USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 806 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 99 ASN : amide:sc= -2.84 K(o=-3.1,f=-1.7) USER MOD Set 1.2: A 101 LYS NZ :NH3+ 162:sc= -0.297 (180deg=-0.327) USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 MET CE :methyl -110:sc= -0.173 (180deg=-0.313) USER MOD Single : A 14 ASN : amide:sc= -0.751 K(o=-0.75,f=-6.7!) USER MOD Single : A 17 ASN : amide:sc= 0.573 K(o=0.57,f=-0.015) USER MOD Single : A 19 THR OG1 : rot 80:sc= 0.484 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= 0.356 (180deg=0.0672) USER MOD Single : A 26 SER OG : rot -48:sc= 0.815 USER MOD Single : A 27 SER OG : rot -160:sc= -0.101 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.115 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -89:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 8:sc= 1.01 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.81) USER MOD Single : A 54 SER OG : rot -92:sc= 0.593 USER MOD Single : A 56 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.62) USER MOD Single : A 57 TYR OH : rot -26:sc= 0.0276 USER MOD Single : A 61 LYS NZ :NH3+ 136:sc= 0.752 (180deg=-3.35!) USER MOD Single : A 62 THR OG1 : rot -58:sc= 0.597 USER MOD Single : A 64 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.8!) USER MOD Single : A 66 ASN : amide:sc= -4.41 K(o=-4.4,f=-8!) USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.429) USER MOD Single : A 72 ASN : amide:sc= -1.45 K(o=-1.4,f=0.035) USER MOD Single : A 73 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc=-0.00547 (180deg=-0.175) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 140:sc= -5.07! (180deg=-10.7!) USER MOD Single : A 104 MET CE :methyl -144:sc= 0 (180deg=-1.04) USER MOD Single : A 105 THR OG1 : rot 141:sc= 1.07 USER MOD Single : A 109 CYS SG : rot -61:sc= -0.169 USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.510 3.771 7.534 1.00 0.00 N ATOM 93 CA ASP A 10 12.472 4.998 6.749 1.00 0.00 C ATOM 94 C ASP A 10 12.323 4.688 5.263 1.00 0.00 C ATOM 95 O ASP A 10 11.764 5.483 4.505 1.00 0.00 O ATOM 96 CB ASP A 10 13.739 5.821 6.987 1.00 0.00 C ATOM 97 CG ASP A 10 13.709 6.562 8.310 1.00 0.00 C ATOM 98 OD1 ASP A 10 12.973 7.565 8.412 1.00 0.00 O ATOM 99 OD2 ASP A 10 14.421 6.136 9.243 1.00 0.00 O ATOM 0 HA ASP A 10 11.606 5.578 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.607 5.162 6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.861 6.538 6.175 1.00 0.00 H new ATOM 104 N ILE A 11 12.827 3.530 4.852 1.00 0.00 N ATOM 105 CA ILE A 11 12.751 3.115 3.457 1.00 0.00 C ATOM 106 C ILE A 11 11.340 2.664 3.093 1.00 0.00 C ATOM 107 O ILE A 11 10.983 2.597 1.917 1.00 0.00 O ATOM 108 CB ILE A 11 13.737 1.972 3.154 1.00 0.00 C ATOM 109 CG1 ILE A 11 14.113 1.973 1.671 1.00 0.00 C ATOM 110 CG2 ILE A 11 13.134 0.633 3.553 1.00 0.00 C ATOM 111 CD1 ILE A 11 15.425 1.277 1.379 1.00 0.00 C ATOM 0 H ILE A 11 13.293 2.862 5.466 1.00 0.00 H new ATOM 0 HA ILE A 11 13.019 3.984 2.855 1.00 0.00 H new ATOM 0 HB ILE A 11 14.643 2.129 3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.319 1.488 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.172 3.003 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.843 -0.165 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.912 0.637 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.214 0.467 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.627 1.316 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 11 16.230 1.776 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.364 0.237 1.699 1.00 0.00 H new ATOM 123 N ILE A 12 10.543 2.359 4.112 1.00 0.00 N ATOM 124 CA ILE A 12 9.169 1.917 3.900 1.00 0.00 C ATOM 125 C ILE A 12 8.483 2.754 2.826 1.00 0.00 C ATOM 126 O ILE A 12 7.717 2.234 2.014 1.00 0.00 O ATOM 127 CB ILE A 12 8.347 1.994 5.199 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.994 1.138 6.290 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.915 1.546 4.947 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.290 1.227 7.626 1.00 0.00 C ATOM 0 H ILE A 12 10.824 2.410 5.091 1.00 0.00 H new ATOM 0 HA ILE A 12 9.218 0.879 3.572 1.00 0.00 H new ATOM 0 HB ILE A 12 8.329 3.030 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.007 0.098 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.032 1.446 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.346 1.606 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.458 2.193 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.914 0.517 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.803 0.595 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.300 2.260 7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.259 0.890 7.517 1.00 0.00 H new ATOM 142 N VAL A 13 8.762 4.053 2.827 1.00 0.00 N ATOM 143 CA VAL A 13 8.174 4.963 1.851 1.00 0.00 C ATOM 144 C VAL A 13 8.883 4.859 0.505 1.00 0.00 C ATOM 145 O VAL A 13 8.242 4.766 -0.540 1.00 0.00 O ATOM 146 CB VAL A 13 8.231 6.423 2.338 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.812 7.374 1.228 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.357 6.608 3.569 1.00 0.00 C ATOM 0 H VAL A 13 9.392 4.500 3.493 1.00 0.00 H new ATOM 0 HA VAL A 13 7.131 4.668 1.733 1.00 0.00 H new ATOM 0 HB VAL A 13 9.260 6.656 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.859 8.401 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.484 7.259 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.792 7.145 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.409 7.645 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.325 6.357 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.710 5.955 4.367 1.00 0.00 H new ATOM 158 N ASN A 14 10.212 4.875 0.540 1.00 0.00 N ATOM 159 CA ASN A 14 11.010 4.783 -0.677 1.00 0.00 C ATOM 160 C ASN A 14 10.614 3.557 -1.495 1.00 0.00 C ATOM 161 O ASN A 14 10.330 3.660 -2.689 1.00 0.00 O ATOM 162 CB ASN A 14 12.499 4.720 -0.332 1.00 0.00 C ATOM 163 CG ASN A 14 13.297 3.937 -1.356 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.803 2.852 -1.067 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.413 4.483 -2.561 1.00 0.00 N ATOM 0 H ASN A 14 10.759 4.951 1.398 1.00 0.00 H new ATOM 0 HA ASN A 14 10.820 5.674 -1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.896 5.733 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.623 4.261 0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.938 4.001 -3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.977 5.384 -2.757 1.00 0.00 H new ATOM 172 N TRP A 15 10.597 2.399 -0.844 1.00 0.00 N ATOM 173 CA TRP A 15 10.235 1.154 -1.511 1.00 0.00 C ATOM 174 C TRP A 15 8.944 1.316 -2.305 1.00 0.00 C ATOM 175 O TRP A 15 8.872 0.940 -3.475 1.00 0.00 O ATOM 176 CB TRP A 15 10.080 0.028 -0.487 1.00 0.00 C ATOM 177 CG TRP A 15 9.954 -1.329 -1.109 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.973 -2.176 -1.442 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.741 -1.995 -1.474 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.466 -3.328 -1.993 1.00 0.00 N ATOM 181 CE2 TRP A 15 9.099 -3.242 -2.023 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.386 -1.661 -1.390 1.00 0.00 C ATOM 183 CZ2 TRP A 15 8.152 -4.152 -2.485 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.448 -2.564 -1.849 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.833 -3.799 -2.389 1.00 0.00 C ATOM 0 H TRP A 15 10.829 2.297 0.144 1.00 0.00 H new ATOM 0 HA TRP A 15 11.036 0.898 -2.204 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.941 0.034 0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.199 0.222 0.125 1.00 0.00 H new ATOM 0 HD1 TRP A 15 12.023 -1.970 -1.294 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.018 -4.119 -2.326 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.078 -0.713 -0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.448 -5.102 -2.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.399 -2.314 -1.791 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.074 -4.485 -2.736 1.00 0.00 H new ATOM 196 N VAL A 16 7.926 1.879 -1.663 1.00 0.00 N ATOM 197 CA VAL A 16 6.637 2.093 -2.311 1.00 0.00 C ATOM 198 C VAL A 16 6.770 3.032 -3.504 1.00 0.00 C ATOM 199 O VAL A 16 6.376 2.694 -4.619 1.00 0.00 O ATOM 200 CB VAL A 16 5.605 2.674 -1.326 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.311 3.017 -2.050 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.345 1.699 -0.189 1.00 0.00 C ATOM 0 H VAL A 16 7.968 2.195 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 16 6.291 1.119 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 16 6.011 3.592 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.594 3.426 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.513 3.755 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.898 2.116 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.614 2.126 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.960 0.763 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.275 1.507 0.346 1.00 0.00 H new ATOM 212 N ASN A 17 7.330 4.213 -3.261 1.00 0.00 N ATOM 213 CA ASN A 17 7.516 5.202 -4.317 1.00 0.00 C ATOM 214 C ASN A 17 8.210 4.584 -5.526 1.00 0.00 C ATOM 215 O ASN A 17 7.744 4.718 -6.657 1.00 0.00 O ATOM 216 CB ASN A 17 8.333 6.387 -3.796 1.00 0.00 C ATOM 217 CG ASN A 17 7.485 7.379 -3.024 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.113 8.431 -3.544 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.175 7.047 -1.776 1.00 0.00 N ATOM 0 H ASN A 17 7.663 4.508 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 17 6.532 5.555 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.132 6.019 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.808 6.895 -4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.606 7.675 -1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.505 6.164 -1.386 1.00 0.00 H new ATOM 226 N GLU A 18 9.327 3.905 -5.277 1.00 0.00 N ATOM 227 CA GLU A 18 10.084 3.265 -6.347 1.00 0.00 C ATOM 228 C GLU A 18 9.226 2.244 -7.088 1.00 0.00 C ATOM 229 O GLU A 18 8.937 2.402 -8.273 1.00 0.00 O ATOM 230 CB GLU A 18 11.332 2.584 -5.781 1.00 0.00 C ATOM 231 CG GLU A 18 12.549 3.493 -5.724 1.00 0.00 C ATOM 232 CD GLU A 18 13.245 3.618 -7.065 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.561 2.574 -7.671 1.00 0.00 O ATOM 234 OE2 GLU A 18 13.473 4.763 -7.509 1.00 0.00 O ATOM 0 H GLU A 18 9.726 3.785 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 18 10.388 4.037 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.113 2.220 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.568 1.712 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.244 4.482 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.253 3.106 -4.988 1.00 0.00 H new ATOM 241 N THR A 19 8.820 1.195 -6.379 1.00 0.00 N ATOM 242 CA THR A 19 7.997 0.147 -6.967 1.00 0.00 C ATOM 243 C THR A 19 6.985 0.728 -7.948 1.00 0.00 C ATOM 244 O THR A 19 6.738 0.159 -9.012 1.00 0.00 O ATOM 245 CB THR A 19 7.247 -0.653 -5.885 1.00 0.00 C ATOM 246 OG1 THR A 19 8.177 -1.403 -5.097 1.00 0.00 O ATOM 247 CG2 THR A 19 6.232 -1.594 -6.515 1.00 0.00 C ATOM 0 H THR A 19 9.049 1.049 -5.396 1.00 0.00 H new ATOM 0 HA THR A 19 8.672 -0.523 -7.500 1.00 0.00 H new ATOM 0 HB THR A 19 6.716 0.052 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.586 -0.816 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.715 -2.148 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.508 -1.016 -7.090 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.745 -2.293 -7.176 1.00 0.00 H new ATOM 255 N LEU A 20 6.402 1.864 -7.584 1.00 0.00 N ATOM 256 CA LEU A 20 5.415 2.524 -8.432 1.00 0.00 C ATOM 257 C LEU A 20 6.090 3.226 -9.606 1.00 0.00 C ATOM 258 O LEU A 20 5.603 3.173 -10.736 1.00 0.00 O ATOM 259 CB LEU A 20 4.606 3.534 -7.616 1.00 0.00 C ATOM 260 CG LEU A 20 3.731 2.952 -6.505 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.538 3.969 -5.390 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.387 2.508 -7.062 1.00 0.00 C ATOM 0 H LEU A 20 6.595 2.348 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 20 4.742 1.762 -8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.298 4.248 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.967 4.094 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 20 4.236 2.080 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.913 3.538 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.508 4.239 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.055 