.167 7.305 1.015 1.00 0.00 H new ATOM 0 HB VAL A 34 4.324 5.153 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.077 5.728 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.204 7.092 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.999 7.110 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.315 4.175 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.239 5.558 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.614 4.431 -0.621 1.00 0.00 H new ATOM 508 N ALA A 35 6.411 5.549 -0.430 1.00 0.00 N ATOM 509 CA ALA A 35 7.275 4.899 -1.394 1.00 0.00 C ATOM 510 C ALA A 35 7.545 3.465 -0.960 1.00 0.00 C ATOM 511 O ALA A 35 8.229 3.234 0.035 1.00 0.00 O ATOM 512 CB ALA A 35 8.579 5.681 -1.516 1.00 0.00 C ATOM 0 H ALA A 35 6.725 5.468 0.537 1.00 0.00 H new ATOM 0 HA ALA A 35 6.787 4.877 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.230 5.192 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.364 6.697 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.076 5.713 -0.546 1.00 0.00 H new ATOM 518 N ILE A 36 7.005 2.501 -1.709 1.00 0.00 N ATOM 519 CA ILE A 36 7.189 1.097 -1.401 1.00 0.00 C ATOM 520 C ILE A 36 7.618 0.347 -2.654 1.00 0.00 C ATOM 521 O ILE A 36 6.833 0.192 -3.586 1.00 0.00 O ATOM 522 CB ILE A 36 5.888 0.524 -0.845 1.00 0.00 C ATOM 523 CG1 ILE A 36 5.684 1.018 0.584 1.00 0.00 C ATOM 524 CG2 ILE A 36 5.961 -1.001 -0.851 1.00 0.00 C ATOM 525 CD1 ILE A 36 4.270 1.574 0.732 1.00 0.00 C ATOM 0 H ILE A 36 6.435 2.677 -2.536 1.00 0.00 H new ATOM 0 HA ILE A 36 7.970 0.984 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 36 5.053 0.851 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.841 0.201 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.417 1.789 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.032 -1.411 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.107 -1.354 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.796 -1.328 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.123 1.927 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.130 2.402 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.546 0.790 0.512 1.00 0.00 H new ATOM 537 N TYR A 37 8.869 -0.119 -2.674 1.00 0.00 N ATOM 538 CA TYR A 37 9.393 -0.847 -3.812 1.00 0.00 C ATOM 539 C TYR A 37 9.398 -2.340 -3.513 1.00 0.00 C ATOM 540 O TYR A 37 9.755 -2.753 -2.412 1.00 0.00 O ATOM 541 CB TYR A 37 10.803 -0.354 -4.124 1.00 0.00 C ATOM 542 CG TYR A 37 10.861 1.108 -4.500 1.00 0.00 C ATOM 543 CD1 TYR A 37 10.920 2.085 -3.499 1.00 0.00 C ATOM 544 CD2 TYR A 37 10.856 1.485 -5.848 1.00 0.00 C ATOM 545 CE1 TYR A 37 10.974 3.440 -3.847 1.00 0.00 C ATOM 546 CE2 TYR A 37 10.910 2.840 -6.196 1.00 0.00 C ATOM 547 CZ TYR A 37 10.969 3.818 -5.195 1.00 0.00 C ATOM 548 OH TYR A 37 11.022 5.138 -5.534 1.00 0.00 O ATOM 0 H TYR A 37 9.533 -0.000 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 37 8.760 -0.673 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.439 -0.523 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.214 -0.948 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.924 1.794 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.810 0.731 -6.620 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.020 4.194 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.906 3.131 -7.236 1.00 0.00 H new ATOM 0 HH TYR A 37 10.190 5.394 -5.985 1.00 0.00 H new ATOM 558 N GLY A 38 9.000 -3.150 -4.496 1.00 0.00 N ATOM 559 CA GLY A 38 8.963 -4.589 -4.328 1.00 0.00 C ATOM 560 C GLY A 38 7.760 -4.991 -3.486 1.00 0.00 C ATOM 561 O GLY A 38 7.917 -5.501 -2.379 1.00 0.00 O ATOM 0 H GLY A 38 8.700 -2.825 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.912 -5.075 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.881 -4.930 -3.849 1.00 0.00 H new ATOM 565 N VAL A 39 6.556 -4.758 -4.014 1.00 0.00 N ATOM 566 CA VAL A 39 5.335 -5.095 -3.312 1.00 0.00 C ATOM 567 C VAL A 39 5.028 -6.574 -3.492 1.00 0.00 C ATOM 568 O VAL A 39 4.880 -7.047 -4.617 1.00 0.00 O ATOM 569 CB VAL A 39 4.190 -4.236 -3.843 1.00 0.00 C ATOM 570 CG1 VAL A 39 2.923 -4.527 -3.044 1.00 0.00 C ATOM 571 CG2 VAL A 39 4.554 -2.761 -3.702 1.00 0.00 C ATOM 0 H VAL A 39 6.410 -4.335 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 39 5.457 -4.897 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 39 4.018 -4.469 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.105 -3.914 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.663 -5.581 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.094 -4.294 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.737 -2.147 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.726 -2.528 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.459 -2.553 -4.273 1.00 0.00 H new ATOM 581 N ASN A 40 4.932 -7.306 -2.380 1.00 0.00 N ATOM 582 CA ASN A 40 4.643 -8.726 -2.423 1.00 0.00 C ATOM 583 C ASN A 40 3.184 -8.969 -2.064 1.00 0.00 C ATOM 584 O ASN A 40 2.503 -9.752 -2.723 1.00 0.00 O ATOM 585 CB ASN A 40 5.567 -9.461 -1.456 1.00 0.00 C ATOM 586 CG ASN A 40 7.025 -9.118 -1.731 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.580 -8.215 -1.108 1.00 0.00 O ATOM 588 ND2 ASN A 40 7.645 -9.842 -2.665 1.00 0.00 N ATOM 0 H ASN A 40 5.052 -6.930 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 40 4.815 -9.105 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.314 -9.193 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.418 -10.537 -1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.623 -9.656 -2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.141 -10.581 -3.155 1.00 0.00 H new ATOM 595 N TRP A 41 2.705 -8.296 -1.016 1.00 0.00 N ATOM 596 CA TRP A 41 1.330 -8.443 -0.581 1.00 0.00 C ATOM 597 C TRP A 41 0.941 -7.274 0.312 1.00 0.00 C ATOM 598 O TRP A 41 1.795 -6.677 0.965 1.00 0.00 O ATOM 599 CB TRP A 41 1.172 -9.767 0.161 1.00 0.00 C ATOM 600 CG TRP A 41 -0.113 -9.920 0.909 1.00 0.00 C ATOM 601 CD1 TRP A 41 -0.578 -9.064 1.844 1.00 0.00 C ATOM 602 CD2 TRP A 41 -1.113 -10.979 0.806 1.00 0.00 C ATOM 603 NE1 TRP A 41 -1.789 -9.517 2.324 1.00 0.00 N ATOM 604 CE2 TRP A 41 -2.166 -10.698 1.717 1.00 0.00 C ATOM 605 CE3 TRP A 41 -1.237 -12.150 0.037 1.00 0.00 C ATOM 606 CZ2 TRP A 41 -3.281 -11.529 1.858 1.00 0.00 C ATOM 607 CZ3 TRP A 41 -2.351 -12.991 0.170 1.00 0.00 C ATOM 608 CH2 TRP A 41 -3.372 -12.685 1.077 1.00 0.00 C ATOM 0 H TRP A 41 3.256 -7.645 -0.457 1.00 0.00 H new ATOM 0 HA TRP A 41 0.669 -8.445 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.256 -10.582 -0.558 