USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=23 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 76 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl 142:sc= -0.349 (180deg=-2.11!) USER MOD Set 2.1: A 38 SER OG : rot -93:sc= 1.32 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.276 X(o=0.28,f=-0.0065) USER MOD Single : A 19 THR OG1 : rot 80:sc= 0.0144 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0572) USER MOD Single : A 26 SER OG : rot -32:sc= 0.713 USER MOD Single : A 27 SER OG : rot 9:sc= -5.03! 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 USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.553 (180deg=-1.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -4:sc= 0.672 USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.605 K(o=-0.6,f=-2.9!) USER MOD Single : A 54 SER OG : rot -81:sc= 1.12 USER MOD Single : A 56 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -4:sc= 0.642 USER MOD Single : A 64 ASN : amide:sc= -2.56! C(o=-2.6!,f=-2!) USER MOD Single : A 66 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.1!) USER MOD Single : A 72 ASN : amide:sc= -1.13 K(o=-1.1,f=0.016) USER MOD Single : A 73 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.109 (180deg=-0.564) USER MOD Single : A 79 SER OG : rot 96:sc= 0.146 USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= -0.0669 (180deg=-0.651) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.51! K(o=-2.5!,f=-1.4) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 146:sc= -5.88! (180deg=-10.2!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot -168:sc= 1.25 USER MOD Single : A 109 CYS SG : rot -54:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.299 3.846 7.602 1.00 0.00 N ATOM 93 CA ASP A 10 12.185 4.987 6.702 1.00 0.00 C ATOM 94 C ASP A 10 12.051 4.526 5.254 1.00 0.00 C ATOM 95 O ASP A 10 11.425 5.198 4.433 1.00 0.00 O ATOM 96 CB ASP A 10 13.401 5.903 6.846 1.00 0.00 C ATOM 97 CG ASP A 10 13.242 7.204 6.084 1.00 0.00 C ATOM 98 OD1 ASP A 10 12.457 8.063 6.537 1.00 0.00 O ATOM 99 OD2 ASP A 10 13.899 7.362 5.035 1.00 0.00 O ATOM 0 HA ASP A 10 11.287 5.542 6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.564 6.122 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.289 5.382 6.487 1.00 0.00 H new ATOM 104 N ILE A 11 12.641 3.376 4.948 1.00 0.00 N ATOM 105 CA ILE A 11 12.586 2.825 3.599 1.00 0.00 C ATOM 106 C ILE A 11 11.166 2.403 3.234 1.00 0.00 C ATOM 107 O ILE A 11 10.844 2.223 2.060 1.00 0.00 O ATOM 108 CB ILE A 11 13.524 1.613 3.447 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.717 1.272 1.968 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.970 0.415 4.204 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.967 0.464 1.693 1.00 0.00 C ATOM 0 H ILE A 11 13.163 2.807 5.615 1.00 0.00 H new ATOM 0 HA ILE A 11 12.913 3.615 2.923 1.00 0.00 H new ATOM 0 HB ILE A 11 14.495 1.869 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.849 0.715 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.758 2.197 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.644 -0.433 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.880 0.663 5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.989 0.156 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.040 0.259 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.843 1.028 2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.920 -0.477 2.241 1.00 0.00 H new ATOM 123 N ILE A 12 10.322 2.248 4.248 1.00 0.00 N ATOM 124 CA ILE A 12 8.937 1.852 4.035 1.00 0.00 C ATOM 125 C ILE A 12 8.288 2.687 2.936 1.00 0.00 C ATOM 126 O ILE A 12 7.503 2.180 2.136 1.00 0.00 O ATOM 127 CB ILE A 12 8.106 1.987 5.324 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.741 1.171 6.453 