4.860 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.778 2.097 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.876 3.363 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.543 1.745 -7.825 1.00 0.00 H new ATOM 274 N ARG A 21 7.213 3.881 -9.332 1.00 0.00 N ATOM 275 CA ARG A 21 7.955 4.593 -10.365 1.00 0.00 C ATOM 276 C ARG A 21 8.426 3.632 -11.455 1.00 0.00 C ATOM 277 O ARG A 21 8.206 3.870 -12.642 1.00 0.00 O ATOM 278 CB ARG A 21 9.156 5.316 -9.755 1.00 0.00 C ATOM 279 CG ARG A 21 9.626 6.510 -10.569 1.00 0.00 C ATOM 280 CD ARG A 21 10.307 7.550 -9.692 1.00 0.00 C ATOM 281 NE ARG A 21 9.349 8.480 -9.102 1.00 0.00 N ATOM 282 CZ ARG A 21 8.808 9.497 -9.765 1.00 0.00 C ATOM 283 NH1 ARG A 21 9.129 9.711 -11.034 1.00 0.00 N ATOM 284 NH2 ARG A 21 7.943 10.300 -9.160 1.00 0.00 N ATOM 0 H ARG A 21 7.629 3.933 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 21 7.288 5.328 -10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.896 5.651 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.980 4.610 -9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.318 6.175 -11.342 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.775 6.963 -11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.861 7.048 -8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.033 8.106 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 21 9.080 8.342 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.792 9.094 -11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.712 10.492 -11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.692 10.137 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.529 11.080 -9.670 1.00 0.00 H new ATOM 298 N GLU A 22 9.075 2.549 -11.040 1.00 0.00 N ATOM 299 CA GLU A 22 9.577 1.555 -11.982 1.00 0.00 C ATOM 300 C GLU A 22 8.437 0.950 -12.795 1.00 0.00 C ATOM 301 O GLU A 22 8.650 0.426 -13.888 1.00 0.00 O ATOM 302 CB GLU A 22 10.330 0.449 -11.237 1.00 0.00 C ATOM 303 CG GLU A 22 9.424 -0.464 -10.428 1.00 0.00 C ATOM 304 CD GLU A 22 10.194 -1.533 -9.676 1.00 0.00 C ATOM 305 OE1 GLU A 22 11.129 -1.176 -8.930 1.00 0.00 O ATOM 306 OE2 GLU A 22 9.860 -2.725 -9.835 1.00 0.00 O ATOM 0 H GLU A 22 9.265 2.338 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 22 10.262 2.055 -12.667 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.886 -0.150 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.062 0.905 -10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.852 0.134 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.705 -0.940 -11.095 1.00 0.00 H new ATOM 313 N ALA A 23 7.227 1.026 -12.253 1.00 0.00 N ATOM 314 CA ALA A 23 6.052 0.489 -12.928 1.00 0.00 C ATOM 315 C ALA A 23 5.315 1.578 -13.700 1.00 0.00 C ATOM 316 O ALA A 23 4.401 1.293 -14.474 1.00 0.00 O ATOM 317 CB ALA A 23 5.120 -0.171 -11.922 1.00 0.00 C ATOM 0 H ALA A 23 7.034 1.454 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 23 6.387 -0.262 -13.643 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.247 -0.567 -12.440 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.644 -0.984 -11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.801 0.565 -11.184 1.00 0.00 H new ATOM 323 N GLU A 24 5.717 2.826 -13.483 1.00 0.00 N ATOM 324 CA GLU A 24 5.093 3.958 -14.158 1.00 0.00 C ATOM 325 C GLU A 24 3.655 4.147 -13.685 1.00 0.00 C ATOM 326 O GLU A 24 2.730 4.238 -14.492 1.00 0.00 O ATOM 327 CB GLU A 24 5.120 3.753 -15.674 1.00 0.00 C ATOM 328 CG GLU A 24 6.436 3.196 -16.189 1.00 0.00 C ATOM 329 CD GLU A 24 6.315 2.605 -17.581 1.00 0.00 C ATOM 330 OE1 GLU A 24 5.999 3.362 -18.522 1.00 0.00 O ATOM 331 OE2 GLU A 24 6.536 1.385 -17.728 1.00 0.00 O ATOM 0 H GLU A 24 6.472 3.079 -12.845 1.00 0.00 H new ATOM 0 HA GLU A 24 5.660 4.855 -13.909 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.314 3.076 -15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.922 4.706 -16.165 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.183 3.990 -16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.795 2.429 -15.503 1.00 0.00 H new ATOM 338 N LYS A 25 3.474 4.206 -12.370 1.00 0.00 N ATOM 339 CA LYS A 25 2.149 4.385 -11.786 1.00 0.00 C ATOM 340 C LYS A 25 1.884 5.856 -11.480 1.00 0.00 C ATOM 341 O LYS A 25 2.814 6.628 -11.248 1.00 0.00 O ATOM 342 CB LYS A 25 2.015 3.554 -10.508 1.00 0.00 C ATOM 343 CG LYS A 25 1.523 2.137 -10.753 1.00 0.00 C ATOM 344 CD LYS A 25 2.226 1.500 -11.939 1.00 0.00 C ATOM 345 CE LYS A 25 1.634 0.138 -12.271 1.00 0.00 C ATOM 346 NZ LYS A 25 1.780 -0.192 -13.716 1.00 0.00 N ATOM 0 H LYS A 25 4.229 4.132 -11.688 1.00 0.00 H new ATOM 0 HA LYS A 25 1.410 4.044 -12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.983 3.512 -10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.327 4.056 -9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.692 1.533 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.448 2.150 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.144 2.155 -12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.288 1.393 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.126 -0.628 -11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.578 0.125 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.858 -1.223 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.948 0.152 -14.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.636 0.264 -14.091 1.00 0.00 H new ATOM 360 N SER A 26 0.611 6.235 -11.477 1.00 0.00 N ATOM 361 CA SER A 26 0.223 7.613 -11.201 1.00 0.00 C ATOM 362 C SER A 26 -0.123 7.795 -9.726 1.00 0.00 C ATOM 363 O SER A 26 -0.638 8.838 -9.322 1.00 0.00 O ATOM 364 CB SER A 26 -0.970 8.015 -12.069 1.00 0.00 C ATOM 365 OG SER A 26 -1.309 9.376 -11.873 1.00 0.00 O ATOM 0 H SER A 26 -0.171 5.606 -11.663 1.00 0.00 H new ATOM 0 HA SER A 26 1.070 8.256 -11.441 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.733 7.844 -13.119 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.827 7.386 -11.829 1.00 0.00 H new ATOM 0 HG SER A 26 -1.354 9.567 -10.913 1.00 0.00 H new ATOM 371 N SER A 27 0.163 6.771 -8.927 1.00 0.00 N ATOM 372 CA SER A 27 -0.122 6.815 -7.498 1.00 0.00 C ATOM 373 C SER A 27 1.168 6.747 -6.685 1.00 0.00 C ATOM 374 O SER A 27 2.167 6.183 -7.129 1.00 0.00 O ATOM 375 CB SER A 27 -1.046 5.661 -7.104 1.00 0.00 C ATOM 376 OG SER A 27 -2.243 5.685 -7.864 1.00 0.00 O ATOM 0 H SER A 27 0.591 5.902 -9.245 1.00 0.00 H new ATOM 0 HA SER A 27 -0.620 7.760 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.533 4.711 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.284 5.727 -6.042 1.00 0.00 H new ATOM 0 HG SER A 27 -2.934 5.165 -7.403 1.00 0.00 H new ATOM 382 N SER A 28 1.137 7.329 -5.489 1.00 0.00 N ATOM 383 CA SER A 28 2.304 7.340 -4.614 1.00 0.00 C ATOM 384 C SER A 28 1.964 7.961 -3.264 1.00 0.00 C ATOM 385 O SER A 28 0.814 8.316 -3.003 1.00 0.00 O ATOM 386 CB SER A 28 3.452 8.110 -5.269 1.00 0.00 C ATOM 387 OG SER A 28 3.171 9.498 -5.320 1.00 0.00 O ATOM 0 H SER A 28 0.317 7.798 -5.105 1.00 0.00 H new ATOM 0 HA SER A 28 2.615 6.308 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.372 7.942 -4.710 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.619 7.732 -6.278 1.00 0.00 H new ATOM 0 HG SER A 28 3.921 9.968 -5.741 1.00 0.00 H new ATOM 393 N ILE A 29 2.973 8.089 -2.408 1.00 0.00 N ATOM 394 CA ILE A 29 2.782 8.668 -1.084 1.00 0.00 C ATOM 395 C ILE A 29 3.916 9.626 -0.735 1.00 0.00 C ATOM 396 O ILE A 29 5.043 9.468 -1.206 1.00 0.00 O ATOM 397 CB ILE A 29 2.693 7.578 -0.001 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.745 6.495 -0.247 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.298 6.973 0.028 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.198 5.794 1.014 1.00 0.00 C ATOM 0 H ILE A 29 3.930 7.800 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 29 1.841 9.218 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 29 2.890 8.034 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.339 5.756 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.610 6.945 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.251 6.204 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.568 7.752 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.074 6.529 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.944 5.040 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.634 6.522 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.343 5.315 1.491 1.00 0.00 H new ATOM 412 N SER A 30 3.611 10.618 0.095 1.00 0.00 N ATOM 413 CA SER A 30 4.605 11.603 0.507 1.00 0.00 C ATOM 414 C SER A 30 5.212 11.230 1.856 1.00 0.00 C ATOM 415 O SER A 30 6.393 11.472 2.105 1.00 0.00 O ATOM 416 CB SER A 30 3.973 12.994 0.586 1.00 0.00 C ATOM 417 OG SER A 30 4.941 14.007 0.381 1.00 0.00 O ATOM 0 H SER A 30 2.684 10.761 0.496 1.00 0.00 H new ATOM 0 HA SER A 30 5.400 11.615 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.186 13.082 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.503 13.128 1.560 1.00 0.00 H new ATOM 0 HG SER A 30 4.511 14.886 0.435 1.00 0.00 H new ATOM 423 N SER A 31 4.395 10.642 2.724 1.00 0.00 N ATOM 424 CA SER A 31 4.849 10.239 4.049 1.00 0.00 C ATOM 425 C SER A 31 3.840 9.304 4.709 1.00 0.00 C ATOM 426 O SER A 31 2.740 9.096 4.194 1.00 0.00 O ATOM 427 CB SER A 31 5.071 11.470 4.932 1.00 0.00 C ATOM 428 OG SER A 31 5.696 11.115 6.152 1.00 0.00 O ATOM 0 H SER A 31 3.415 10.434 2.533 1.00 0.00 H new ATOM 0 HA SER A 31 5.793 9.706 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.687 12.196 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.115 11.952 5.136 1.00 0.00 H new ATOM 0 HG SER A 31 5.828 11.918 6.698 1.00 0.00 H new ATOM 434 N PHE A 32 4.222 8.739 5.850 1.00 0.00 N ATOM 435 CA PHE A 32 3.353 7.826 6.580 1.00 0.00 C ATOM 436 C PHE A 32 1.965 8.429 6.770 1.00 0.00 C ATOM 437 O PHE A 32 0.972 7.711 6.891 1.00 0.00 O ATOM 438 CB PHE A 32 3.964 7.483 7.939 1.00 0.00 C ATOM 439 CG PHE A 32 5.164 6.585 7.849 1.00 0.00 C ATOM 440 CD1 PHE A 32 6.406 7.099 7.514 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.050 5.226 8.096 1.00 0.00 C ATOM 442 CE1 PHE A 32 7.513 6.275 7.429 1.00 0.00 C ATOM 443 CE2 PHE A 32 6.154 4.398 8.014 1.00 0.00 C ATOM 444 CZ PHE A 32 7.387 4.922 7.679 1.00 0.00 C ATOM 0 H PHE A 32 5.129 8.898 6.289 1.00 0.00 H new ATOM 0 HA PHE A 32 3.254 6.913 5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.249 8.406 8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.206 7.002 8.558 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.511 8.156 7.317 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.088 4.809 8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.476 6.689 7.167 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.052 3.341 8.212 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.250 4.276 7.613 1.00 0.00 H new ATOM 454 N LYS A 33 1.904 9.757 6.799 1.00 0.00 N ATOM 455 CA LYS A 33 0.638 10.461 6.975 1.00 0.00 C ATOM 456 C LYS A 33 0.198 11.122 5.672 1.00 0.00 C ATOM 457 O LYS A 33 -0.203 12.286 5.661 1.00 0.00 O ATOM 458 CB LYS A 33 0.768 11.516 8.076 1.00 0.00 C ATOM 459 CG LYS A 33 0.840 10.928 9.475 1.00 0.00 C ATOM 460 CD LYS A 33 1.159 11.994 10.511 1.00 0.00 C ATOM 461 CE LYS A 33 1.235 11.404 11.911 1.00 0.00 C ATOM 462 NZ LYS A 33 0.870 12.402 12.953 1.00 0.00 N ATOM 0 H LYS A 33 2.716 10.367 6.703 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.118 9.732 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.663 12.111 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.083 12.195 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.110 10.453 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.603 10.150 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.107 12.471 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.395 12.771 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.567 10.546 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.245 11.038 12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.934 11.962 13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.523 13.210 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.103 12.733 12.791 1.00 0.00 H new ATOM 476 N ASP A 34 0.275 10.371 4.578 1.00 0.00 N ATOM 477 CA ASP A 34 -0.119 10.884 3.271 1.00 0.00 C ATOM 478 C ASP A 34 -1.635 10.839 3.103 1.00 0.00 C ATOM 479 O ASP A 34 -2.300 9.888 3.511 1.00 0.00 O ATOM 480 CB ASP A 34 0.553 10.077 2.160 1.00 0.00 C ATOM 481 CG ASP A 34 -0.146 10.235 0.825 1.00 0.00 C ATOM 482 OD1 ASP A 34 -1.268 9.706 0.677 