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.999 -9.874 0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.078 -8.163 2.167 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.338 -9.039 3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.460 -12.406 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.062 -11.281 2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.422 -13.884 -0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.226 -13.339 1.173 1.00 0.00 H new ATOM 619 N VAL A 42 -0.353 -6.948 0.340 1.00 0.00 N ATOM 620 CA VAL A 42 -0.849 -5.855 1.152 1.00 0.00 C ATOM 621 C VAL A 42 -2.095 -6.297 1.906 1.00 0.00 C ATOM 622 O VAL A 42 -2.899 -7.066 1.383 1.00 0.00 O ATOM 623 CB VAL A 42 -1.155 -4.657 0.257 1.00 0.00 C ATOM 624 CG1 VAL A 42 -2.123 -3.720 0.974 1.00 0.00 C ATOM 625 CG2 VAL A 42 0.140 -3.911 -0.053 1.00 0.00 C ATOM 0 H VAL A 42 -1.073 -7.433 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.092 -5.564 1.880 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.607 -5.003 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.342 -2.864 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.048 -4.253 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.672 -3.373 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.077 -3.055 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.592 -3.564 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.832 -4.580 -0.565 1.00 0.00 H new ATOM 635 N GLU A 43 -2.255 -5.809 3.138 1.00 0.00 N ATOM 636 CA GLU A 43 -3.402 -6.156 3.952 1.00 0.00 C ATOM 637 C GLU A 43 -4.379 -4.990 3.999 1.00 0.00 C ATOM 638 O GLU A 43 -3.991 -3.843 3.787 1.00 0.00 O ATOM 639 CB GLU A 43 -2.933 -6.526 5.357 1.00 0.00 C ATOM 640 CG GLU A 43 -2.419 -7.962 5.360 1.00 0.00 C ATOM 641 CD GLU A 43 -2.323 -8.502 6.780 1.00 0.00 C ATOM 642 OE1 GLU A 43 -1.337 -8.141 7.458 1.00 0.00 O ATOM 643 OE2 GLU A 43 -3.237 -9.264 7.161 1.00 0.00 O ATOM 0 H GLU A 43 -1.598 -5.171 3.587 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.915 -7.013 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.145 -5.846 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.755 -6.421 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.086 -8.592 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.439 -8.003 4.884 1.00 0.00 H new ATOM 650 N SER A 44 -5.650 -5.285 4.279 1.00 0.00 N ATOM 651 CA SER A 44 -6.673 -4.262 4.354 1.00 0.00 C ATOM 652 C SER A 44 -7.828 -4.748 5.218 1.00 0.00 C ATOM 653 O SER A 44 -8.826 -5.247 4.701 1.00 0.00 O ATOM 654 CB SER A 44 -7.156 -3.922 2.947 1.00 0.00 C ATOM 655 OG SER A 44 -6.185 -3.134 2.295 1.00 0.00 O ATOM 0 H SER A 44 -5.988 -6.231 4.457 1.00 0.00 H new ATOM 0 HA SER A 44 -6.259 -3.362 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.337 -4.836 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.103 -3.385 2.996 1.00 0.00 H new ATOM 0 HG SER A 44 -5.339 -3.185 2.786 1.00 0.00 H new ATOM 661 N GLY A 45 -7.693 -4.601 6.538 1.00 0.00 N ATOM 662 CA GLY A 45 -8.727 -5.026 7.460 1.00 0.00 C ATOM 663 C GLY A 45 -10.091 -4.553 6.978 1.00 0.00 C ATOM 664 O GLY A 45 -10.240 -4.148 5.828 1.00 0.00 O ATOM 0 H GLY A 45 -6.873 -4.189 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.721 -6.112 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.525 -4.625 8.453 1.00 0.00 H new ATOM 668 N ASN A 46 -11.089 -4.605 7.863 1.00 0.00 N ATOM 669 CA ASN A 46 -12.433 -4.182 7.524 1.00 0.00 C ATOM 670 C ASN A 46 -12.449 -2.688 7.234 1.00 0.00 C ATOM 671 O ASN A 46 -13.193 -1.938 7.863 1.00 0.00 O ATOM 672 CB ASN A 46 -13.377 -4.519 8.674 1.00 0.00 C ATOM 673 CG ASN A 46 -14.827 -4.285 8.274 1.00 0.00 C ATOM 674 OD1 ASN A 46 -15.122 -3.366 7.513 1.00 0.00 O ATOM 675 ND2 ASN A 46 -15.732 -5.122 8.787 1.00 0.00 N ATOM 0 H ASN A 46 -10.982 -4.938 8.821 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.767 -4.708 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.240 -5.559 8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.132 -3.907 9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.718 -5.014 8.551 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.437 -5.870 9.415 1.00 0.00 H new ATOM 682 N ASN A 47 -11.625 -2.255 6.277 1.00 0.00 N ATOM 683 CA ASN A 47 -11.550 -0.856 5.909 1.00 0.00 C ATOM 684 C ASN A 47 -11.129 -0.723 4.453 1.00 0.00 C ATOM 685 O ASN A 47 -10.329 -1.516 3.960 1.00 0.00 O ATOM 686 CB ASN A 47 -10.559 -0.143 6.825 1.00 0.00 C ATOM 687 CG ASN A 47 -9.340 -1.016 7.090 1.00 0.00 C ATOM 688 OD1 ASN A 47 -9.211 -1.593 8.168 1.00 0.00 O ATOM 689 ND2 ASN A 47 -8.447 -1.113 6.103 1.00 0.00 N ATOM 0 H ASN A 47 -11.001 -2.863 5.746 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.531 -0.395 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.246 0.796 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.044 0.107 7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.612 -1.686 6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.600 -0.614 5.226 1.00 0.00 H new ATOM 696 N VAL A 48 -11.672 0.283 3.763 1.00 0.00 N ATOM 697 CA VAL A 48 -11.351 0.515 2.369 1.00 0.00 C ATOM 698 C VAL A 48 -10.171 1.470 2.264 1.00 0.00 C ATOM 699 O VAL A 48 -10.234 2.595 2.755 1.00 0.00 O ATOM 700 CB VAL A 48 -12.573 1.085 1.655 1.00 0.00 C ATOM 701 CG1 VAL A 48 -12.326 1.092 0.149 1.00 0.00 C ATOM 702 CG2 VAL A 48 -13.793 0.222 1.966 1.00 0.00 C ATOM 0 H VAL A 48 -12.338 0.948 4.157 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.075 -0.426 1.894 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.751 2.104 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.199 1.499 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.455 1.708 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.147 0.073 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.666 0.629 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.615 -0.797 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.971 0.217 3.041 1.00 0.00 H new ATOM 712 N VAL A 49 -9.091 1.019 1.621 1.00 0.00 N ATOM 713 CA VAL A 49 -7.904 1.833 1.455 1.00 0.00 C ATOM 714 C VAL A 49 -7.386 1.703 0.029 1.00 0.00 C ATOM 715 O VAL A 49 -7.281 0.597 -0.496 1.00 0.00 O ATOM 716 CB VAL A 49 -6.842 1.394 2.459 1.00 0.00 C ATOM 717 CG1 VAL A 49 -5.490 1.973 2.055 1.00 0.00 C ATOM 718 CG2 VAL A 49 -7.218 1.899 3.849 1.00 0.00 C ATOM 0 H VAL A 49 -9.023 0.089 1.208 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.147 2.880 1.639 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.781 0.306 