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.673 1.537 5.081 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.014 1.300 7.774 1.00 0.00 C ATOM 0 H ILE A 12 10.574 2.391 5.226 1.00 0.00 H new ATOM 0 HA ILE A 12 8.953 0.805 3.732 1.00 0.00 H new ATOM 0 HB ILE A 12 8.091 3.036 5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.766 0.121 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.775 1.490 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.099 1.639 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.224 2.155 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.668 0.494 4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.519 0.696 8.528 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.012 2.344 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.987 0.954 7.659 1.00 0.00 H new ATOM 142 N VAL A 13 8.625 3.973 2.903 1.00 0.00 N ATOM 143 CA VAL A 13 8.077 4.880 1.900 1.00 0.00 C ATOM 144 C VAL A 13 8.843 4.773 0.587 1.00 0.00 C ATOM 145 O VAL A 13 8.247 4.660 -0.483 1.00 0.00 O ATOM 146 CB VAL A 13 8.114 6.341 2.387 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.751 7.290 1.255 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.182 6.532 3.572 1.00 0.00 C ATOM 0 H VAL A 13 9.274 4.410 3.558 1.00 0.00 H new ATOM 0 HA VAL A 13 7.040 4.585 1.737 1.00 0.00 H new ATOM 0 HB VAL A 13 9.129 6.571 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.782 8.318 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.463 7.171 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.747 7.062 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.221 7.570 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.163 6.284 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.493 5.880 4.388 1.00 0.00 H new ATOM 158 N ASN A 14 10.168 4.811 0.675 1.00 0.00 N ATOM 159 CA ASN A 14 11.017 4.719 -0.507 1.00 0.00 C ATOM 160 C ASN A 14 10.609 3.535 -1.378 1.00 0.00 C ATOM 161 O ASN A 14 10.440 3.673 -2.590 1.00 0.00 O ATOM 162 CB ASN A 14 12.485 4.582 -0.097 1.00 0.00 C ATOM 163 CG ASN A 14 13.429 5.186 -1.118 1.00 0.00 C ATOM 164 OD1 ASN A 14 14.015 4.475 -1.937 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.582 6.505 -1.076 1.00 0.00 N ATOM 0 H ASN A 14 10.678 4.905 1.553 1.00 0.00 H new ATOM 0 HA ASN A 14 10.892 5.634 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.637 5.068 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.725 3.527 0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.204 6.968 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.077 7.055 -0.381 1.00 0.00 H new ATOM 172 N TRP A 15 10.451 2.374 -0.753 1.00 0.00 N ATOM 173 CA TRP A 15 10.062 1.166 -1.472 1.00 0.00 C ATOM 174 C TRP A 15 8.752 1.379 -2.224 1.00 0.00 C ATOM 175 O TRP A 15 8.646 1.059 -3.408 1.00 0.00 O ATOM 176 CB TRP A 15 9.921 -0.007 -0.501 1.00 0.00 C ATOM 177 CG TRP A 15 9.845 -1.339 -1.184 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.892 -2.088 -1.638 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.657 -2.076 -1.493 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.427 -3.248 -2.210 1.00 0.00 N ATOM 181 CE2 TRP A 15 9.060 -3.264 -2.133 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.293 -1.850 -1.289 1.00 0.00 C ATOM 183 CZ2 TRP A 15 8.147 -4.221 -2.571 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.388 -2.799 -1.725 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.817 -3.973 -2.359 1.00 0.00 C ATOM 0 H TRP A 15 10.586 2.243 0.250 1.00 0.00 H new ATOM 0 HA TRP A 15 10.843 0.937 -2.197 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.769 -0.006 0.184 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.024 0.136 0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.933 -1.810 -1.559 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.006 -3.978 -2.624 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.952 -0.950 -0.