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.428 10.887 -0.074 1.00 0.00 O ATOM 0 H ASP A 34 0.606 9.406 4.571 1.00 0.00 H new ATOM 0 HA ASP A 34 0.205 11.922 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.591 10.393 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.566 9.023 2.438 1.00 0.00 H new ATOM 488 N PRO A 35 -2.194 11.893 2.490 1.00 0.00 N ATOM 489 CA PRO A 35 -3.637 11.997 2.255 1.00 0.00 C ATOM 490 C PRO A 35 -4.128 11.003 1.208 1.00 0.00 C ATOM 491 O PRO A 35 -5.179 10.383 1.369 1.00 0.00 O ATOM 492 CB PRO A 35 -3.812 13.433 1.753 1.00 0.00 C ATOM 493 CG PRO A 35 -2.492 13.790 1.161 1.00 0.00 C ATOM 494 CD PRO A 35 -1.461 13.063 1.978 1.00 0.00 C ATOM 0 HA PRO A 35 -4.213 11.771 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.609 13.499 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.076 14.108 2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.441 13.492 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.328 14.867 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.604 12.767 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.079 13.684 2.788 1.00 0.00 H new ATOM 502 N LYS A 36 -3.360 10.855 0.134 1.00 0.00 N ATOM 503 CA LYS A 36 -3.713 9.934 -0.940 1.00 0.00 C ATOM 504 C LYS A 36 -4.042 8.552 -0.385 1.00 0.00 C ATOM 505 O LYS A 36 -4.845 7.817 -0.962 1.00 0.00 O ATOM 506 CB LYS A 36 -2.569 9.832 -1.950 1.00 0.00 C ATOM 507 CG LYS A 36 -2.156 11.170 -2.539 1.00 0.00 C ATOM 508 CD LYS A 36 -3.233 11.737 -3.446 1.00 0.00 C ATOM 509 CE LYS A 36 -3.150 11.149 -4.847 1.00 0.00 C ATOM 510 NZ LYS A 36 -4.215 11.686 -5.738 1.00 0.00 N ATOM 0 H LYS A 36 -2.488 11.362 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.598 10.324 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.706 9.377 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.868 9.165 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.950 11.875 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.231 11.050 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.215 11.529 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.132 12.821 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.172 11.369 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.236 10.064 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.124 11.261 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.148 11.454 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.118 12.719 -5.812 1.00 0.00 H new ATOM 524 N ILE A 37 -3.419 8.206 0.735 1.00 0.00 N ATOM 525 CA ILE A 37 -3.647 6.913 1.368 1.00 0.00 C ATOM 526 C ILE A 37 -5.121 6.721 1.709 1.00 0.00 C ATOM 527 O ILE A 37 -5.624 5.598 1.725 1.00 0.00 O ATOM 528 CB ILE A 37 -2.810 6.758 2.650 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.321 6.930 2.338 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.068 5.402 3.291 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.413 6.495 3.466 1.00 0.00 C ATOM 0 H ILE A 37 -2.752 8.803 1.224 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.340 6.152 0.651 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.107 7.534 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.077 6.356 1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.125 7.977 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.469 5.308 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.125 5.314 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.796 4.611 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.627 6.645 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.630 7.086 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.581 5.440 3.682 1.00 0.00 H new ATOM 543 N SER A 38 -5.808 7.825 1.983 1.00 0.00 N ATOM 544 CA SER A 38 -7.224 7.780 2.326 1.00 0.00 C ATOM 545 C SER A 38 -8.033 7.124 1.211 1.00 0.00 C ATOM 546 O SER A 38 -9.017 6.428 1.468 1.00 0.00 O ATOM 547 CB SER A 38 -7.752 9.191 2.592 1.00 0.00 C ATOM 548 OG SER A 38 -7.748 9.969 1.407 1.00 0.00 O ATOM 0 H SER A 38 -5.406 8.763 1.974 1.00 0.00 H new ATOM 0 HA SER A 38 -7.334 7.182 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.765 9.134 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.138 9.675 3.351 1.00 0.00 H new ATOM 0 HG SER A 38 -6.886 10.428 1.320 1.00 0.00 H new ATOM 554 N THR A 39 -7.611 7.350 -0.029 1.00 0.00 N ATOM 555 CA THR A 39 -8.295 6.783 -1.184 1.00 0.00 C ATOM 556 C THR A 39 -7.740 5.406 -1.531 1.00 0.00 C ATOM 557 O THR A 39 -8.292 4.698 -2.374 1.00 0.00 O ATOM 558 CB THR A 39 -8.171 7.700 -2.416 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.800 8.057 -2.625 1.00 0.00 O ATOM 560 CG2 THR A 39 -9.008 8.958 -2.241 1.00 0.00 C ATOM 0 H THR A 39 -6.798 7.922 -0.259 1.00 0.00 H new ATOM 0 HA THR A 39 -9.347 6.690 -0.914 1.00 0.00 H new ATOM 0 HB THR A 39 -8.540 7.156 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.232 7.546 -2.012 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.904 9.590 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.055 8.683 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.665 9.504 -1.362 1.00 0.00 H new ATOM 568 N SER A 40 -6.646 5.032 -0.876 1.00 0.00 N ATOM 569 CA SER A 40 -6.014 3.740 -1.118 1.00 0.00 C ATOM 570 C SER A 40 -5.400 3.689 -2.514 1.00 0.00 C ATOM 571 O SER A 40 -5.242 2.615 -3.097 1.00 0.00 O ATOM 572 CB SER A 40 -7.033 2.612 -0.955 1.00 0.00 C ATOM 573 OG SER A 40 -7.756 2.748 0.256 1.00 0.00 O ATOM 0 H SER A 40 -6.179 5.605 -0.174 1.00 0.00 H new ATOM 0 HA SER A 40 -5.218 3.609 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.725 2.618 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.521 1.650 -0.970 1.00 0.00 H new ATOM 0 HG SER A 40 -8.402 2.015 0.335 1.00 0.00 H new ATOM 579 N LEU A 41 -5.055 4.857 -3.045 1.00 0.00 N ATOM 580 CA LEU A 41 -4.457 4.947 -4.372 1.00 0.00 C ATOM 581 C LEU A 41 -3.052 4.355 -4.379 1.00 0.00 C ATOM 582 O LEU A 41 -2.725 3.477 -5.179 1.00 0.00 O ATOM 583 CB LEU A 41 -4.410 6.404 -4.834 1.00 0.00 C ATOM 584 CG LEU A 41 -5.683 6.941 -5.492 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.518 8.410 -5.853 1.00 0.00 C ATOM 586 CD2 LEU A 41 -6.032 6.122 -6.726 1.00 0.00 C ATOM 0 H LEU A 41 -5.179 5.755 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.076 4.373 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.178 7.030 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.586 6.514 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.503 6.853 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.433 8.775 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.317 8.986 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.686 8.523 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.940 6.518 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.213 6.177 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.194 5.083 -6.439 1.00 0.00 H new ATOM 598 N PRO A 42 -2.200 4.843 -3.466 1.00 0.00 N ATOM 599 CA PRO A 42 -0.816 4.373 -3.344 1.00 0.00 C ATOM 600 C PRO A 42 -0.732 2.950 -2.805 1.00 0.00 C ATOM 601 O PRO A 42 0.251 2.245 -3.035 1.00 0.00 O ATOM 602 CB PRO A 42 -0.194 5.358 -2.351 1.00 0.00 C ATOM 603 CG PRO A 42 -1.342 5.863 -1.548 1.00 0.00 C ATOM 604 CD PRO A 42 -2.521 5.890 -2.481 1.00 0.00 C ATOM 0 HA PRO A 42 -0.310 4.341 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.546 4.868 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.316 6.171 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.536 5.215 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.134 6.857 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.453 5.677 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.637 6.865 -2.954 1.00 0.00 H new ATOM 612 N VAL A 43 -1.769 2.531 -2.085 1.00 0.00 N ATOM 613 CA VAL A 43 -1.812 1.191 -1.515 1.00 0.00 C ATOM 614 C VAL A 43 -2.315 0.175 -2.535 1.00 0.00 C ATOM 615 O VAL A 43 -1.875 -0.975 -2.551 1.00 0.00 O ATOM 616 CB VAL A 43 -2.717 1.141 -0.269 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.489 -0.148 0.505 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.472 2.353 0.616 1.00 0.00 C ATOM 0 H VAL A 43 -2.590 3.101 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.792 0.937 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.757 1.162 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.137 -0.165 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.719 -1.001 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.448 -0.203 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.120 2.301 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.430 2.365 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.691 3.262 0.056 1.00 0.00 H new ATOM 628 N LEU A 44 -3.237 0.609 -3.387 1.00 0.00 N ATOM 629 CA LEU A 44 -3.800 -0.263 -4.413 1.00 0.00 C ATOM 630 C LEU A 44 -2.842 -0.407 -5.591 1.00 0.00 C ATOM 631 O LEU A 44 -2.660 -1.501 -6.125 1.00 0.00 O ATOM 632 CB LEU A 44 -5.143 0.288 -4.898 1.00 0.00 C ATOM 633 CG LEU A 44 -6.309 0.175 -3.914 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.381 1.204 -4.237 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.891 -1.230 -3.936 1.00 0.00 C ATOM 0 H LEU A 44 -3.611 1.558 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.956 -1.248 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.011 1.339 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.416 -0.232 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.934 0.375 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.202 1.109 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.956 2.206 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.754 1.036 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.719 -1.292 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.251 -1.459 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.120 -1.948 -3.655 1.00 0.00 H new ATOM 647 N ASP A 45 -2.230 0.703 -5.988 1.00 0.00 N ATOM 648 CA ASP A 45 -1.288 0.701 -7.101 1.00 0.00 C ATOM 649 C ASP A 45 -0.011 -0.047 -6.729 1.00 0.00 C ATOM 650 O ASP A 45 0.563 -0.764 -7.551 1.00 0.00 O ATOM 651 CB ASP A 45 -0.952 2.134 -7.516 1.00 0.00 C ATOM 652 CG ASP A 45 -2.010 2.739 -8.418 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.196 2.727 -8.030 1.00 0.00 O ATOM 654 OD2 ASP A 45 -1.651 3.223 -9.512 1.00 0.00 O ATOM 0 H ASP A 45 -2.369 1.616 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.757 0.189 -7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.843 2.751 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.009 2.144 -8.030 1.00 0.00 H new ATOM 659 N LEU A 46 0.429 0.125 -5.488 1.00 0.00 N ATOM 660 CA LEU A 46 1.640 -0.532 -5.008 1.00 0.00 C ATOM 661 C LEU A 46 1.527 -2.048 -5.145 1.00 0.00 C ATOM 662 O LEU A 46 2.494 -2.721 -5.501 1.00 0.00 O ATOM 663 CB LEU A 46 1.900 -0.159 -3.548 1.00 0.00 C ATOM 664 CG LEU A 46 2.866 -1.068 -2.785 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.162 -1.241 -3.562 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.144 -0.506 -1.398 1.00 0.00 C ATOM 0 H LEU A 46 -0.034 0.714 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 46 2.476 -0.191 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.289 0.859 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.946 -0.151 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 46 2.401 -2.047 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.837 -1.890 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.947 -1.688 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.632 -0.268 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.833 -1.165 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.588 0.485 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.210 -0.435 -0.840 1.00 0.00 H new ATOM 678 N ILE A 47 0.340 -2.576 -4.864 1.00 0.00 N ATOM 679 CA ILE A 47 0.101 -4.010 -4.960 1.00 0.00 C ATOM 680 C ILE A 47 0.168 -4.483 -6.408 1.00 0.00 C ATOM 681 O ILE A 47 0.979 -5.341 -6.754 1.00 0.00 O ATOM 682 CB ILE A 47 -1.268 -4.393 -4.369 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.327 -4.027 -2.883 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.533 -5.878 -4.565 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.736 -3.872 -2.355 1.00 0.00 C ATOM 0 H ILE A 47 -0.470 -2.032 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 47 0.886 -4.500 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.043 -3.833 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.814 -4.797 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.784 -3.095 