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.731 1.660 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.222 1.612 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.549 3.061 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.460 1.586 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.279 2.987 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.184 1.485 4.138 1.00 0.00 H new ATOM 728 N THR A 50 -7.061 2.837 -0.596 1.00 0.00 N ATOM 729 CA THR A 50 -6.556 2.839 -1.954 1.00 0.00 C ATOM 730 C THR A 50 -5.037 2.935 -1.943 1.00 0.00 C ATOM 731 O THR A 50 -4.469 3.741 -1.209 1.00 0.00 O ATOM 732 CB THR A 50 -7.166 4.009 -2.721 1.00 0.00 C ATOM 733 OG1 THR A 50 -8.434 3.638 -3.213 1.00 0.00 O ATOM 734 CG2 THR A 50 -6.256 4.382 -3.888 1.00 0.00 C ATOM 0 H THR A 50 -7.142 3.763 -0.175 1.00 0.00 H new ATOM 0 HA THR A 50 -6.836 1.910 -2.450 1.00 0.00 H new ATOM 0 HB THR A 50 -7.271 4.865 -2.055 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.132 4.082 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.691 5.218 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.276 4.669 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.150 3.526 -4.555 1.00 0.00 H new ATOM 742 N LEU A 51 -4.380 2.109 -2.760 1.00 0.00 N ATOM 743 CA LEU A 51 -2.933 2.104 -2.841 1.00 0.00 C ATOM 744 C LEU A 51 -2.489 2.666 -4.184 1.00 0.00 C ATOM 745 O LEU A 51 -2.925 2.195 -5.232 1.00 0.00 O ATOM 746 CB LEU A 51 -2.418 0.680 -2.655 1.00 0.00 C ATOM 747 CG LEU A 51 -2.399 0.336 -1.168 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.445 -0.830 -0.927 1.00 0.00 C ATOM 749 CD2 LEU A 51 -1.930 1.551 -0.371 1.00 0.00 C ATOM 0 H LEU A 51 -4.837 1.435 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.520 2.732 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.055 -0.022 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.416 0.587 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.402 0.056 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.431 -1.076 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.780 -1.697 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.441 -0.551 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.916 1.306 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.927 1.831 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.612 2.384 -0.542 1.00 0.00 H new ATOM 761 N GLN A 52 -1.617 3.677 -4.151 1.00 0.00 N ATOM 762 CA GLN A 52 -1.120 4.297 -5.363 1.00 0.00 C ATOM 763 C GLN A 52 0.355 3.969 -5.543 1.00 0.00 C ATOM 764 O GLN A 52 1.199 4.465 -4.800 1.00 0.00 O ATOM 765 CB GLN A 52 -1.333 5.806 -5.284 1.00 0.00 C ATOM 766 CG GLN A 52 -2.774 6.138 -5.662 1.00 0.00 C ATOM 767 CD GLN A 52 -2.834 7.394 -6.520 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.379 8.411 -6.098 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.273 7.319 -7.729 1.00 0.00 N ATOM 0 H GLN A 52 -1.245 4.079 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.665 3.910 -6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.119 6.162 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.643 6.317 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.214 5.301 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.368 6.281 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.832 6.451 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.285 8.130 -8.348 1.00 0.00 H new ATOM 778 N PHE A 53 0.665 3.131 -6.535 1.00 0.00 N ATOM 779 CA PHE A 53 2.035 2.744 -6.806 1.00 0.00 C ATOM 780 C PHE A 53 2.299 2.796 -8.304 1.00 0.00 C ATOM 781 O PHE A 53 1.374 2.682 -9.104 1.00 0.00 O ATOM 782 CB PHE A 53 2.283 1.340 -6.261 1.00 0.00 C ATOM 783 CG PHE A 53 1.410 0.284 -6.895 1.00 0.00 C ATOM 784 CD1 PHE A 53 0.140 0.018 -6.369 1.00 0.00 C ATOM 785 CD2 PHE A 53 1.871 -0.431 -8.007 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.669 -0.962 -6.955 1.00 0.00 C ATOM 787 CE2 PHE A 53 1.062 -1.411 -8.593 1.00 0.00 C ATOM 788 CZ PHE A 53 -0.208 -1.677 -8.068 1.00 0.00 C ATOM 0 H PHE A 53 -0.022 2.711 -7.161 1.00 0.00 H new ATOM 0 HA PHE A 53 2.717 3.437 -6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.329 1.078 -6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.113 1.342 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.215 0.569 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.851 -0.226 -8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.649 -1.167 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.418 -1.962 -9.451 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.832 -2.433 -8.521 1.00 0.00 H new ATOM 798 N GLN A 54 3.568 2.969 -8.683 1.00 0.00 N ATOM 799 CA GLN A 54 3.946 3.035 -10.080 1.00 0.00 C ATOM 800 C GLN A 54 4.522 1.698 -10.524 1.00 0.00 C ATOM 801 O GLN A 54 5.586 1.293 -10.060 1.00 0.00 O ATOM 802 CB GLN A 54 4.965 4.155 -10.276 1.00 0.00 C ATOM 803 CG GLN A 54 4.778 4.777 -11.657 1.00 0.00 C ATOM 804 CD GLN A 54 5.495 6.116 -11.751 1.00 0.00 C ATOM 805 OE1 GLN A 54 5.002 7.123 -11.247 1.00 0.00 O ATOM 806 NE2 GLN A 54 6.662 6.126 -12.399 1.00 0.00 N ATOM 0 H GLN A 54 4.347 3.065 -8.032 1.00 0.00 H new ATOM 0 HA GLN A 54 3.068 3.248 -10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.840 4.914 -9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.977 3.762 -10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.162 4.100 -12.420 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.715 4.914 -11.858 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.030 5.263 -12.800 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.186 6.996 -12.493 1.00 0.00 H new ATOM 815 N ARG A 55 3.816 1.012 -11.425 1.00 0.00 N ATOM 816 CA ARG A 55 4.258 -0.273 -11.926 1.00 0.00 C ATOM 817 C ARG A 55 5.712 -0.183 -12.367 1.00 0.00 C ATOM 818 O ARG A 55 6.561 -0.919 -11.868 1.00 0.00 O ATOM 819 CB ARG A 55 3.367 -0.699 -13.090 1.00 0.00 C ATOM 820 CG ARG A 55 3.218 -2.218 -13.087 1.00 0.00 C ATOM 821 CD ARG A 55 1.748 -2.586 -13.270 1.00 0.00 C ATOM 822 NE ARG A 55 1.318 -3.549 -12.257 1.00 0.00 N ATOM 823 CZ ARG A 55 1.647 -4.847 -12.304 1.00 0.00 C ATOM 824 NH1 ARG A 55 2.402 -5.311 -13.309 1.00 0.00 N ATOM 825 NH2 ARG A 55 1.221 -5.682 -11.346 1.00 0.00 N ATOM 0 H ARG A 55 2.932 1.335 -11.819 1.00 0.00 H new ATOM 0 HA ARG A 55 4.184 -1.020 -11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.388 -0.227 -13.005 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.800 -0.367 -14.034 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.815 -2.654 -13.888 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.593 -2.629 -12.150 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.134 -1.688 -13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.596 -3.006 -14.264 1.00 0.00 H new ATOM 0 HE ARG A 55 0.743 -3.219 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.726 -4.676 -14.038 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.652 -6.299 -13.345 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.646 -5.329 -10.581 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.472 -6.670 -11.382 1.00 0.00 H new ATOM 839 N ASN A 56 5.999 0.724 -13.304 1.00 0.00 N ATOM 840 CA ASN A 56 7.347 0.905 -13.804 1.00 0.00 C ATOM 841 C ASN A 56 7.853 2.294 -13.441 1.00 0.00 C ATOM 842 O ASN A 56 7.067 3.231 -13.318 1.00 0.00 O ATOM 843 CB ASN A 56 7.358 0.704 -15.316 1.00 0.00 C ATOM 844 CG ASN A 56 6.915 -0.706 -15.680 1.00 0.00 C ATOM 845 OD1 ASN A 56 6.735 -1.548 -14.803 1.00 0.00 O ATOM 846 ND2 ASN A 56 6.737 -0.961 -16.978 1.00 0.00 N ATOM 0 H ASN A 56 5.307 1.342 -13.727 1.00 0.00 H new ATOM 0 HA ASN A 56 8.009 0.170 -13.347 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.697 1.430 -15.788 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.360 0.886 -15.704 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.439 -1.889 -17.279 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.899 -0.228 -17.669 1.00 0.00 H new ATOM 853 N LEU A 57 9.170 2.425 -13.269 1.00 0.00 N ATOM 854 CA LEU A 57 9.774 3.695 -12.923 1.00 0.00 C ATOM 855 C LEU A 57 10.028 4.508 -14.185 1.00 0.00 C ATOM 856 O LEU A 57 9.499 5.607 -14.335 1.00 0.00 O ATOM 857 CB LEU A 57 11.077 3.449 -12.167 1.00 0.00 C ATOM 858 CG LEU A 57 11.661 4.784 -11.713 1.00 0.00 C ATOM 859 CD1 LEU A 57 10.528 5.759 -11.408 1.00 0.00 C ATOM 860 CD2 LEU A 57 12.501 4.571 -10.457 1.00 0.00 C ATOM 0 H LEU A 57 9.834 1.657 -13.366 1.00 0.00 H new ATOM 0 HA LEU A 57 9.098 4.260 -12.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.894 2.808 -11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.789 2.927 -12.807 1.00 0.00 H new ATOM 0 HG LEU A 57 12.288 5.193 -12.505 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.946 6.712 -11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.928 5.912 -12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.899 5.350 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.918 5.524 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.874 4.161 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.311 3.876 -10.675 1.00 0.00 H new ATOM 872 N SER A 58 10.841 3.964 -15.093 1.00 0.00 N ATOM 873 CA SER A 58 11.159 4.639 -16.335 1.00 0.00 C ATOM 874 C SER A 58 9.891 5.215 -16.949 1.00 0.00 C ATOM 875 O SER A 58 9.892 6.341 -17.441 1.00 0.00 O ATOM 876 CB SER A 58 11.825 3.655 -17.292 1.00 0.00 C ATOM 877 OG SER A 58 12.073 4.294 -18.525 1.00 0.00 O ATOM 0 H SER A 58 11.288 3.054 -14.983 1.00 0.00 H new ATOM 0 HA SER A 58 11.849 5.460 -16.141 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.759 3.291 -16.864 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.184 2.787 -17.443 1.00 0.00 H new ATOM 0 HG SER A 58 12.502 3.663 -19.140 1.00 0.00 H new ATOM 883 N ASP A 59 8.806 4.438 -16.919 1.00 0.00 N ATOM 884 CA ASP A 59 7.539 4.873 -17.472 1.00 0.00 C ATOM 885 C ASP A 59 6.580 5.227 -16.344 1.00 0.00 C ATOM 886 O ASP A 59 6.543 4.546 -15.322 1.00 0.00 O ATOM 887 CB ASP A 59 6.959 3.765 -18.346 1.00 0.00 C ATOM 888 CG ASP A 59 5.578 4.145 -18.861 1.00 0.00 C ATOM 889 OD1 ASP A 59 4.616 3.980 -18.081 1.00 0.00 O ATOM 890 OD2 ASP A 59 5.511 4.594 -20.026 1.00 0.00 O ATOM 0 H ASP A 59 8.788 3.502 -16.514 1.00 0.00 H new ATOM 0 HA ASP A 59 7.691 5.760 -18.087 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.625 3.574 -19.187 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.896 2.840 -17.773 1.00 0.00 H new ATOM 895 N PRO A 60 5.803 6.297 -16.532 1.00 0.00 N ATOM 896 CA PRO A 60 4.834 6.780 -15.572 1.00 0.00 C ATOM 897 C PRO A 60 3.643 5.834 -15.529 1.00 0.00 C ATOM 898 O PRO A 60 2.497 6.273 -15.597 1.00 0.00 O ATOM 899 CB PRO A 60 4.423 8.156 -16.091 1.00 0.00 C ATOM 900 CG PRO A 60 4.587 8.011 -17.603 1.00 0.00 C ATOM 901 CD PRO A 60 5.821 7.120 -17.722 1.00 0.00 C ATOM 0 HA PRO A 60 5.231 6.837 -14.559 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.397 8.401 -15.817 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.058 8.946 -15.689 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.711 7.554 -18.063 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.735 8.975 -18.089 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.782 6.510 -18.625 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.733 7.714 -17.778 1.00 0.00 H new ATOM 909 N ARG A 61 3.916 4.532 -15.418 1.00 0.00 N ATOM 910 CA ARG A 61 2.868 3.533 -15.370 1.00 0.00 C ATOM 911 C ARG A 61 2.193 3.558 -14.006 1.00 0.00 C ATOM 912 O ARG A 61 2.449 2.696 -13.168 1.00 0.00 O ATOM 913 CB ARG A 61 3.466 2.157 -15.651 1.00 0.00 C ATOM 914 CG ARG A 61 2.904 1.617 -16.964 1.00 0.00 C ATOM 915 CD ARG A 61 3.403 0.192 -17.182 1.00 0.00 C ATOM 916 NE ARG A 61 3.680 -0.057 -18.597 1.00 0.00 N ATOM 917 CZ ARG A 61 2.734 -0.438 -19.466 1.00 0.00 C ATOM 918 NH1 ARG A 61 1.471 -0.606 -19.050 1.00 0.00 N ATOM 919 NH2 ARG A 61 3.050 -0.652 -20.751 1.00 0.00 N ATOM 0 H ARG A 61 4.861 4.153 -15.360 1.00 0.00 H new ATOM 0 HA ARG A 61 2.117 3.752 -16.129 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.552 2.226 -15.709 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.233 1.474 -14.835 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.814 1.633 -16.939 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.213 2.253 -17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.307 0.026 -16.596 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.657 -0.517 -16.824 1.00 0.00 H new ATOM 0 HE ARG A 61 4.634 0.065 -18.936 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.230 -0.444 -18.072 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.751 -0.896 -19.711 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.011 -0.525 -21.068 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.329 -0.942 -21.412 1.00 0.00 H new ATOM 933 N LEU A 62 1.328 4.551 -13.784 1.00 0.00 N ATOM 934 CA LEU A 62 0.622 4.684 -12.526 1.00 0.00 C ATOM 935 C LEU A 62 -0.521 3.681 -12.467 1.00 0.00 C ATOM 936 O LEU A 62 -1.264 3.525 -13.434 1.00 0.00 O ATOM 937 CB LEU A 62 0.097 6.110 -12.385 1.00 0.00 C ATOM 938 CG LEU A 62 0.741 6.771 -11.170 1.00 0.00 C ATOM 