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.476 -5.126 -3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.331 -2.633 -1.575 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.085 -4.696 -2.687 1.00 0.00 H new ATOM 196 N VAL A 16 7.757 1.921 -1.529 1.00 0.00 N ATOM 197 CA VAL A 16 6.455 2.177 -2.133 1.00 0.00 C ATOM 198 C VAL A 16 6.582 3.085 -3.351 1.00 0.00 C ATOM 199 O VAL A 16 6.053 2.784 -4.420 1.00 0.00 O ATOM 200 CB VAL A 16 5.486 2.824 -1.124 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.149 3.123 -1.785 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.302 1.925 0.088 1.00 0.00 C ATOM 0 H VAL A 16 7.828 2.191 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 16 6.055 1.212 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 16 5.916 3.767 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.478 3.579 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.301 3.808 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.709 2.196 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.615 2.397 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.894 0.965 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.265 1.767 0.573 1.00 0.00 H new ATOM 212 N ASN A 17 7.290 4.198 -3.183 1.00 0.00 N ATOM 213 CA ASN A 17 7.488 5.150 -4.269 1.00 0.00 C ATOM 214 C ASN A 17 8.168 4.482 -5.461 1.00 0.00 C ATOM 215 O ASN A 17 7.731 4.634 -6.601 1.00 0.00 O ATOM 216 CB ASN A 17 8.326 6.336 -3.789 1.00 0.00 C ATOM 217 CG ASN A 17 7.513 7.329 -2.980 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.195 8.419 -3.454 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.173 6.954 -1.752 1.00 0.00 N ATOM 0 H ASN A 17 7.736 4.462 -2.305 1.00 0.00 H new ATOM 0 HA ASN A 17 6.509 5.510 -4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.155 5.970 -3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.760 6.843 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.626 7.580 -1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.459 6.040 -1.400 1.00 0.00 H new ATOM 226 N GLU A 18 9.237 3.743 -5.187 1.00 0.00 N ATOM 227 CA GLU A 18 9.977 3.052 -6.236 1.00 0.00 C ATOM 228 C GLU A 18 9.090 2.038 -6.951 1.00 0.00 C ATOM 229 O GLU A 18 8.845 2.145 -8.152 1.00 0.00 O ATOM 230 CB GLU A 18 11.204 2.349 -5.650 1.00 0.00 C ATOM 231 CG GLU A 18 12.451 3.217 -5.627 1.00 0.00 C ATOM 232 CD GLU A 18 13.686 2.452 -5.195 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.662 1.854 -4.100 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.678 2.451 -5.955 1.00 0.00 O ATOM 0 H GLU A 18 9.610 3.607 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 18 10.306 3.796 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.977 2.027 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.409 1.450 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.616 3.635 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.293 4.056 -4.950 1.00 0.00 H new ATOM 241 N THR A 19 8.608 1.050 -6.201 1.00 0.00 N ATOM 242 CA THR A 19 7.749 0.015 -6.762 1.00 0.00 C ATOM 243 C THR A 19 6.767 0.601 -7.771 1.00 0.00 C ATOM 244 O THR A 19 6.477 -0.012 -8.798 1.00 0.00 O ATOM 245 CB THR A 19 6.959 -0.716 -5.660 1.00 0.00 C ATOM 246 OG1 THR A 19 7.825 -1.600 -4.939 1.00 0.00 O ATOM 247 CG2 THR A 19 5.802 -1.506 -6.256 1.00 0.00 C ATOM 0 H THR A 19 8.798 0.946 -5.204 1.00 0.00 H new ATOM 0 HA THR A 19 8.401 -0.698 -7.266 1.00 0.00 H new ATOM 0 HB THR A 19 6.555 0.032 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.342 -1.088 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.259 -2.014 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.128 -0.827 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.189 -2.244 -6.958 1.00 0.00 H new ATOM 255 N LEU A 20 6.259 1.792 -7.471 1.00 0.00 N ATOM 256 CA LEU A 20 5.310 2.461 -8.354 1.00 0.00 C ATOM 257 C LEU A 20 6.034 3.180 -9.487 1.00 0.00 C ATOM 258 O LEU A 20 5.567 3.191 -10.626 1.00 0.00 O ATOM 259 CB LEU A 20 4.465 3.460 -7.561 1.00 0.00 C ATOM 260 CG LEU A 20 3.570 2.866 -6.472 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.227 3.919 -5.431 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.304 2.282 -7.081 1.00 0.00 C ATOM 0 H LEU A 20 6.488 2.313 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 20 4.658 1.703 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.135 4.185 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.836 4.009 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 20 4.115 2.061 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.590 3.479 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.144 4.289 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.701 4.745 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.680 1.864 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.755 3.067 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.569 1.496 -7.788 1.00 0.00 H new ATOM 274 N ARG A 21 7.179 3.775 -9.169 1.00 0.00 N ATOM 275 CA ARG A 21 7.969 4.495 -10.161 1.00 0.00 C ATOM 276 C ARG A 21 8.434 3.555 -11.270 1.00 0.00 C ATOM 277 O ARG A 21 8.248 3.836 -12.453 1.00 0.00 O ATOM 278 CB ARG A 21 9.178 5.158 -9.499 1.00 0.00 C ATOM 279 CG ARG A 21 9.895 6.152 -10.398 1.00 0.00 C ATOM 280 CD ARG A 21 11.087 6.780 -9.693 1.00 0.00 C ATOM 281 NE ARG A 21 11.679 7.861 -10.477 1.00 0.00 N ATOM 282 CZ ARG A 21 11.072 9.018 -10.709 1.00 0.00 C ATOM 283 NH1 ARG A 21 9.861 9.246 -10.218 1.00 0.00 N ATOM 284 NH2 ARG A 21 11.676 9.953 -11.432 1.00 0.00 N ATOM 0 H ARG A 21 7.581 3.773 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 21 7.338 5.266 -10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.851 5.670 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.882 4.385 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.231 5.648 -11.304 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.200 6.933 -10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.773 7.166 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.840 6.015 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 21 12.610 7.719 -10.868 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.394 8.531 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.397 10.136 -10.398 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.608 9.783 -11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.208 10.842 -11.610 1.00 0.00 H new ATOM 298 N GLU A 22 9.041 2.440 -10.877 1.00 0.00 N ATOM 299 CA GLU A 22 9.533 1.459 -11.839 1.00 0.00 C ATOM 300 C GLU A 22 8.406 0.966 -12.739 1.00 0.00 C ATOM 301 O GLU A 22 8.642 0.525 -13.863 1.00 0.00 O ATOM 302 CB GLU A 22 10.176 0.277 -11.111 1.00 0.00 C ATOM 303 CG GLU A 22 9.179 -0.591 -10.361 1.00 0.00 C ATOM 304 CD GLU A 22 9.718 -1.977 -10.065 1.00 0.00 C ATOM 305 OE1 GLU A 22 10.690 -2.390 -10.732 1.00 0.00 O ATOM 306 OE2 GLU A 22 9.170 -2.647 -9.166 1.00 0.00 O ATOM 0 H GLU A 22 9.204 2.193 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 22 10.284 1.944 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.708 -0.339 -11.836 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.918 0.654 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.910 -0.102 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.265 -0.679 -10.949 1.00 0.00 H new ATOM 313 N ALA A 23 7.178 1.041 -12.235 1.00 0.00 N ATOM 314 CA ALA A 23 6.013 0.603 -12.994 1.00 0.00 C ATOM 315 C ALA A 23 5.250 