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.505 -6.133 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.528 -6.111 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.756 -6.455 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.702 -3.613 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.246 -3.082 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.277 -4.810 -2.481 1.00 0.00 H new ATOM 697 N ASP A 48 -0.691 -3.916 -7.249 1.00 0.00 N ATOM 698 CA ASP A 48 -0.728 -4.277 -8.661 1.00 0.00 C ATOM 699 C ASP A 48 0.683 -4.434 -9.220 1.00 0.00 C ATOM 700 O ASP A 48 0.987 -5.414 -9.899 1.00 0.00 O ATOM 701 CB ASP A 48 -1.491 -3.220 -9.460 1.00 0.00 C ATOM 702 CG ASP A 48 -1.491 -3.506 -10.949 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.631 -4.688 -11.327 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.350 -2.547 -11.736 1.00 0.00 O ATOM 0 H ASP A 48 -1.370 -3.205 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.244 -5.233 -8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.520 -3.171 -9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.045 -2.242 -9.281 1.00 0.00 H new ATOM 709 N ALA A 49 1.540 -3.462 -8.929 1.00 0.00 N ATOM 710 CA ALA A 49 2.919 -3.492 -9.402 1.00 0.00 C ATOM 711 C ALA A 49 3.589 -4.818 -9.056 1.00 0.00 C ATOM 712 O ALA A 49 4.367 -5.355 -9.844 1.00 0.00 O ATOM 713 CB ALA A 49 3.705 -2.331 -8.811 1.00 0.00 C ATOM 0 H ALA A 49 1.304 -2.643 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 49 2.907 -3.393 -10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.733 -2.366 -9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.246 -1.390 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.700 -2.405 -7.723 1.00 0.00 H new ATOM 719 N ILE A 50 3.282 -5.338 -7.872 1.00 0.00 N ATOM 720 CA ILE A 50 3.855 -6.601 -7.422 1.00 0.00 C ATOM 721 C ILE A 50 3.357 -7.764 -8.274 1.00 0.00 C ATOM 722 O ILE A 50 4.148 -8.478 -8.890 1.00 0.00 O ATOM 723 CB ILE A 50 3.515 -6.879 -5.946 1.00 0.00 C ATOM 724 CG1 ILE A 50 3.826 -5.649 -5.090 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.289 -8.090 -5.444 1.00 0.00 C ATOM 726 CD1 ILE A 50 5.265 -5.195 -5.184 1.00 0.00 C ATOM 0 H ILE A 50 2.640 -4.905 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 50 4.936 -6.513 -7.527 1.00 0.00 H new ATOM 0 HB ILE A 50 2.449 -7.095 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.175 -4.830 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.591 -5.872 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.039 -8.274 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.025 -8.963 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.359 -7.900 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.412 -4.319 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.922 -5.998 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.499 -4.940 -6.217 1.00 0.00 H new ATOM 738 N GLN A 51 2.041 -7.948 -8.304 1.00 0.00 N ATOM 739 CA GLN A 51 1.437 -9.025 -9.081 1.00 0.00 C ATOM 740 C GLN A 51 0.517 -8.466 -10.161 1.00 0.00 C ATOM 741 O GLN A 51 -0.570 -7.960 -9.883 1.00 0.00 O ATOM 742 CB GLN A 51 0.655 -9.967 -8.164 1.00 0.00 C ATOM 743 CG GLN A 51 0.487 -11.367 -8.732 1.00 0.00 C ATOM 744 CD GLN A 51 -0.438 -11.404 -9.932 1.00 0.00 C ATOM 745 OE1 GLN A 51 -1.637 -11.147 -9.814 1.00 0.00 O ATOM 746 NE2 GLN A 51 0.113 -11.723 -11.096 1.00 0.00 N ATOM 0 H GLN A 51 1.373 -7.366 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 51 2.238 -9.584 -9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.166 -10.032 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.330 -9.541 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.463 -11.758 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.095 -12.025 -7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.111 -11.929 -11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.461 -11.763 -11.938 1.00 0.00 H new ATOM 755 N PRO A 52 0.960 -8.561 -11.423 1.00 0.00 N ATOM 756 CA PRO A 52 0.191 -8.070 -12.571 1.00 0.00 C ATOM 757 C PRO A 52 -1.050 -8.913 -12.841 1.00 0.00 C ATOM 758 O PRO A 52 -0.950 -10.098 -13.157 1.00 0.00 O ATOM 759 CB PRO A 52 1.179 -8.184 -13.735 1.00 0.00 C ATOM 760 CG PRO A 52 2.127 -9.258 -13.323 1.00 0.00 C ATOM 761 CD PRO A 52 2.246 -9.153 -11.827 1.00 0.00 C ATOM 0 HA PRO A 52 -0.183 -7.059 -12.409 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.669 -8.441 -14.664 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.699 -7.241 -13.907 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.756 -10.240 -13.617 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.097 -9.127 -13.802 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.401 -10.129 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.087 -8.525 -11.534 1.00 0.00 H new ATOM 769 N GLY A 53 -2.220 -8.295 -12.712 1.00 0.00 N ATOM 770 CA GLY A 53 -3.464 -9.006 -12.946 1.00 0.00 C ATOM 771 C GLY A 53 -4.245 -9.242 -11.669 1.00 0.00 C ATOM 772 O GLY A 53 -4.868 -10.290 -11.500 1.00 0.00 O ATOM 0 H GLY A 53 -2.329 -7.315 -12.450 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.078 -8.437 -13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.248 -9.964 -13.419 1.00 0.00 H new ATOM 776 N SER A 54 -4.210 -8.268 -10.766 1.00 0.00 N ATOM 777 CA SER A 54 -4.916 -8.378 -9.494 1.00 0.00 C ATOM 778 C SER A 54 -5.890 -7.218 -9.312 1.00 0.00 C ATOM 779 O SER A 54 -7.096 -7.423 -9.174 1.00 0.00 O ATOM 780 CB SER A 54 -3.919 -8.407 -8.335 1.00 0.00 C ATOM 781 OG SER A 54 -3.024 -7.311 -8.403 1.00 0.00 O ATOM 0 H SER A 54 -3.700 -7.393 -10.891 1.00 0.00 H new ATOM 0 HA SER A 54 -5.483 -9.309 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.458 -8.382 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.357 -9.341 -8.358 1.00 0.00 H new ATOM 0 HG SER A 54 -2.223 -7.574 -8.902 1.00 0.00 H new ATOM 787 N ILE A 55 -5.358 -6.000 -9.313 1.00 0.00 N ATOM 788 CA ILE A 55 -6.180 -4.808 -9.149 1.00 0.00 C ATOM 789 C ILE A 55 -6.960 -4.498 -10.423 1.00 0.00 C ATOM 790 O ILE A 55 -6.563 -4.896 -11.517 1.00 0.00 O ATOM 791 CB ILE A 55 -5.327 -3.584 -8.771 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.533 -3.862 -7.493 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.209 -2.356 -8.597 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.404 -4.213 -6.307 1.00 0.00 C ATOM 0 H ILE A 55 -4.362 -5.813 -9.426 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.880 -5.016 -8.340 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.622 -3.389 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.837 -4.680 -7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.935 -2.984 -7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.591 -1.499 -8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.733 -2.149 -9.530 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.936 -2.539 -7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.775 -4.397 -5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.082 -3.386 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.983 -5.109 -6.533 1.00 0.00 H new ATOM 806 N ASN A 56 -8.069 -3.782 -10.272 1.00 0.00 N ATOM 807 CA ASN A 56 -8.904 -3.417 -11.410 1.00 0.00 C ATOM 808 C ASN A 56 -9.643 -2.109 -11.145 1.00 0.00 C ATOM 809 O ASN A 56 -10.602 -2.071 -10.375 1.00 0.00 O ATOM 810 CB ASN A 56 -9.908 -4.531 -11.712 1.00 0.00 C ATOM 811 CG ASN A 56 -10.269 -4.601 -13.183 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.404 -4.487 -14.053 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.552 -4.789 -13.469 1.00 0.00 N ATOM 0 H ASN A 56 -8.410 -3.443 -9.373 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.255 -3.279 -12.275 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.491 -5.488 -11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.813 -4.370 -11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.855 -4.844 -14.441 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.235 -4.878 -12.716 1.00 0.00 H new ATOM 820 N TYR A 57 -9.190 -1.038 -11.789 1.00 0.00 N ATOM 821 CA TYR A 57 -9.807 0.272 -11.623 1.00 0.00 C ATOM 822 C TYR A 57 -11.288 0.227 -11.985 1.00 0.00 C ATOM 823 O TYR A 57 -12.099 0.964 -11.424 1.00 0.00 O ATOM 824 CB TYR A 57 -9.090 1.310 -12.486 1.00 0.00 C ATOM 825 CG TYR A 57 -7.606 1.401 -12.217 1.00 0.00 C ATOM 826 CD1 TYR A 57 -7.127 1.794 -10.973 1.00 0.00 C ATOM 827 CD2 TYR A 57 -6.680 1.093 -13.207 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.771 1.880 -10.723 1.00 0.00 C ATOM 829 CE2 TYR A 57 -5.322 1.174 -12.966 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.873 1.568 -11.722 1.00 0.00 C ATOM 831 OH TYR A 57 -3.522 1.650 -11.477 1.00 0.00 O ATOM 0 H TYR A 57 -8.397 -1.052 -12.431 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.717 0.557 -10.575 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.246 1.066 -13.537 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.542 2.287 -12.315 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.827 2.037 -10.188 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.028 0.785 -14.182 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.416 2.190 -9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.616 0.930 -13.746 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.358 2.299 -10.761 1.00 0.00 H new ATOM 841 N ASP A 58 -11.633 -0.644 -12.927 1.00 0.00 N ATOM 842 CA ASP A 58 -13.017 -0.788 -13.365 1.00 0.00 C ATOM 843 C ASP A 58 -13.952 -0.941 -12.170 1.00 0.00 C ATOM 844 O ASP A 58 -15.065 -0.414 -12.167 1.00 0.00 O ATOM 845 CB ASP A 58 -13.157 -1.994 -14.295 1.00 0.00 C ATOM 846 CG ASP A 58 -14.270 -1.816 -15.310 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.489 -0.671 -15.756 1.00 0.00 O ATOM 848 OD2 ASP A 58 -14.924 -2.822 -15.655 1.00 0.00 O ATOM 0 H ASP A 58 -10.974 -1.261 -13.402 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.296 0.115 -13.909 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.215 -2.157 -14.818 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.350 -2.887 -13.701 1.00 0.00 H new ATOM 853 N LEU A 59 -13.494 -1.667 -11.155 1.00 0.00 N ATOM 854 CA LEU A 59 -14.290 -1.891 -9.954 1.00 0.00 C ATOM 855 C LEU A 59 -14.063 -0.779 -8.935 1.00 0.00 C ATOM 856 O LEU A 59 -14.974 -0.405 -8.195 1.00 0.00 O ATOM 857 CB LEU A 59 -13.942 -3.246 -9.332 1.00 0.00 C ATOM 858 CG LEU A 59 -13.706 -4.393 -10.315 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.335 -5.666 -9.569 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.940 -4.619 -11.177 1.00 0.00 C ATOM 0 H LEU A 59 -12.575 -2.110 -11.141 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.342 -1.888 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.046 -3.125 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.749 -3.532 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.876 -4.123 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.171 -6.472 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.424 -5.499 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.145 -5.940 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.754 -5.439 -11.871 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.788 -4.868 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.162 -3.712 -11.739 1.00 0.00 H new ATOM 872 N LEU A 60 -12.844 -0.251 -8.904 1.00 0.00 N ATOM 873 CA LEU A 60 -12.497 0.821 -7.978 1.00 0.00 C ATOM 874 C LEU A 60 -13.239 2.107 -8.331 1.00 0.00 C ATOM 875 O LEU A 60 -13.854 2.209 -9.393 1.00 0.00 O ATOM 876 CB LEU A 60 -10.989 1.067 -7.994 1.00 0.00 C ATOM 877 CG LEU A 60 -10.105 -0.157 -7.756 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.635 0.216 -7.858 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.407 -0.776 -6.398 1.00 0.00 C ATOM 0 H LEU A 60 -12.079 -0.548 -9.510 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.797 0.514 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.722 1.500 -8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.755 1.812 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.325 -0.895 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.022 -0.669 -7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.428 0.612 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.399 0.972 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.769 -1.646 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.216 -0.043 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.453 -1.082 -6.362 1.00 0.00 H new ATOM 891 N LYS A 61 -13.173 3.087 -7.437 1.00 0.00 N ATOM 892 CA LYS