939 CD1 LEU A 62 0.181 6.147 -9.895 1.00 0.00 C ATOM 940 CD2 LEU A 62 2.252 6.563 -11.218 1.00 0.00 C ATOM 0 H LEU A 62 1.105 5.274 -14.469 1.00 0.00 H new ATOM 0 HA LEU A 62 1.303 4.478 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.321 6.682 -13.285 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.987 6.101 -12.275 1.00 0.00 H new ATOM 0 HG LEU A 62 0.522 7.839 -11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.641 6.619 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.898 6.297 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.400 5.079 -9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.712 7.035 -10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.473 5.496 -11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.652 7.009 -12.128 1.00 0.00 H new ATOM 952 N GLU A 63 -0.662 2.999 -11.328 1.00 0.00 N ATOM 953 CA GLU A 63 -1.714 2.018 -11.152 1.00 0.00 C ATOM 954 C GLU A 63 -2.375 2.204 -9.793 1.00 0.00 C ATOM 955 O GLU A 63 -1.696 2.427 -8.794 1.00 0.00 O ATOM 956 CB GLU A 63 -1.126 0.616 -11.280 1.00 0.00 C ATOM 957 CG GLU A 63 -0.553 0.430 -12.682 1.00 0.00 C ATOM 958 CD GLU A 63 -1.548 0.885 -13.740 1.00 0.00 C ATOM 959 OE1 GLU A 63 -2.754 0.634 -13.530 1.00 0.00 O ATOM 960 OE2 GLU A 63 -1.083 1.476 -14.738 1.00 0.00 O ATOM 0 H GLU A 63 -0.055 3.115 -10.517 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.473 2.152 -11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.345 0.468 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.896 -0.132 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.372 0.998 -12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.302 -0.619 -12.840 1.00 0.00 H new ATOM 967 N THR A 64 -3.707 2.110 -9.758 1.00 0.00 N ATOM 968 CA THR A 64 -4.448 2.266 -8.523 1.00 0.00 C ATOM 969 C THR A 64 -5.107 0.948 -8.143 1.00 0.00 C ATOM 970 O THR A 64 -5.593 0.222 -9.007 1.00 0.00 O ATOM 971 CB THR A 64 -5.494 3.364 -8.694 1.00 0.00 C ATOM 972 OG1 THR A 64 -6.104 3.238 -9.960 1.00 0.00 O ATOM 973 CG2 THR A 64 -4.821 4.730 -8.588 1.00 0.00 C ATOM 0 H THR A 64 -4.287 1.926 -10.577 1.00 0.00 H new ATOM 0 HA THR A 64 -3.767 2.551 -7.721 1.00 0.00 H new ATOM 0 HB THR A 64 -6.250 3.270 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.777 3.942 -10.070 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.568 5.514 -8.710 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.349 4.828 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.065 4.825 -9.367 1.00 0.00 H new ATOM 981 N ILE A 65 -5.123 0.641 -6.844 1.00 0.00 N ATOM 982 CA ILE A 65 -5.723 -0.584 -6.353 1.00 0.00 C ATOM 983 C ILE A 65 -6.518 -0.297 -5.087 1.00 0.00 C ATOM 984 O ILE A 65 -5.994 0.290 -4.143 1.00 0.00 O ATOM 985 CB ILE A 65 -4.628 -1.613 -6.084 1.00 0.00 C ATOM 986 CG1 ILE A 65 -5.254 -2.997 -5.939 1.00 0.00 C ATOM 987 CG2 ILE A 65 -3.894 -1.249 -4.796 1.00 0.00 C ATOM 988 CD1 ILE A 65 -4.165 -4.017 -5.618 1.00 0.00 C ATOM 0 H ILE A 65 -4.723 1.233 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.405 -0.986 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.923 -1.619 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.003 -2.988 -5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.767 -3.274 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.112 -1.983 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.446 -0.261 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.599 -1.243 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.612 -5.006 -5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.432 -4.033 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.672 -3.742 -4.685 1.00 0.00 H new ATOM 1000 N THR A 66 -7.786 -0.713 -5.068 1.00 0.00 N ATOM 1001 CA THR A 66 -8.641 -0.497 -3.918 1.00 0.00 C ATOM 1002 C THR A 66 -8.798 -1.795 -3.139 1.00 0.00 C ATOM 1003 O THR A 66 -9.206 -2.812 -3.696 1.00 0.00 O ATOM 1004 CB THR A 66 -9.998 0.021 -4.385 1.00 0.00 C ATOM 1005 OG1 THR A 66 -9.846 1.313 -4.929 1.00 0.00 O ATOM 1006 CG2 THR A 66 -10.956 0.078 -3.198 1.00 0.00 C ATOM 0 H THR A 66 -8.236 -1.202 -5.842 1.00 0.00 H new ATOM 0 HA THR A 66 -8.190 0.245 -3.259 1.00 0.00 H new ATOM 0 HB THR A 66 -10.401 -0.648 -5.145 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.386 1.888 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.926 0.448 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.073 -0.921 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.554 0.747 -2.438 1.00 0.00 H new ATOM 1014 N LEU A 67 -8.473 -1.758 -1.844 1.00 0.00 N ATOM 1015 CA LEU A 67 -8.580 -2.927 -0.994 1.00 0.00 C ATOM 1016 C LEU A 67 -9.902 -2.899 -0.241 1.00 0.00 C ATOM 1017 O LEU A 67 -10.218 -1.918 0.427 1.00 0.00 O ATOM 1018 CB LEU A 67 -7.404 -2.957 -0.022 1.00 0.00 C ATOM 1019 CG LEU A 67 -6.099 -2.796 -0.796 1.00 0.00 C ATOM 1020 CD1 LEU A 67 -5.093 -2.029 0.057 1.00 0.00 C ATOM 1021 CD2 LEU A 67 -5.536 -4.174 -1.134 1.00 0.00 C ATOM 0 H LEU A 67 -8.133 -0.923 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.553 -3.829 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.505 -2.157 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.398 -3.897 0.530 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.287 -2.245 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.161 -1.914 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.496 -1.045 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.903 -2.579 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.604 -4.060 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.347 -4.726 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.255 -4.721 -1.744 1.00 0.00 H new ATOM 1033 N GLN A 68 -10.676 -3.982 -0.351 1.00 0.00 N ATOM 1034 CA GLN A 68 -11.958 -4.075 0.318 1.00 0.00 C ATOM 1035 C GLN A 68 -11.760 -4.551 1.750 1.00 0.00 C ATOM 1036 O GLN A 68 -10.632 -4.788 2.178 1.00 0.00 O ATOM 1037 CB GLN A 68 -12.862 -5.035 -0.450 1.00 0.00 C ATOM 1038 CG GLN A 68 -13.103 -4.492 -1.856 1.00 0.00 C ATOM 1039 CD GLN A 68 -14.122 -3.362 -1.833 1.00 0.00 C ATOM 1040 OE1 GLN A 68 -15.304 -3.583 -2.090 1.00 0.00 O ATOM 1041 NE2 GLN A 68 -13.662 -2.147 -1.525 1.00 0.00 N ATOM 0 H GLN A 68 -10.428 -4.804 -0.901 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.431 -3.093 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.401 -6.021 -0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.811 -5.155 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.164 -4.132 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.457 -5.294 -2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.672 -2.014 -1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.301 -1.352 -1.495 1.00 0.00 H new ATOM 1050 N LYS A 69 -12.861 -4.693 2.492 1.00 0.00 N ATOM 1051 CA LYS A 69 -12.801 -5.139 3.869 1.00 0.00 C ATOM 1052 C LYS A 69 -12.094 -6.486 3.947 1.00 0.00 C ATOM 1053 O LYS A 69 -12.453 -7.420 3.233 1.00 0.00 O ATOM 1054 CB LYS A 69 -14.215 -5.238 4.433 1.00 0.00 C ATOM 1055 CG LYS A 69 -15.006 -3.993 4.043 1.00 0.00 C ATOM 1056 CD LYS A 69 -16.014 -4.350 2.954 1.00 0.00 C ATOM 1057 CE LYS A 69 -15.913 -3.337 1.816 1.00 0.00 C ATOM 1058 NZ LYS A 69 -16.504 -3.872 0.580 1.00 0.00 N ATOM 0 H LYS A 69 -13.804 -4.503 2.153 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.236 -4.420 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.709 -6.131 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.179 -5.334 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.523 -3.590 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.329 -3.216 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.820 -5.355 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.024 -4.352 3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.423 -2.416 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.867 -3.082 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.052 -3.425 -0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.355 -4.900 0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.524 -3.669 0.567 1.00 0.00 H new ATOM 1072 N TRP A 70 -11.087 -6.584 4.817 1.00 0.00 N ATOM 1073 CA TRP A 70 -10.340 -7.815 4.981 1.00 0.00 C ATOM 1074 C TRP A 70 -9.735 -8.235 3.649 1.00 0.00 C ATOM 1075 O TRP A 70 -9.513 -9.421 3.412 1.00 0.00 O ATOM 1076 CB TRP A 70 -11.266 -8.902 5.521 1.00 0.00 C ATOM 1077 CG TRP A 70 -12.046 -8.517 6.737 1.00 0.00 C ATOM 1078 CD1 TRP A 70 -13.387 -8.366 6.788 1.00 0.00 C ATOM 1079 CD2 TRP A 70 -11.561 -8.229 8.084 1.00 0.00 C ATOM 1080 NE1 TRP A 70 -13.763 -8.007 8.065 1.00 0.00 N ATOM 1081 CE2 TRP A 70 -12.674 -7.908 8.907 1.00 0.00 C ATOM 1082 CE3 TRP A 70 -10.294 -8.207 8.694 1.00 0.00 C ATOM 1083 CZ2 TRP A 70 -12.539 -7.582 10.259 1.00 0.00 C ATOM 1084 CZ3 TRP A 70 -10.148 -7.882 10.051 1.00 0.00 C ATOM 1085 CH2 TRP A 70 -11.265 -7.569 10.834 1.00 0.00 C ATOM 0 H TRP A 70 -10.776 -5.819 5.416 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.528 -7.660 5.692 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.964 -9.188 4.734 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.670 -9.784 5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -14.061 -8.505 5.956 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -14.727 -7.836 8.352 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.418 -8.444 8.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.409 -7.343 10.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.164 -7.873 10.496 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.143 -7.319 11.877 1.00 0.00 H new ATOM 1096 N GLY A 71 -9.466 -7.259 2.779 1.00 0.00 N ATOM 1097 CA GLY A 71 -8.888 -7.537 1.479 1.00 0.00 C ATOM 1098 C GLY A 71 -7.369 -7.521 1.563 1.00 0.00 C ATOM 1099 O GLY A 71 -6.799 -6.873 2.438 1.00 0.00 O ATOM 0 H GLY A 71 -9.642 -6.271 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.229 -8.509 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.227 -6.795 0.756 1.00 0.00 H new ATOM 1103 N SER A 72 -6.712 -8.239 0.649 1.00 0.00 N ATOM 1104 CA SER A 72 -5.265 -8.303 0.624 1.00 0.00 C ATOM 1105 C SER A 72 -4.769 -8.232 -0.813 1.00 0.00 C ATOM 1106 O SER A 72 -5.518 -8.515 -1.746 1.00 0.00 O ATOM 1107 CB SER A 72 -4.802 -9.595 1.292 1.00 0.00 C ATOM 1108 OG SER A 72 -5.801 -10.049 2.178 1.00 0.00 O ATOM 0 H SER A 72 -7.169 -8.783 -0.083 1.00 0.00 H new ATOM 0 HA SER A 72 -4.851 -7.457 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.598 -10.354 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.871 -9.424 1.833 1.00 0.00 H new ATOM 0 HG SER A 72 -5.909 -11.018 2.081 1.00 0.00 H new ATOM 1114 N TRP A 73 -3.501 -7.852 -0.992 1.00 0.00 N ATOM 1115 CA TRP A 73 -2.916 -7.750 -2.314 1.00 0.00 C ATOM 1116 C TRP A 73 -1.699 -8.657 -2.414 1.00 0.00 C ATOM 1117 O TRP A 73 -0.909 -8.746 -1.477 1.00 0.00 O ATOM 1118 CB TRP A 73 -2.533 -6.298 -2.588 1.00 0.00 C ATOM 1119 CG TRP A 73 -2.087 -6.018 -3.987 1.00 0.00 C ATOM 1120 CD1 TRP A 73 -2.504 -6.683 -5.087 1.00 0.00 C ATOM 1121 CD2 TRP A 73 -1.144 -5.011 -4.464 1.00 0.00 C ATOM 1122 NE1 TRP A 73 -1.888 -6.160 -6.204 1.00 0.00 N ATOM 1123 CE2 TRP A 73 -1.036 -5.125 -5.876 1.00 0.00 C ATOM 1124 CE3 TRP A 73 -0.368 -4.014 -3.848 1.00 0.00 C ATOM 1125 CZ2 TRP A 73 -0.206 -4.296 -6.636 1.00 0.00 C ATOM 1126 CZ3 TRP A 73 0.469 -3.177 -4.600 1.00 0.00 C ATOM 1127 CH2 TRP A 73 0.552 -3.315 -5.991 1.00 0.00 C ATOM 0 H TRP A 73 -2.866 -7.611 -0.231 1.00 0.00 H new ATOM 0 HA TRP A 73 -3.642 -8.069 -3.062 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.389 -5.663 -2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -1.734 -6.013 -1.904 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -3.211 -7.499 -5.091 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -2.043 -6.496 -7.155 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.417 -3.890 -2.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -0.151 -4.412 -7.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.055 -2.419 -4.102 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.199 -2.666 -6.563 1.00 0.00 H new ATOM 1138 N ASN A 74 -1.549 -9.333 -3.555 1.00 0.00 N ATOM 1139 CA ASN A 74 -0.430 -10.228 -3.770 1.00 0.00 C ATOM 1140 C ASN A 74 0.026 -10.150 -5.220 1.00 0.00 C ATOM 1141 O ASN A 74 -0.245 -11.053 -6.009 1.00 0.00 O ATOM 1142 CB ASN A 74 -0.843 -11.653 -3.410 1.00 0.00 C ATOM 1143 CG ASN A 74 0.292 -12.631 -3.674 1.00 0.00 C ATOM 1144 OD1 ASN A 74 1.416 -12.416 -3.224 1.00 0.00 O ATOM 1145 ND2 ASN A 74 -0.003 -13.709 -4.404 1.00 0.00 N ATOM 0 H ASN A 74 -2.195 -9.271 -4.342 1.00 0.00 H new ATOM 0 HA ASN A 74 0.403 -9.932 -3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.130 -11.698 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.719 -11.940 -3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.720 -14.399 -4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.951 -13.843 -4.755 1.00 0.00 H new ATOM 1152 N PRO A 75 0.722 -9.065 -5.570 1.00 0.00 N ATOM 1153 CA PRO A 75 1.237 -8.821 -6.900 1.00 0.00 C ATOM 1154 C PRO A 75 2.413 -9.749 -7.170 1.00 0.00 C ATOM 1155 O PRO