1.794 -13.565 1.00 0.00 C ATOM 316 O ALA A 23 4.135 1.647 -14.063 1.00 0.00 O ATOM 317 CB ALA A 23 5.098 -0.239 -12.116 1.00 0.00 C ATOM 0 H ALA A 23 6.965 1.401 -11.305 1.00 0.00 H new ATOM 0 HA ALA A 23 6.362 -0.006 -13.828 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.232 -0.560 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.640 -1.115 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.765 0.353 -11.264 1.00 0.00 H new ATOM 323 N GLU A 24 5.860 2.972 -13.490 1.00 0.00 N ATOM 324 CA GLU A 24 5.237 4.188 -13.999 1.00 0.00 C ATOM 325 C GLU A 24 3.770 4.263 -13.584 1.00 0.00 C ATOM 326 O GLU A 24 2.891 4.505 -14.411 1.00 0.00 O ATOM 327 CB GLU A 24 5.351 4.247 -15.523 1.00 0.00 C ATOM 328 CG GLU A 24 5.442 2.879 -16.180 1.00 0.00 C ATOM 329 CD GLU A 24 5.833 2.958 -17.643 1.00 0.00 C ATOM 330 OE1 GLU A 24 4.981 3.366 -18.461 1.00 0.00 O ATOM 331 OE2 GLU A 24 6.987 2.613 -17.970 1.00 0.00 O ATOM 0 H GLU A 24 6.785 3.110 -13.082 1.00 0.00 H new ATOM 0 HA GLU A 24 5.762 5.041 -13.570 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.486 4.776 -15.923 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.233 4.829 -15.791 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.172 2.271 -15.645 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.480 2.373 -16.092 1.00 0.00 H new ATOM 338 N LYS A 25 3.514 4.051 -12.298 1.00 0.00 N ATOM 339 CA LYS A 25 2.155 4.095 -11.771 1.00 0.00 C ATOM 340 C LYS A 25 1.678 5.535 -11.612 1.00 0.00 C ATOM 341 O LYS A 25 2.471 6.473 -11.687 1.00 0.00 O ATOM 342 CB LYS A 25 2.085 3.372 -10.424 1.00 0.00 C ATOM 343 CG LYS A 25 1.556 1.951 -10.522 1.00 0.00 C ATOM 344 CD LYS A 25 2.366 1.121 -11.503 1.00 0.00 C ATOM 345 CE LYS A 25 1.510 0.060 -12.175 1.00 0.00 C ATOM 346 NZ LYS A 25 0.600 0.647 -13.197 1.00 0.00 N ATOM 0 H LYS A 25 4.230 3.847 -11.601 1.00 0.00 H new ATOM 0 HA LYS A 25 1.500 3.591 -12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.081 3.350 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.448 3.942 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.584 1.483 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.512 1.971 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.801 1.773 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.195 0.644 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.155 -0.682 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.921 -0.462 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.211 -0.112 -13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.178 1.148 -12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.131 1.315 -13.791 1.00 0.00 H new ATOM 360 N SER A 26 0.377 5.702 -11.394 1.00 0.00 N ATOM 361 CA SER A 26 -0.205 7.029 -11.228 1.00 0.00 C ATOM 362 C SER A 26 -0.463 7.327 -9.754 1.00 0.00 C ATOM 363 O SER A 26 -1.153 8.288 -9.415 1.00 0.00 O ATOM 364 CB SER A 26 -1.510 7.139 -12.018 1.00 0.00 C ATOM 365 OG SER A 26 -2.018 8.461 -11.982 1.00 0.00 O ATOM 0 H SER A 26 -0.293 4.936 -11.328 1.00 0.00 H new ATOM 0 HA SER A 26 0.506 7.762 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.339 6.840 -13.052 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.248 6.451 -11.605 1.00 0.00 H new ATOM 0 HG SER A 26 -1.776 8.881 -11.130 1.00 0.00 H new ATOM 371 N SER A 27 0.098 6.496 -8.881 1.00 0.00 N ATOM 372 CA SER A 27 -0.074 6.668 -7.443 1.00 0.00 C ATOM 373 C SER A 27 1.260 6.976 -6.770 1.00 0.00 C ATOM 374 O SER A 27 2.325 6.690 -7.317 1.00 0.00 O ATOM 375 CB SER A 27 -0.690 5.410 -6.827 1.00 0.00 C ATOM 376 OG SER A 27 -1.352 5.709 -5.611 1.00 0.00 O ATOM 0 H SER A 27 0.675 5.697 -9.144 1.00 0.00 H new ATOM 0 HA SER A 27 -0.747 7.510 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.396 4.966 -7.529 