A 61 -13.834 4.368 -7.655 1.00 0.00 C ATOM 893 C LYS A 61 -12.814 5.461 -7.962 1.00 0.00 C ATOM 894 O LYS A 61 -12.850 6.077 -9.028 1.00 0.00 O ATOM 895 CB LYS A 61 -14.657 4.756 -6.426 1.00 0.00 C ATOM 896 CG LYS A 61 -16.046 4.139 -6.405 1.00 0.00 C ATOM 897 CD LYS A 61 -15.991 2.651 -6.102 1.00 0.00 C ATOM 898 CE LYS A 61 -17.298 2.156 -5.504 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.420 2.513 -4.063 1.00 0.00 N ATOM 0 H LYS A 61 -12.668 3.019 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.499 4.264 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.119 4.451 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.750 5.841 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.657 4.642 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.530 4.297 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.777 2.100 -7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.173 2.449 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.135 2.584 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.362 1.074 -5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.379 2.868 -3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.241 1.670 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.725 3.251 -3.828 1.00 0.00 H new ATOM 913 N THR A 62 -11.904 5.696 -7.022 1.00 0.00 N ATOM 914 CA THR A 62 -10.876 6.714 -7.192 1.00 0.00 C ATOM 915 C THR A 62 -11.460 7.996 -7.773 1.00 0.00 C ATOM 916 O THR A 62 -10.785 8.723 -8.499 1.00 0.00 O ATOM 917 CB THR A 62 -9.742 6.219 -8.110 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.805 7.276 -8.345 1.00 0.00 O ATOM 919 CG2 THR A 62 -10.298 5.722 -9.436 1.00 0.00 C ATOM 0 H THR A 62 -11.858 5.195 -6.135 1.00 0.00 H new ATOM 0 HA THR A 62 -10.470 6.920 -6.202 1.00 0.00 H new ATOM 0 HB THR A 62 -9.237 5.391 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.268 8.040 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.479 5.378 -10.068 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.988 4.898 -9.255 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.826 6.534 -9.937 1.00 0.00 H new ATOM 927 N GLU A 63 -12.721 8.267 -7.446 1.00 0.00 N ATOM 928 CA GLU A 63 -13.396 9.463 -7.936 1.00 0.00 C ATOM 929 C GLU A 63 -14.250 10.093 -6.840 1.00 0.00 C ATOM 930 O GLU A 63 -15.180 9.470 -6.329 1.00 0.00 O ATOM 931 CB GLU A 63 -14.268 9.122 -9.146 1.00 0.00 C ATOM 932 CG GLU A 63 -15.264 8.006 -8.884 1.00 0.00 C ATOM 933 CD GLU A 63 -15.985 7.559 -10.141 1.00 0.00 C ATOM 934 OE1 GLU A 63 -16.266 8.420 -11.001 1.00 0.00 O ATOM 935 OE2 GLU A 63 -16.267 6.349 -10.266 1.00 0.00 O ATOM 0 H GLU A 63 -13.294 7.675 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.635 10.183 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.810 10.016 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.624 8.835 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.743 7.154 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.996 8.343 -8.150 1.00 0.00 H new ATOM 942 N ASN A 64 -13.927 11.333 -6.486 1.00 0.00 N ATOM 943 CA ASN A 64 -14.663 12.047 -5.450 1.00 0.00 C ATOM 944 C ASN A 64 -15.133 11.091 -4.357 1.00 0.00 C ATOM 945 O ASN A 64 -16.267 11.180 -3.884 1.00 0.00 O ATOM 946 CB ASN A 64 -15.865 12.773 -6.058 1.00 0.00 C ATOM 947 CG ASN A 64 -16.869 11.817 -6.672 1.00 0.00 C ATOM 948 OD1 ASN A 64 -17.703 11.242 -5.973 1.00 0.00 O ATOM 949 ND2 ASN A 64 -16.792 11.642 -7.986 1.00 0.00 N ATOM 0 H ASN A 64 -13.161 11.863 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.991 12.780 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.357 13.365 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.517 13.469 -6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.441 11.010 -8.455 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.084 12.140 -8.526 1.00 0.00 H new ATOM 956 N LEU A 65 -14.254 10.177 -3.961 1.00 0.00 N ATOM 957 CA LEU A 65 -14.577 9.204 -2.924 1.00 0.00 C ATOM 958 C LEU A 65 -15.095 9.898 -1.667 1.00 0.00 C ATOM 959 O LEU A 65 -14.829 11.078 -1.444 1.00 0.00 O ATOM 960 CB LEU A 65 -13.346 8.363 -2.584 1.00 0.00 C ATOM 961 CG LEU A 65 -12.911 7.350 -3.643 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.416 7.090 -3.553 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.690 6.052 -3.492 1.00 0.00 C ATOM 0 H LEU A 65 -13.312 10.090 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.362 8.551 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.512 9.038 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.543 7.826 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.127 7.768 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.126 6.366 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.874 8.022 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.174 6.695 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.367 5.343 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.507 5.631 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.755 6.251 -3.610 1.00 0.00 H new ATOM 975 N ASN A 66 -15.835 9.156 -0.850 1.00 0.00 N ATOM 976 CA ASN A 66 -16.389 9.700 0.384 1.00 0.00 C ATOM 977 C ASN A 66 -16.406 8.643 1.485 1.00 0.00 C ATOM 978 O ASN A 66 -16.156 7.465 1.231 1.00 0.00 O ATOM 979 CB ASN A 66 -17.806 10.225 0.144 1.00 0.00 C ATOM 980 CG ASN A 66 -18.847 9.122 0.188 1.00 0.00 C ATOM 981 OD1 ASN A 66 -19.576 8.980 1.170 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.919 8.334 -0.879 1.00 0.00 N ATOM 0 H ASN A 66 -16.065 8.177 -1.020 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.753 10.525 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.045 10.976 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.847 10.721 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.599 7.574 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.294 8.489 -1.670 1.00 0.00 H new ATOM 989 N ASP A 67 -16.702 9.074 2.706 1.00 0.00 N ATOM 990 CA ASP A 67 -16.754 8.165 3.846 1.00 0.00 C ATOM 991 C ASP A 67 -17.342 6.818 3.440 1.00 0.00 C ATOM 992 O ASP A 67 -16.958 5.776 3.972 1.00 0.00 O ATOM 993 CB ASP A 67 -17.582 8.778 4.976 1.00 0.00 C ATOM 994 CG ASP A 67 -17.523 7.955 6.248 1.00 0.00 C ATOM 995 OD1 ASP A 67 -16.452 7.929 6.890 1.00 0.00 O ATOM 996 OD2 ASP A 67 -18.549 7.337 6.602 1.00 0.00 O ATOM 0 H ASP A 67 -16.910 10.047 2.932 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.735 8.004 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.221 9.786 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.619 8.870 4.654 1.00 0.00 H new ATOM 1001 N ASP A 68 -18.277 6.846 2.497 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.919 5.627 2.019 1.00 0.00 C ATOM 1003 C ASP A 68 -18.009 4.877 1.051 1.00 0.00 C ATOM 1004 O ASP A 68 -17.513 3.794 1.364 1.00 0.00 O ATOM 1005 CB ASP A 68 -20.247 5.958 1.337 1.00 0.00 C ATOM 1006 CG ASP A 68 -21.386 6.103 2.327 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -22.001 5.075 2.677 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.663 7.245 2.751 1.00 0.00 O ATOM 0 H ASP A 68 -18.608 7.700 2.048 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.111 4.986 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.141 6.884 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.490 5.173 0.621 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.795 5.459 -0.124 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.946 4.844 -1.137 1.00 0.00 C ATOM 1015 C GLU A 69 -15.556 4.553 -0.580 1.00 0.00 C ATOM 1016 O GLU A 69 -15.086 3.416 -0.612 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.835 5.753 -2.363 1.00 0.00 C ATOM 1018 CG GLU A 69 -18.179 6.203 -2.910 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.732 5.252 -3.953 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -19.269 4.193 -3.564 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.627 5.564 -5.157 1.00 0.00 O ATOM 0 H GLU A 69 -18.198 6.355 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.405 3.901 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -16.246 6.632 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.291 5.227 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.891 6.290 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -18.075 7.196 -3.348 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.901 5.590 -0.067 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.565 5.448 0.499 1.00 0.00 C ATOM 1030 C LYS A 70 -13.416 4.109 1.213 1.00 0.00 C ATOM 1031 O LYS A 70 -12.410 3.416 1.053 1.00 0.00 O ATOM 1032 CB LYS A 70 -13.278 6.593 1.473 1.00 0.00 C ATOM 1033 CG LYS A 70 -13.243 7.960 0.814 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.995 9.063 1.828 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.509 9.328 2.012 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.244 10.228 3.168 1.00 0.00 N ATOM 0 H LYS A 70 -15.275 6.538 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.845 5.485 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.040 6.595 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.321 6.411 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.460 7.979 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.188 8.142 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.491 9.977 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.437 8.785 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.987 8.383 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.105 9.775 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.307 10.666 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.972 10.970 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.268 9.677 4.050 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.423 3.748 2.000 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.405 2.490 2.738 1.00 0.00 C ATOM 1052 C LEU A 71 -14.261 1.304 1.789 1.00 0.00 C ATOM 1053 O LEU A 71 -13.310 0.530 1.889 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.683 2.343 3.566 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.944 0.956 4.158 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.821 0.561 5.105 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.285 0.927 4.877 1.00 0.00 C ATOM 0 H LEU A 71 -15.263 4.309 2.144 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.545 2.502 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.648 3.064 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.532 2.614 2.938 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.976 0.233 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.023 -0.428 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.876 0.542 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.758 1.286 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.454 -0.067 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.282 1.661 5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -18.081 1.166 4.172 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.210 1.171 0.869 1.00 0.00 N ATOM 1070 CA ASN A 72 -15.187 0.080 -0.099 1.00 0.00 C ATOM 1071 C ASN A 72 -13.775 -0.146 -0.630 1.00 0.00 C ATOM 1072 O ASN A 72 -13.303 -1.280 -0.700 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.138 0.382 -1.260 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.585 0.475 -0.813 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.343 -0.487 -0.924 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.972 1.639 -0.305 1.00 0.00 N ATOM 0 H ASN A 72 -16.004 1.804 0.773 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.516 -0.828 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.845 1.320 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.043 -0.398 -2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.933 1.762 0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.308 2.410 -0.232 1.00 0.00 H new ATOM 1083 N ASN A 73 -13.106 0.940 -1.002 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.748 0.860 -1.526 1.00 0.00 C ATOM 1085 C ASN A 73 -10.788 0.319 -0.470 1.00 0.00 C ATOM 1086 O ASN A 73 -9.829 -0.383 -0.789 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.279 2.237 -2.000 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.696 2.530 -3.428 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.428 1.755 -4.044 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.231 3.653 -3.961 1.00 0.00 N ATOM 0 H ASN A 73 -13.483 1.887 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.753 0.174 -2.373 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.687 