A 75 2.230 -10.856 -7.671 1.00 0.00 O ATOM 1156 CB PRO A 75 1.685 -7.361 -6.884 1.00 0.00 C ATOM 1157 CG PRO A 75 2.085 -7.146 -5.425 1.00 0.00 C ATOM 1158 CD PRO A 75 1.058 -7.985 -4.669 1.00 0.00 C ATOM 0 HA PRO A 75 0.500 -9.006 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.520 -7.187 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.883 -6.688 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.104 -7.481 -5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.036 -6.094 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.470 -8.365 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.177 -7.395 -4.414 1.00 0.00 H new ATOM 1166 N GLY A 76 3.624 -9.295 -6.839 1.00 0.00 N ATOM 1167 CA GLY A 76 4.818 -10.088 -7.052 1.00 0.00 C ATOM 1168 C GLY A 76 6.044 -9.188 -7.120 1.00 0.00 C ATOM 1169 O GLY A 76 6.693 -9.097 -8.159 1.00 0.00 O ATOM 0 H GLY A 76 3.795 -8.380 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.933 -10.810 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.725 -10.657 -7.977 1.00 0.00 H new ATOM 1173 N HIS A 77 6.360 -8.523 -6.006 1.00 0.00 N ATOM 1174 CA HIS A 77 7.503 -7.634 -5.943 1.00 0.00 C ATOM 1175 C HIS A 77 7.274 -6.435 -6.853 1.00 0.00 C ATOM 1176 O HIS A 77 7.580 -6.488 -8.041 1.00 0.00 O ATOM 1177 CB HIS A 77 8.760 -8.393 -6.357 1.00 0.00 C ATOM 1178 CG HIS A 77 9.877 -7.480 -6.782 1.00 0.00 C ATOM 1179 ND1 HIS A 77 9.989 -6.139 -6.469 1.00 0.00 N ATOM 1180 CD2 HIS A 77 10.955 -7.834 -7.544 1.00 0.00 C ATOM 1181 CE1 HIS A 77 11.122 -5.685 -7.036 1.00 0.00 C ATOM 1182 NE2 HIS A 77 11.723 -6.696 -7.692 1.00 0.00 N ATOM 0 H HIS A 77 5.832 -8.590 -5.136 1.00 0.00 H new ATOM 0 HA HIS A 77 7.632 -7.272 -4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.098 -9.010 -5.524 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.517 -9.069 -7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.165 -8.812 -7.951 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.490 -4.672 -6.975 1.00 0.00 H new ATOM 0 HE2 HIS A 77 12.599 -6.632 -8.211 1.00 0.00 H new ATOM 1191 N ILE A 78 6.734 -5.351 -6.290 1.00 0.00 N ATOM 1192 CA ILE A 78 6.469 -4.145 -7.049 1.00 0.00 C ATOM 1193 C ILE A 78 7.682 -3.227 -6.997 1.00 0.00 C ATOM 1194 O ILE A 78 8.500 -3.326 -6.084 1.00 0.00 O ATOM 1195 CB ILE A 78 5.237 -3.447 -6.480 1.00 0.00 C ATOM 1196 CG1 ILE A 78 4.052 -4.407 -6.504 1.00 0.00 C ATOM 1197 CG2 ILE A 78 4.913 -2.218 -7.325 1.00 0.00 C ATOM 1198 CD1 ILE A 78 3.189 -4.120 -7.730 1.00 0.00 C ATOM 0 H ILE A 78 6.474 -5.293 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 78 6.276 -4.401 -8.091 1.00 0.00 H new ATOM 0 HB ILE A 78 5.435 -3.140 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.406 -5.438 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.461 -4.294 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.033 -1.719 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.759 -1.532 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.715 -2.525 -8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.342 -4.806 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.824 -3.094 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.784 -4.255 -8.633 1.00 0.00 H new ATOM 1210 N HIS A 79 7.798 -2.330 -7.980 1.00 0.00 N ATOM 1211 CA HIS A 79 8.909 -1.401 -8.042 1.00 0.00 C ATOM 1212 C HIS A 79 8.987 -0.604 -6.747 1.00 0.00 C ATOM 1213 O HIS A 79 9.830 -0.880 -5.897 1.00 0.00 O ATOM 1214 CB HIS A 79 8.727 -0.472 -9.239 1.00 0.00 C ATOM 1215 CG HIS A 79 9.522 0.798 -9.113 1.00 0.00 C ATOM 1216 ND1 HIS A 79 10.848 0.890 -8.735 1.00 0.00 N ATOM 1217 CD2 HIS A 79 9.057 2.061 -9.354 1.00 0.00 C ATOM 1218 CE1 HIS A 79 11.183 2.193 -8.746 1.00 0.00 C ATOM 1219 NE2 HIS A 79 10.112 2.921 -9.118 1.00 0.00 N ATOM 0 H HIS A 79 7.128 -2.234 -8.743 1.00 0.00 H new ATOM 0 HA HIS A 79 9.842 -1.951 -8.164 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.026 -0.994 -10.148 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.671 -0.226 -9.345 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.461 0.112 -8.492 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.060 2.333 -9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.155 2.592 -8.496 1.00 0.00 H new ATOM 1228 N GLU A 80 8.105 0.387 -6.599 1.00 0.00 N ATOM 1229 CA GLU A 80 8.081 1.214 -5.409 1.00 0.00 C ATOM 1230 C GLU A 80 6.727 1.898 -5.279 1.00 0.00 C ATOM 1231 O GLU A 80 6.073 2.180 -6.281 1.00 0.00 O ATOM 1232 CB GLU A 80 9.203 2.245 -5.485 1.00 0.00 C ATOM 1233 CG GLU A 80 9.301 2.990 -4.157 1.00 0.00 C ATOM 1234 CD GLU A 80 9.444 4.488 -4.383 1.00 0.00 C ATOM 1235 OE1 GLU A 80 9.039 4.938 -5.477 1.00 0.00 O ATOM 1236 OE2 GLU A 80 9.956 5.155 -3.459 1.00 0.00 O ATOM 0 H GLU A 80 7.400 0.630 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 80 8.235 0.592 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.149 1.752 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.011 2.948 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.412 2.792 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.156 2.621 -3.591 1.00 0.00 H new ATOM 1243 N ILE A 81 6.309 2.166 -4.040 1.00 0.00 N ATOM 1244 CA ILE A 81 5.040 2.817 -3.783 1.00 0.00 C ATOM 1245 C ILE A 81 5.186 4.321 -3.970 1.00 0.00 C ATOM 1246 O ILE A 81 6.184 4.906 -3.556 1.00 0.00 O ATOM 1247 CB ILE A 81 4.579 2.489 -2.366 1.00 0.00 C ATOM 1248 CG1 ILE A 81 4.273 0.998 -2.262 1.00 0.00 C ATOM 1249 CG2 ILE A 81 3.321 3.291 -2.042 1.00 0.00 C ATOM 1250 CD1 ILE A 81 3.048 0.670 -3.111 1.00 0.00 C ATOM 0 H ILE A 81 6.841 1.937 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 81 4.291 2.455 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 81 5.367 2.748 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.130 0.415 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.092 0.725 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.991 3.057 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.540 4.356 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.533 3.033 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.829 -0.395 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.193 1.242 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.246 0.928 -4.151 1.00 0.00 H new ATOM 1262 N LEU A 82 4.186 4.946 -4.595 1.00 0.00 N ATOM 1263 CA LEU A 82 4.207 6.376 -4.833 1.00 0.00 C ATOM 1264 C LEU A 82 3.555 7.104 -3.666 1.00 0.00 C ATOM 1265 O LEU A 82 4.210 7.877 -2.971 1.00 0.00 O ATOM 1266 CB LEU A 82 3.478 6.685 -6.138 1.00 0.00 C ATOM 1267 CG LEU A 82 4.005 