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.090 4.670 -6.648 1.00 0.00 H new ATOM 0 HG SER A 27 -1.397 6.681 -5.493 1.00 0.00 H new ATOM 382 N SER A 28 1.193 7.562 -5.578 1.00 0.00 N ATOM 383 CA SER A 28 2.394 7.913 -4.831 1.00 0.00 C ATOM 384 C SER A 28 2.037 8.456 -3.450 1.00 0.00 C ATOM 385 O SER A 28 0.951 9.002 -3.249 1.00 0.00 O ATOM 386 CB SER A 28 3.216 8.950 -5.600 1.00 0.00 C ATOM 387 OG SER A 28 2.431 10.086 -5.921 1.00 0.00 O ATOM 0 H SER A 28 0.319 7.803 -5.110 1.00 0.00 H new ATOM 0 HA SER A 28 2.989 7.008 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.075 9.255 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.607 8.504 -6.514 1.00 0.00 H new ATOM 0 HG SER A 28 2.979 10.735 -6.410 1.00 0.00 H new ATOM 393 N ILE A 29 2.955 8.301 -2.503 1.00 0.00 N ATOM 394 CA ILE A 29 2.738 8.775 -1.143 1.00 0.00 C ATOM 395 C ILE A 29 3.888 9.663 -0.679 1.00 0.00 C ATOM 396 O ILE A 29 5.031 9.485 -1.101 1.00 0.00 O ATOM 397 CB ILE A 29 2.579 7.604 -0.156 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.690 6.573 -0.371 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.211 6.957 -0.319 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.028 5.783 0.874 1.00 0.00 C ATOM 0 H ILE A 29 3.858 7.850 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 29 1.816 9.356 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 29 2.659 7.991 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.387 5.883 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.586 7.084 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.113 6.131 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.434 7.695 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.105 6.581 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.823 5.072 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.361 6.464 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.144 5.244 1.214 1.00 0.00 H new ATOM 412 N SER A 30 3.579 10.617 0.193 1.00 0.00 N ATOM 413 CA SER A 30 4.587 11.533 0.713 1.00 0.00 C ATOM 414 C SER A 30 5.116 11.051 2.059 1.00 0.00 C ATOM 415 O SER A 30 6.278 11.274 2.399 1.00 0.00 O ATOM 416 CB SER A 30 4.002 12.940 0.857 1.00 0.00 C ATOM 417 OG SER A 30 3.856 13.563 -0.408 1.00 0.00 O ATOM 0 H SER A 30 2.638 10.776 0.554 1.00 0.00 H new ATOM 0 HA SER A 30 5.416 11.562 0.005 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.033 12.885 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.651 13.544 1.491 1.00 0.00 H new ATOM 0 HG SER A 30 3.479 14.460 -0.289 1.00 0.00 H new ATOM 423 N SER A 31 4.254 10.387 2.824 1.00 0.00 N ATOM 424 CA SER A 31 4.633 9.875 4.136 1.00 0.00 C ATOM 425 C SER A 31 3.509 9.037 4.737 1.00 0.00 C ATOM 426 O SER A 31 2.362 9.108 4.296 1.00 0.00 O ATOM 427 CB SER A 31 4.982 11.031 5.077 1.00 0.00 C ATOM 428 OG SER A 31 5.921 10.625 6.057 1.00 0.00 O ATOM 0 H SER A 31 3.289 10.191 2.558 1.00 0.00 H new ATOM 0 HA SER A 31 5.510 9.240 4.012 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.389 11.862 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.077 11.393 5.564 1.00 0.00 H new ATOM 0 HG SER A 31 6.129 11.382 6.644 1.00 0.00 H new ATOM 434 N PHE A 32 3.847 8.243 5.748 1.00 0.00 N ATOM 435 CA PHE A 32 2.867 7.390 6.410 1.00 0.00 C ATOM 436 C PHE A 32 1.576 8.155 6.685 1.00 0.00 C ATOM 437 O PHE A 32 0.508 7.562 6.828 1.00 0.00 O ATOM 438 CB PHE A 32 3.439 6.843 7.721 1.00 0.00 C ATOM 439 CG PHE A 32 4.756 6.143 7.553 1.00 0.00 C ATOM 440 CD1 PHE A 32 5.032 5.421 6.404 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.720 6.205 8.547 1.00 0.00 C ATOM 442 CE1 PHE A 32 6.244 4.775 6.247 1.00 0.00 C ATOM 443 CE2 PHE A 32 6.934 5.561 8.398 1.00 0.00 C ATOM 444 CZ PHE A 32 7.197 4.846 7.246 1.00 0.00 C ATOM 0 H PHE A 32 4.792 8.173 6.126 