3.003 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.193 2.295 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.478 3.903 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.627 4.266 -3.413 1.00 0.00 H new ATOM 1097 N ALA A 74 -11.055 0.651 0.789 1.00 0.00 N ATOM 1098 CA ALA A 74 -10.218 0.196 1.892 1.00 0.00 C ATOM 1099 C ALA A 74 -10.423 -1.290 2.161 1.00 0.00 C ATOM 1100 O ALA A 74 -9.467 -2.025 2.414 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.511 1.007 3.146 1.00 0.00 C ATOM 0 H ALA A 74 -11.844 1.233 1.070 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.176 0.346 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.879 0.657 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.306 2.060 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.559 0.886 3.421 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.676 -1.730 2.106 1.00 0.00 N ATOM 1108 CA LYS A 75 -12.009 -3.129 2.344 1.00 0.00 C ATOM 1109 C LYS A 75 -11.426 -4.020 1.251 1.00 0.00 C ATOM 1110 O LYS A 75 -11.053 -5.166 1.503 1.00 0.00 O ATOM 1111 CB LYS A 75 -13.526 -3.311 2.408 1.00 0.00 C ATOM 1112 CG LYS A 75 -14.172 -2.620 3.598 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.618 -2.255 3.313 1.00 0.00 C ATOM 1114 CE LYS A 75 -16.503 -3.491 3.246 1.00 0.00 C ATOM 1115 NZ LYS A 75 -16.652 -4.138 4.580 1.00 0.00 N ATOM 0 H LYS A 75 -12.479 -1.136 1.898 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.574 -3.422 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.969 -2.925 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.754 -4.376 2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.126 -3.274 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.610 -1.719 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.985 -1.585 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.678 -1.712 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.486 -3.214 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.077 -4.205 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.435 -4.822 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.771 -4.632 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.854 -3.412 5.297 1.00 0.00 H new ATOM 1129 N TYR A 76 -11.348 -3.485 0.037 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.811 -4.232 -1.094 1.00 0.00 C ATOM 1131 C TYR A 76 -9.290 -4.322 -1.015 1.00 0.00 C ATOM 1132 O TYR A 76 -8.717 -5.406 -1.108 1.00 0.00 O ATOM 1133 CB TYR A 76 -11.226 -3.572 -2.410 1.00 0.00 C ATOM 1134 CG TYR A 76 -11.051 -4.466 -3.617 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.683 -5.701 -3.688 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -10.254 -4.076 -4.686 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.526 -6.522 -4.788 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -10.092 -4.890 -5.791 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.730 -6.112 -5.837 1.00 0.00 C ATOM 1140 OH TYR A 76 -10.569 -6.926 -6.935 1.00 0.00 O ATOM 0 H TYR A 76 -11.650 -2.537 -0.189 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.219 -5.242 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.271 -3.269 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.639 -2.664 -2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.308 -6.025 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.752 -3.120 -4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.024 -7.480 -4.826 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.469 -4.571 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.979 -6.488 -7.583 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.645 -3.174 -0.842 1.00 0.00 N ATOM 1151 CA ALA A 77 -7.191 -3.122 -0.746 1.00 0.00 C ATOM 1152 C ALA A 77 -6.664 -4.199 0.196 1.00 0.00 C ATOM 1153 O ALA A 77 -5.847 -5.033 -0.195 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.741 -1.744 -0.283 1.00 0.00 C ATOM 0 H ALA A 77 -9.106 -2.267 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.779 -3.311 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.653 -1.720 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.077 -0.992 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.170 -1.531 0.696 1.00 0.00 H new ATOM 1160 N ILE A 78 -7.135 -4.174 1.438 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.710 -5.149 2.435 1.00 0.00 C ATOM 1162 C ILE A 78 -6.935 -6.573 1.942 1.00 0.00 C ATOM 1163 O ILE A 78 -6.106 -7.456 2.162 1.00 0.00 O ATOM 1164 CB ILE A 78 -7.460 -4.954 3.767 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -7.162 -3.570 4.347 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -7.073 -6.043 4.755 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.942 -3.263 5.607 1.00 0.00 C ATOM 0 H ILE A 78 -7.811 -3.490 1.778 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.644 -4.989 2.600 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.531 -5.025 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.096 -3.497 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.388 -2.813 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.610 -5.893 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.331 -7.018 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.000 -6.000 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.681 -2.266 5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.010 -3.304 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.698 -3.998 6.374 1.00 0.00 H new ATOM 1179 N SER A 79 -8.062 -6.791 1.271 1.00 0.00 N ATOM 1180 CA SER A 79 -8.397 -8.109 0.747 1.00 0.00 C ATOM 1181 C SER A 79 -7.364 -8.564 -0.281 1.00 0.00 C ATOM 1182 O SER A 79 -6.914 -9.709 -0.259 1.00 0.00 O ATOM 1183 CB SER A 79 -9.789 -8.091 0.114 1.00 0.00 C ATOM 1184 OG SER A 79 -10.263 -9.407 -0.115 1.00 0.00 O ATOM 0 H SER A 79 -8.758 -6.071 1.078 1.00 0.00 H new ATOM 0 HA SER A 79 -8.393 -8.815 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.482 -7.560 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.756 -7.544 -0.828 1.00 0.00 H new ATOM 0 HG SER A 79 -11.155 -9.368 -0.519 1.00 0.00 H new ATOM 1190 N MET A 80 -6.996 -7.658 -1.181 1.00 0.00 N ATOM 1191 CA MET A 80 -6.016 -7.965 -2.217 1.00 0.00 C ATOM 1192 C MET A 80 -4.663 -8.305 -1.601 1.00 0.00 C ATOM 1193 O MET A 80 -4.144 -9.404 -1.789 1.00 0.00 O ATOM 1194 CB MET A 80 -5.871 -6.782 -3.178 1.00 0.00 C ATOM 1195 CG MET A 80 -6.925 -6.756 -4.272 1.00 0.00 C ATOM 1196 SD MET A 80 -6.509 -7.823 -5.664 1.00 0.00 S ATOM 1197 CE MET A 80 -8.063 -8.678 -5.912 1.00 0.00 C ATOM 0 H MET A 80 -7.361 -6.706 -1.214 1.00 0.00 H new ATOM 0 HA MET A 80 -6.370 -8.833 -2.773 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.926 -5.854 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.883 -6.816 -3.637 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.883 -7.066 -3.855 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.048 -5.733 -4.628 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.955 -9.721 -5.616 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.838 -8.207 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.343 -8.626 -6.964 1.00 0.00 H new ATOM 1207 N ALA A 81 -4.096 -7.353 -0.867 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.804 -7.553 -0.223 1.00 0.00 C ATOM 1209 C ALA A 81 -2.709 -8.942 0.398 1.00 0.00 C ATOM 1210 O ALA A 81 -1.691 -9.622 0.268 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.569 -6.483 0.833 1.00 0.00 C ATOM 0 H ALA A 81 -4.511 -6.436 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.030 -7.471 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.600 -6.645 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.584 -5.499 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.354 -6.537 1.587 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.775 -9.357 1.073 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.811 -10.665 1.717 1.00 0.00 C ATOM 1219 C ARG A 82 -3.959 -11.776 0.681 1.00 0.00 C ATOM 1220 O ARG A 82 -3.286 -12.805 0.757 1.00 0.00 O ATOM 1221 CB ARG A 82 -4.964 -10.732 2.721 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.015 -12.034 3.503 1.00 0.00 C ATOM 1223 CD ARG A 82 -5.857 -11.895 4.762 1.00 0.00 C ATOM 1224 NE ARG A 82 -5.846 -13.116 5.564 1.00 0.00 N ATOM 1225 CZ ARG A 82 -6.485 -14.228 5.218 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -7.180 -14.274 4.090 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -6.429 -15.298 6.001 1.00 0.00 N ATOM 0 H ARG A 82 -4.626 -8.807 1.189 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.869 -10.808 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.874 -9.901 3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.906 -10.600 2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.428 -12.822 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.003 -12.338 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.481 -11.065 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.883 -11.651 4.487 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.319 -13.115 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.225 -13.454 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.670 -15.129 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.895 -15.267 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.920 -16.151 5.734 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.846 -11.563 -0.285 1.00 0.00 N ATOM 1242 CA LYS A 83 -5.083 -12.545 -1.337 1.00 0.00 C ATOM 1243 C LYS A 83 -3.770 -12.996 -1.967 1.00 0.00 C ATOM 1244 O LYS A 83 -3.541 -14.189 -2.162 1.00 0.00 O ATOM 1245 CB LYS A 83 -6.003 -11.960 -2.411 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.839 -13.003 -3.131 1.00 0.00 C ATOM 1247 CD LYS A 83 -8.152 -13.259 -2.410 1.00 0.00 C ATOM 1248 CE LYS A 83 -9.231 -12.284 -2.855 1.00 0.00 C ATOM 1249 NZ LYS A 83 -10.598 -12.836 -2.648 1.00 0.00 N ATOM 0 H LYS A 83 -5.413 -10.719 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.566 -13.413 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.668 -11.230 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.398 -11.423 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.041 -12.670 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.276 -13.934 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.481 -14.280 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.001 -13.170 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.128 -11.351 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.092 -12.045 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.304 -12.141 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.705 -13.713 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.741 -13.040 -1.638 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.909 -12.033 -2.282 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.617 -12.331 -2.887 1.00 0.00 C ATOM 1265 C ILE A 84 -0.665 -12.954 -1.872 1.00 0.00 C ATOM 1266 O ILE A 84 0.200 -13.754 -2.226 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.966 -11.066 -3.478 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.698 -10.042 -2.373 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.854 -10.469 -4.559 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.275 -8.958 -2.778 1.00 0.00 C ATOM 0 H ILE A 84 -3.083 -11.040 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.802 -13.043 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.014 -11.342 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.641 -9.581 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.309 -10.559 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.380 -9.576 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.998 -11.199 -5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.820 -10.204 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.418 -8.268 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.231 -9.408 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.122 -8.415 -3.636 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.832 -12.581 -0.606 1.00 0.00 N ATOM 1283 CA GLY A 85 0.019 -13.114 0.442 1.00 0.00 C ATOM 1284 C GLY A 85 0.681 -12.023 1.260 1.00 0.00 C ATOM 1285 O GLY A 85 1.742 -11.518 0.893 1.00 0.00 O ATOM 0 H GLY A 85 -1.541 -11.920 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.574 -13.749 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.787 -13.747 -0.004 1.00 0.00 H new ATOM 1289 N ALA A 86 0.054 -11.657 2.374 1.00 0.00 N ATOM 1290 CA ALA A 86 0.589 -10.621 3.247 1.00 