5.774 -7.243 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.952 6.510 -8.578 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.447 5.382 -6.934 1.00 0.00 C ATOM 0 H LEU A 82 3.351 4.475 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 82 5.238 6.718 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.405 6.538 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.627 7.730 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 82 3.389 4.877 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.328 5.859 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.922 6.790 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.568 7.408 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.824 4.731 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.064 6.279 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.485 4.855 -5.980 1.00 0.00 H new ATOM 1281 N SER A 83 2.261 6.854 -3.453 1.00 0.00 N ATOM 1282 CA SER A 83 1.530 7.484 -2.372 1.00 0.00 C ATOM 1283 C SER A 83 0.494 6.518 -1.816 1.00 0.00 C ATOM 1284 O SER A 83 0.252 5.462 -2.397 1.00 0.00 O ATOM 1285 CB SER A 83 0.862 8.757 -2.886 1.00 0.00 C ATOM 1286 OG SER A 83 0.561 9.601 -1.797 1.00 0.00 O ATOM 0 H SER A 83 1.704 6.216 -4.022 1.00 0.00 H new ATOM 0 HA SER A 83 2.218 7.748 -1.569 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.522 9.270 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.049 8.508 -3.430 1.00 0.00 H new ATOM 0 HG SER A 83 0.134 10.419 -2.126 1.00 0.00 H new ATOM 1292 N ILE A 84 -0.118 6.882 -0.687 1.00 0.00 N ATOM 1293 CA ILE A 84 -1.125 6.050 -0.059 1.00 0.00 C ATOM 1294 C ILE A 84 -2.352 6.889 0.272 1.00 0.00 C ATOM 1295 O ILE A 84 -2.234 7.950 0.880 1.00 0.00 O ATOM 1296 CB ILE A 84 -0.546 5.416 1.202 1.00 0.00 C ATOM 1297 CG1 ILE A 84 0.312 4.214 0.820 1.00 0.00 C ATOM 1298 CG2 ILE A 84 -1.684 4.960 2.111 1.00 0.00 C ATOM 1299 CD1 ILE A 84 1.162 3.794 2.016 1.00 0.00 C ATOM 0 H ILE A 84 0.073 7.754 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.426 5.256 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 84 0.068 6.148 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.323 3.387 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.953 4.465 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.271 4.507 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.297 5.819 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.298 4.228 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.775 2.935 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.807 4.621 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.511 3.526 2.848 1.00 0.00 H new ATOM 1311 N ARG A 85 -3.531 6.410 -0.130 1.00 0.00 N ATOM 1312 CA ARG A 85 -4.771 7.116 0.125 1.00 0.00 C ATOM 1313 C ARG A 85 -5.725 6.219 0.900 1.00 0.00 C ATOM 1314 O ARG A 85 -5.951 5.073 0.519 1.00 0.00 O ATOM 1315 CB ARG A 85 -5.391 7.546 -1.201 1.00 0.00 C ATOM 1316 CG ARG A 85 -6.528 8.529 -0.936 1.00 0.00 C ATOM 1317 CD ARG A 85 -7.558 8.430 -2.058 1.00 0.00 C ATOM 1318 NE ARG A 85 -7.317 9.445 -3.083 1.00 0.00 N ATOM 1319 CZ ARG A 85 -8.030 9.517 -4.215 1.00 0.00 C ATOM 1320 NH1 ARG A 85 -9.013 8.635 -4.445 1.00 0.00 N ATOM 1321 NH2 ARG A 85 -7.761 10.470 -5.118 1.00 0.00 N ATOM 0 H ARG A 85 -3.645 5.531 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.572 8.005 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.635 8.010 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.767 6.675 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.997 8.309 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.138 9.545 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.517 7.438 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.560 8.553 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.574 10.127 -2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.218 7.909 -3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.556 8.690 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.013 11.141 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.304 10.524 -5.980 1.00 0.00 H new ATOM 1335 N ILE A 86 -6.286 6.745 1.992 1.00 0.00 N ATOM 1336 CA ILE A 86 -7.213 5.994 2.815 1.00 0.00 C ATOM 1337 C ILE A 86 -8.588 6.645 2.766 1.00 0.00 C ATOM 1338 O ILE A 86 -8.704 7.865 2.863 1.00 0.00 O ATOM 1339 CB ILE A 86 -6.691 5.938 4.247 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -5.225 5.514 4.239 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -7.508 4.928 5.047 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -4.668 5.582 5.658 1.00 0.00 C ATOM 0 H ILE A 86 -6.107 7.694 2.321 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.301 4.976 2.436 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.781 6.923 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.131 4.501 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.651 6.165 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.135 4.888 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.555 5.231 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.418 3.943 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.621 5.279 5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.749 6.603 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.236 4.913 6.304 1.00 0.00 H new ATOM 1354 N TYR A 87 -9.633 5.828 2.614 1.00 0.00 N ATOM 1355 CA TYR A 87 -10.991 6.329 2.552 1.00 0.00 C ATOM 1356 C TYR A 87 -11.540 6.511 3.960 1.00 0.00 C ATOM 1357 O TYR A 87 -12.319 7.428 4.211 1.00 0.00 O ATOM 1358 CB TYR A 87 -11.855 5.355 1.756 1.00 0.00 C ATOM 1359 CG TYR A 87 -11.696 5.491 0.261 1.00 0.00 C ATOM 1360 CD1 TYR A 87 -10.633 4.856 -0.391 1.00 0.00 C ATOM 1361 CD2 TYR A 87 -12.613 6.253 -0.474 1.00 0.00 C ATOM 1362 CE1 TYR A 87 -10.485 4.982 -1.777 1.00 0.00 C ATOM 1363 CE2 TYR A 87 -12.465 6.379 -1.861 1.00 0.00 C ATOM 1364 CZ TYR A 87 -11.401 5.744 -2.512 1.00 0.00 C ATOM 1365 OH TYR A 87 -11.257 5.867 -3.863 1.00 0.00 O ATOM 0 H TYR A 87 -9.555 4.814 2.532 1.00 0.00 H new ATOM 0 HA TYR A 87 -11.003 7.298 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -11.603 4.336 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -12.901 5.513 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.926 4.268 0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -13.434 6.743 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.664 4.492 -2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.172 6.966 -2.428 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.977 6.428 -4.219 1.00 0.00 H new