1.00 0.00 H new ATOM 0 HA PHE A 32 2.639 6.557 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.561 7.665 8.426 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.721 6.150 8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.291 5.362 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.520 6.764 9.449 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.446 4.216 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.676 5.617 9.181 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.145 4.343 7.126 1.00 0.00 H new ATOM 454 N LYS A 33 1.684 9.477 6.758 1.00 0.00 N ATOM 455 CA LYS A 33 0.527 10.327 7.015 1.00 0.00 C ATOM 456 C LYS A 33 0.111 11.075 5.753 1.00 0.00 C ATOM 457 O LYS A 33 -0.266 12.246 5.810 1.00 0.00 O ATOM 458 CB LYS A 33 0.839 11.324 8.134 1.00 0.00 C ATOM 459 CG LYS A 33 0.778 10.717 9.525 1.00 0.00 C ATOM 460 CD LYS A 33 0.492 11.771 10.581 1.00 0.00 C ATOM 461 CE LYS A 33 -1.002 11.981 10.768 1.00 0.00 C ATOM 462 NZ LYS A 33 -1.575 12.864 9.714 1.00 0.00 N ATOM 0 H LYS A 33 2.562 9.984 6.643 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.300 9.689 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.833 11.740 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.134 12.153 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.003 9.951 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.723 10.223 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.939 11.469 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.960 12.713 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.509 11.016 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.187 12.419 11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.426 13.335 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.872 13.581 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.827 12.293 8.882 1.00 0.00 H new ATOM 476 N ASP A 34 0.180 10.392 4.616 1.00 0.00 N ATOM 477 CA ASP A 34 -0.193 10.992 3.340 1.00 0.00 C ATOM 478 C ASP A 34 -1.707 10.987 3.158 1.00 0.00 C ATOM 479 O ASP A 34 -2.396 10.029 3.510 1.00 0.00 O ATOM 480 CB ASP A 34 0.475 10.243 2.186 1.00 0.00 C ATOM 481 CG ASP A 34 -0.215 10.492 0.858 1.00 0.00 C ATOM 482 OD1 ASP A 34 -1.333 9.970 0.665 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.364 11.206 0.014 1.00 0.00 O ATOM 0 H ASP A 34 0.491 9.423 4.551 1.00 0.00 H new ATOM 0 HA ASP A 34 0.151 12.026 3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.518 10.550 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.471 9.174 2.400 1.00 0.00 H new ATOM 488 N PRO A 35 -2.240 12.081 2.597 1.00 0.00 N ATOM 489 CA PRO A 35 -3.679 12.228 2.356 1.00 0.00 C ATOM 490 C PRO A 35 -4.180 11.300 1.255 1.00 0.00 C ATOM 491 O PRO A 35 -5.239 10.685 1.380 1.00 0.00 O ATOM 492 CB PRO A 35 -3.820 13.691 1.928 1.00 0.00 C ATOM 493 CG PRO A 35 -2.490 14.051 1.366 1.00 0.00 C ATOM 494 CD PRO A 35 -1.480 13.262 2.153 1.00 0.00 C ATOM 0 HA PRO A 35 -4.268 11.969 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.609 13.812 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.078 14.328 2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.436 13.806 0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.305 15.121 1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.623 12.981 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.094 13.833 2.998 1.00 0.00 H new ATOM 502 N LYS A 36 -3.411 11.201 0.176 1.00 0.00 N ATOM 503 CA LYS A 36 -3.775 10.347 -0.948 1.00 0.00 C ATOM 504 C LYS A 36 -4.081 8.929 -0.477 1.00 0.00 C ATOM 505 O LYS A 36 -4.847 8.204 -1.113 1.00 0.00 O ATOM 506 CB LYS A 36 -2.646 10.320 -1.982 1.00 0.00 C ATOM 507 CG LYS A 36 -2.715 11.457 -2.987 1.00 0.00 C ATOM 508 CD LYS A 36 -1.951 12.678 -2.501 1.00 0.00 C ATOM 509 CE LYS A 