0.00 C ATOM 1291 C ALA A 86 -0.250 -10.482 4.513 1.00 0.00 C ATOM 1292 O ALA A 86 -1.472 -10.630 4.478 1.00 0.00 O ATOM 1293 CB ALA A 86 0.658 -9.292 2.508 1.00 0.00 C ATOM 0 H ALA A 86 -0.826 -12.064 2.692 1.00 0.00 H new ATOM 0 HA ALA A 86 1.597 -10.913 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.060 -8.527 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.306 -9.393 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.342 -9.003 2.185 1.00 0.00 H new ATOM 1299 N ARG A 87 0.413 -10.197 5.629 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.272 -10.040 6.905 1.00 0.00 C ATOM 1301 C ARG A 87 -0.756 -8.605 7.090 1.00 0.00 C ATOM 1302 O ARG A 87 -0.037 -7.761 7.626 1.00 0.00 O ATOM 1303 CB ARG A 87 0.657 -10.430 8.058 1.00 0.00 C ATOM 1304 CG ARG A 87 0.847 -11.931 8.206 1.00 0.00 C ATOM 1305 CD ARG A 87 -0.475 -12.638 8.459 1.00 0.00 C ATOM 1306 NE ARG A 87 -0.282 -13.999 8.951 1.00 0.00 N ATOM 1307 CZ ARG A 87 -1.275 -14.862 9.133 1.00 0.00 C ATOM 1308 NH1 ARG A 87 -2.523 -14.508 8.865 1.00 0.00 N ATOM 1309 NH2 ARG A 87 -1.019 -16.083 9.585 1.00 0.00 N ATOM 0 H ARG A 87 1.424 -10.070 5.675 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.139 -10.700 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.630 -9.963 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.255 -10.030 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.308 -12.331 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.532 -12.133 9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.057 -12.069 9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.054 -12.665 7.536 1.00 0.00 H new ATOM 0 HE ARG A 87 0.667 -14.304 9.167 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.724 -13.570 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.283 -15.173 9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.059 -16.359 9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.782 -16.745 9.725 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.979 -8.336 6.643 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.558 -7.003 6.760 1.00 0.00 C ATOM 1325 C VAL A 88 -2.796 -6.633 8.220 1.00 0.00 C ATOM 1326 O VAL A 88 -2.460 -5.531 8.654 1.00 0.00 O ATOM 1327 CB VAL A 88 -3.890 -6.902 5.992 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.652 -7.000 4.493 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -4.857 -7.981 6.458 1.00 0.00 C ATOM 0 H VAL A 88 -2.587 -9.023 6.197 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.841 -6.306 6.325 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.337 -5.930 6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.604 -6.927 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.998 -6.188 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.182 -7.956 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.792 -7.895 5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.419 -8.963 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.053 -7.859 7.523 1.00 0.00 H new ATOM 1339 N TYR A 89 -3.376 -7.561 8.972 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.660 -7.332 10.384 1.00 0.00 C ATOM 1341 C TYR A 89 -4.074 -5.884 10.628 1.00 0.00 C ATOM 1342 O TYR A 89 -3.669 -5.269 11.613 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.437 -7.675 11.234 1.00 0.00 C ATOM 1344 CG TYR A 89 -2.778 -8.103 12.644 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -3.190 -9.403 12.915 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -2.691 -7.210 13.704 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -3.504 -9.799 14.200 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -3.002 -7.598 14.992 1.00 0.00 C ATOM 1349 CZ TYR A 89 -3.408 -8.893 15.236 1.00 0.00 C ATOM 1350 OH TYR A 89 -3.719 -9.284 16.518 1.00 0.00 O ATOM 0 H TYR A 89 -3.659 -8.479 8.628 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.487 -7.981 10.672 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.879 -8.474 10.746 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.780 -6.807 11.276 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.266 -10.115 12.107 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.375 -6.194 13.518 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.823 -10.813 14.393 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.928 -6.891 15.805 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.598 -8.528 17.129 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.886 -5.347 9.723 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.359 -3.973 9.840 1.00 0.00 C ATOM 1362 C ALA A 90 -6.864 -3.888 9.609 1.00 0.00 C ATOM 1363 O ALA A 90 -7.523 -4.900 9.364 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.620 -3.076 8.857 1.00 0.00 C ATOM 0 H ALA A 90 -5.230 -5.843 8.901 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.155 -3.629 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.983 -2.053 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.552 -3.104 9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.796 -3.428 7.840 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.403 -2.677 9.690 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.831 -2.460 9.490 1.00 0.00 C ATOM 1372 C LEU A 91 -9.077 -1.406 8.415 1.00 0.00 C ATOM 1373 O LEU A 91 -8.439 -0.354 8.385 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.490 -2.030 10.802 1.00 0.00 C ATOM 1375 CG LEU A 91 -11.008 -2.202 10.879 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.372 -3.672 11.020 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.578 -1.396 12.037 1.00 0.00 C ATOM 0 H LEU A 91 -6.872 -1.830 9.893 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.273 -3.400 9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.038 -2.598 11.615 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.254 -0.980 10.977 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.444 -1.828 9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.456 -3.775 11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.997 -4.224 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.924 -4.072 11.930 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.659 -1.530 12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.135 -1.739 12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.349 -0.340 11.893 1.00 0.00 H new ATOM 1389 N PRO A 92 -10.026 -1.692 7.511 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.380 -0.780 6.420 1.00 0.00 C ATOM 1391 C PRO A 92 -11.094 0.471 6.919 1.00 0.00 C ATOM 1392 O PRO A 92 -11.268 1.436 6.174 1.00 0.00 O ATOM 1393 CB PRO A 92 -11.317 -1.619 5.547 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.900 -2.628 6.477 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.826 -2.928 7.486 1.00 0.00 C ATOM 0 HA PRO A 92 -9.499 -0.413 5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.094 -1.003 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.775 -2.099 4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.795 -2.240 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.194 -3.530 5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.247 -3.154 8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.226 -3.789 7.190 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.507 0.448 8.182 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.203 1.582 8.779 1.00 0.00 C ATOM 1405 C GLU A 93 -11.217 2.675 9.181 1.00 0.00 C ATOM 1406 O GLU A 93 -11.577 3.848 9.271 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.007 1.130 9.999 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.177 0.224 9.657 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.282 0.280 10.693 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -14.962 0.285 11.900 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -16.466 0.318 10.298 1.00 0.00 O ATOM 0 H GLU A 93 -11.372 -0.343 8.812 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.886 1.990 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.343 0.607 10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.381 2.010 10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.580 0.509 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.822 -0.802 9.566 1.00 0.00 H new ATOM 1418 N ASP A 94 -9.972 2.280 9.423 1.00 0.00 N ATOM 1419 CA ASP A 94 -8.933 3.226 9.815 1.00 0.00 C ATOM 1420 C ASP A 94 -8.144 3.702 8.600 1.00 0.00 C ATOM 1421 O ASP A 94 -7.687 4.845 8.552 1.00 0.00 O ATOM 1422 CB ASP A 94 -7.988 2.584 10.832 1.00 0.00 C ATOM 1423 CG ASP A 94 -8.730 1.929 11.980 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.520 2.626 12.650 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.520 0.719 12.208 1.00 0.00 O ATOM 0 H ASP A 94 -9.658 1.312 9.355 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.416 4.089 10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.371 1.839 10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.313 3.344 11.226 1.00 0.00 H new ATOM 1430 N LEU A 95 -7.989 2.820 7.619 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.255 3.151 6.402 1.00 0.00 C ATOM 1432 C LEU A 95 -7.861 4.369 5.713 1.00 0.00 C ATOM 1433 O LEU A 95 -7.150 5.174 5.112 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.253 1.958 5.444 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.668 2.214 4.055 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.231 2.704 4.163 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.740 0.954 3.205 1.00 0.00 C ATOM 0 H LEU A 95 -8.361 1.871 7.642 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.228 3.388 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.693 1.146 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.279 1.611 5.326 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.260 2.990 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.831 2.881 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.205 3.632 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.627 1.950 4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.319 1.155 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.172 0.158 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.780 0.645 3.099 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.181 4.500 5.808 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.884 5.622 5.197 1.00 0.00 C ATOM 1451 C VAL A 96 -9.438 6.947 5.808 1.00 0.00 C ATOM 1452 O VAL A 96 -9.505 7.992 5.162 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.410 5.483 5.357 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.103 6.796 5.026 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.936 4.357 4.480 1.00 0.00 C ATOM 0 H VAL A 96 -9.785 3.843 6.302 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.636 5.612 4.136 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.629 5.236 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.180 6.679 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.746 7.575 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.880 7.076 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.015 4.272 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.707 4.572 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.463 3.419 4.770 1.00 0.00 H new ATOM 1465 N GLU A 97 -8.985 6.894 7.056 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.529 8.091 7.754 1.00 0.00 C ATOM 1467 C GLU A 97 -7.007 8.114 7.856 1.00 0.00 C ATOM 1468 O GLU A 97 -6.443 8.732 8.760 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.146 8.160 9.152 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.640 8.441 9.145 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.097 9.194 10.379 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -10.821 8.720 11.500 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -11.733 10.258 10.223 1.00 0.00 O ATOM 0 H GLU A 97 -8.924 6.036 7.605 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.851 8.960 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.965 7.217 9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.641 8.938 9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.893 9.019 8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.183 7.498 9.077 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.346 7.435 6.924 1.00 0.00 N ATOM 1481 CA VAL A 98 -4.890 7.377 6.908 1.00 0.00 C ATOM 1482 C VAL A 98 -4.329 7.250 8.320 1.00 0.00 C ATOM 1483 O VAL A 98 -3.460 8.020 8.725 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.285 8.626 6.239 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.776 8.485 6.109 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -4.926 8.863 4.880 1.00 0.00 C ATOM 0 H VAL A 98 -6.797 6.917 6.170 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.616 6.495 6.330 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.491 9.491 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.367 9.377 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.335 8.366 7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.543 7.611 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.488 9.749 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.752 7.998 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.999 9.012 5.005 1.00 0.00 H new ATOM 1496 N ASN A 99 -4.834 6.272 9.066 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.384 6.044 10.434 1.00 0.00 C ATOM 1498 C ASN A 99 -2.960 5.496 10.454 1.00 0.00 C ATOM 1499 O ASN A 99 -2.679 4.409 9.947 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.326 5.072 11.147 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.474 5.782 11.837 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.294 6.413 12.879 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.665 5.681 11.258 1.00 0.00 N ATOM 0 H ASN A 99 -5.555 5.625 8.746 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.394 7.000 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.724 4.360 10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.763 4.498 11.883 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.476 6.137 11.677 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.769 5.148 10.395 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.039 6.264 11.054 1.00 0.00 N ATOM 1511 CA PRO A 100 -0.628 5.876 11.156 1.00 0.00 C ATOM 1512 C PRO A 100 -0.417 4.707 12.111 1.00 0.00 C ATOM 1513 O PRO A 100 0.624 4.049 12.082 1.00 0.00 O ATOM 1514 CB PRO A 100 0.047 7.138 11.698 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.031 7.864 12.426 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.303 7.571 11.680 1.00 0.00 C ATOM 0 HA PRO A 100 -0.227 5.538 10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.875 6.890 12.362 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.457 7.745 10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.099 7.527 13.460 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.832 8.935 12.452 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.161 7.529 12.350 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.517 8.337 10.935 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.410 4.451 12.956 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.333 3.359 13.919 1.00 0.00 C ATOM 1526 C LYS A 101 -1.750 2.040 13.279 1.00 0.00 C ATOM 1527 O LYS A 101 -1.546 0.969 13.850 1.00 0.00 O ATOM 1528 CB LYS A 101 -2.223 3.655 15.128 1.00 0.00 C ATOM 1529 CG LYS A 101 -3.691 3.831 14.775 1.00 0.00 C ATOM 1530 CD LYS A 101 -4.394 2.492 14.634 1.00 0.00 C ATOM 1531 CE LYS A 101 -5.878 2.607 14.948 1.00 0.00 C ATOM 1532 NZ LYS A 101 -6.606 3.394 13.914 1.00 0.00 N ATOM 0 H LYS A 101 -2.278 4.985 12.993 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.298 3.271 14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.126 2.842 15.848 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.865 4.560 15.619 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.184 4.422 15.547 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.778 4.389 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.264 2.116 13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.934 1.766 15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.313 1.610 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.007 3.080 15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.625 3.201 13.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.434 4.409 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.267 3.123 12.969 1.00 0.00 H new ATOM 1546 N MET A 102 -2.335 2.123 12.087 1.00 0.00 N ATOM 1547 CA MET A 102 -2.777 0.933 11.369 1.00 0.00 C ATOM 1548 C MET A 102 -1.821 0.600 10.230 1.00 0.00 C ATOM 1549 O MET A 102 -1.316 -0.519 10.138 1.00 0.00 O ATOM 1550 CB MET A 102 -4.191 1.141 10.820 1.00 0.00 C ATOM 1551 CG MET A 102 -4.645 0.035 9.881 1.00 0.00 C ATOM 1552 SD MET A 102 -5.787 0.623 8.616 1.00 0.00 S ATOM 1553 CE MET A 102 -4.763 1.825 7.769 1.00 0.00 C ATOM 0 H MET A 102 -2.513 3.001 11.599 1.00 0.00 H new ATOM 0 HA MET A 102 -2.785 0.097 12.069 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.890 1.209 11.654 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.231 2.094 10.292 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.773 -0.409 9.400 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.125 -0.754 10.460 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.936 1.758 6.695 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.016 2.827 8.116 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.713 1.622 7.980 1.00 0.00 H new ATOM 1563 N VAL A 103 -1.575 1.576 9.362 1.00 0.00 N ATOM 1564 CA VAL A 103 -0.678 1.387 8.228 1.00 0.00 C ATOM 1565 C VAL A 103 0.568 0.610 8.639 1.00 0.00 C ATOM 1566 O VAL A 103 1.214 -0.029 7.810 1.00 0.00 O ATOM 1567 CB VAL A 103 -0.252 2.734 7.618 1.00 0.00 C ATOM 1568 CG1 VAL A 103 0.807 2.524 6.547 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -1.458 3.467 7.050 1.00 0.00 C ATOM 0 H VAL A 103 -1.985 2.508 9.423 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.229 0.817 7.480 1.00 0.00 H new ATOM 0 HB VAL A 103 0.180 3.350 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.096 3.487 6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.680 2.044 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.405 1.890 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.138 4.417 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.922 2.858 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.180 3.652 7.846 1.00 0.00 H new ATOM 1579 N MET A 104 0.900 0.670 9.924 1.00 0.00 N ATOM 1580 CA MET A 104 2.069 -0.029 10.446 1.00 0.00 C ATOM 1581 C MET A 104 2.221 -1.397 9.790 1.00 0.00 C ATOM 1582 O MET A 104 3.332 -1.834 9.488 1.00 0.00 O ATOM 1583 CB MET A 104 1.961 -0.187 11.964 1.00 0.00 C ATOM 1584 CG MET A 104 0.713 -0.931 12.409 1.00 0.00 C ATOM 1585 SD MET A 104 0.864 -1.607 14.075 1.00 0.00 S ATOM 1586 CE MET A 104 -0.373 -2.902 14.028 1.00 0.00 C ATOM 0 H MET A 104 0.376 1.196 10.624 1.00 0.00 H new ATOM 0 HA MET A 104 2.952 0.567 10.213 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.840 -0.717 12.330 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.970 0.800 12.426 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.141 -0.255 12.371 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.509 -1.741 11.709 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.860 -2.976 15.001 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.117 -2.667 13.267 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.104 -3.852 13.788 1.00 0.00 H new ATOM 1596 N THR A 105 1.096 -2.072 9.571 1.00 0.00 N ATOM 1597 CA THR A 105 1.105 -3.391 8.952 1.00 0.00 C ATOM 1598 C THR A 105 0.823 -3.300 7.457 1.00 0.00 C ATOM 1599 O THR A 105 1.433 -4.008 6.655 1.00 0.00 O ATOM 1600 CB THR A 105 0.064 -4.324 9.602 1.00 0.00 C ATOM 1601 OG1 THR A 105 -1.141 -3.599 9.873 1.00 0.00 O ATOM 1602 CG2 THR A 105 0.604 -4.920 10.892 1.00 0.00 C ATOM 0 H THR A 105 0.168 -1.726 9.813 1.00 0.00 H new ATOM 0 HA THR A 105 2.101 -3.805 9.107 1.00 0.00 H new ATOM 0 HB THR A 105 -0.149 -5.136 8.907 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.915 -4.166 9.674 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.148 -5.575 11.333 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.505 -5.495 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.842 -4.119 11.591 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.104 -2.422 7.086 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.464 -2.235 5.686 1.00 0.00 C ATOM 1612 C VAL A 106 0.772 -2.248 4.794 1.00 0.00 C ATOM 1613 O VAL A 106 0.906 -3.099 3.914 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.224 -0.912 5.473 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.535 -0.706 3.998 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.499 -0.891 6.303 1.00 0.00 C ATOM 0 H VAL A 106 -0.619 -1.829 7.736 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.114 -3.066 5.413 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.588 -0.091 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.072 0.233 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.605 -0.674 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.152 -1.530 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.023 0.051 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.141 -1.720 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.247 -0.989 7.359 1.00 0.00 H new ATOM 1626 N PHE A 107 1.673 -1.301 5.027 1.00 0.00 N ATOM 1627 CA PHE A 107 2.899 -1.202 4.244 1.00 0.00 C ATOM 1628 C PHE A 107 3.916 -2.248 4.692 1.00 0.00 C ATOM 1629 O PHE A 107 4.430 -3.016 3.880 1.00 0.00 O ATOM 1630 CB PHE A 107 3.501 0.199 4.374 1.00 0.00 C ATOM 1631 CG PHE A 107 2.909 1.197 3.419 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.737 0.878 2.083 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.524 2.452 3.860 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.193 1.794 1.202 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.979 3.373 2.985 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.813 3.043 1.654 1.00 0.00 C ATOM 0 H PHE A 107 1.578 -0.590 5.752 1.00 0.00 H new ATOM 0 HA PHE A 107 2.649 -1.387 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.357 0.555 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.576 0.141 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 107 3.031 -0.098 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.651 2.714 4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.065 1.534 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.684 4.349 3.341 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.387 3.760 0.968 1.00 0.00 H new ATOM 1646 N ALA A 108 4.201 -2.271 5.990 1.00 0.00 N ATOM 1647 CA ALA A 108 5.153 -3.221 6.547 1.00 0.00 C ATOM 1648 C ALA A 108 5.051 -4.574 5.851 1.00 0.00 C ATOM 1649 O ALA A 108 5.999 -5.027 5.209 1.00 0.00 O ATOM 1650 CB ALA A 108 4.930 -3.379 8.044 1.00 0.00 C ATOM 0 H ALA A 108 3.785 -1.641 6.676 1.00 0.00 H new ATOM 0 HA ALA A 108 6.156 -2.829 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.649 -4.092 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.062 -2.415 8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.919 -3.743 8.225 1.00 0.00 H new ATOM 1656 N CYS A 109 3.893 -5.214 5.981 1.00 0.00 N ATOM 1657 CA CYS A 109 3.666 -6.517 5.365 1.00 0.00 C ATOM 1658 C CYS A 109 4.142 -6.523 3.916 1.00 0.00 C ATOM 1659 O CYS A 109 4.665 -7.526 3.427 1.00 0.00 O ATOM 1660 CB CYS A 109 2.183 -6.883 5.429 1.00 0.00 C ATOM 1661 SG CYS A 109 1.122 -5.853 4.387 1.00 0.00 S ATOM 0 H CYS A 109 3.098 -4.852 6.507 1.00 0.00 H new ATOM 0 HA CYS A 109 4.240 -7.259 5.920 1.00 0.00 H new ATOM 0 HB2 CYS A 109 2.064 -7.925 5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.845 -6.805 6.462 1.00 0.00 H new ATOM 0 HG CYS A 109 1.213 -4.613 4.766 1.00 0.00 H new ATOM 1667 N LEU A 110 3.956 -5.399 3.232 1.00 0.00 N ATOM 1668 CA LEU A 110 4.364 -5.275 1.838 1.00 0.00 C ATOM 1669 C LEU A 110 5.867 -5.036 1.730 1.00 0.00 C ATOM 1670 O LEU A 110 6.607 -5.891 1.244 1.00 0.00 O ATOM 1671 CB LEU A 110 3.605 -4.130 1.163 1.00 0.00 C ATOM 1672 CG LEU A 110 2.216 -4.472 0.624 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.472 -3.208 0.225 1.00 0.00 C ATOM 1674 CD2 LEU A 110 2.322 -5.426 -0.557 1.00 0.00 C ATOM 0 H LEU A 110 3.525 -4.560 3.621 1.00 0.00 H new ATOM 0 HA LEU A 110 4.125 -6.210 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.504 -3.315 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.211 -3.756 0.338 1.00 0.00 H new ATOM 0 HG LEU A 110 1.652 -4.966 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.485 -3.472 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.364 -2.560 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.033 -2.685 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.324 -5.658 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.904 -4.959 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.814 -6.345 -0.239 1.00 0.00 H new