36 -0.485 12.614 -2.901 1.00 0.00 C ATOM 510 NZ LYS A 36 0.260 13.830 -2.474 1.00 0.00 N ATOM 0 H LYS A 36 -2.531 11.702 0.056 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.672 10.759 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.688 10.362 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.677 9.371 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.305 11.126 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.757 11.725 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.403 13.580 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.030 12.750 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.025 11.732 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.408 12.502 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.255 13.748 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.162 14.670 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.209 13.923 -1.439 1.00 0.00 H new ATOM 524 N ILE A 37 -3.478 8.539 0.642 1.00 0.00 N ATOM 525 CA ILE A 37 -3.688 7.208 1.199 1.00 0.00 C ATOM 526 C ILE A 37 -5.157 6.981 1.536 1.00 0.00 C ATOM 527 O ILE A 37 -5.647 5.852 1.494 1.00 0.00 O ATOM 528 CB ILE A 37 -2.841 6.988 2.465 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.351 6.984 2.115 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.235 5.686 3.146 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.454 6.688 3.296 1.00 0.00 C ATOM 0 H ILE A 37 -2.840 9.126 1.180 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.378 6.493 0.437 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.029 7.809 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.171 6.242 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.081 7.954 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.627 5.544 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.288 5.726 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.073 4.854 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.587 6.701 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.606 7.444 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.696 5.705 3.700 1.00 0.00 H new ATOM 543 N SER A 38 -5.857 8.060 1.871 1.00 0.00 N ATOM 544 CA SER A 38 -7.271 7.978 2.219 1.00 0.00 C ATOM 545 C SER A 38 -8.069 7.323 1.097 1.00 0.00 C ATOM 546 O SER A 38 -9.063 6.640 1.341 1.00 0.00 O ATOM 547 CB SER A 38 -7.828 9.373 2.511 1.00 0.00 C ATOM 548 OG SER A 38 -7.811 10.181 1.347 1.00 0.00 O ATOM 0 H SER A 38 -5.468 9.002 1.909 1.00 0.00 H new ATOM 0 HA SER A 38 -7.365 7.363 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.848 9.290 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.238 9.847 3.296 1.00 0.00 H new ATOM 0 HG SER A 38 -6.981 10.702 1.323 1.00 0.00 H new ATOM 554 N THR A 39 -7.625 7.536 -0.139 1.00 0.00 N ATOM 555 CA THR A 39 -8.298 6.969 -1.300 1.00 0.00 C ATOM 556 C THR A 39 -7.784 5.566 -1.603 1.00 0.00 C ATOM 557 O THR A 39 -8.338 4.859 -2.445 1.00 0.00 O ATOM 558 CB THR A 39 -8.106 7.852 -2.548 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.712 8.100 -2.764 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.843 9.174 -2.393 1.00 0.00 C ATOM 0 H THR A 39 -6.802 8.097 -0.360 1.00 0.00 H new ATOM 0 HA THR A 39 -9.359 6.921 -1.057 1.00 0.00 H new ATOM 0 HB THR A 39 -8.517 7.322 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.192 7.701 -2.036 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.693 9.781 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.908 8.983 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.457 9.706 -1.524 1.00 0.00 H new ATOM 568 N SER A 40 -6.722 5.168 -0.910 1.00 0.00 N ATOM 569 CA SER A 40 -6.131 3.848 -1.106 1.00 0.00 C ATOM 570 C SER A 40 -5.501 3.737 -2.491 1.00 0.00 C ATOM 571 O SER A 40 -5.384 2.642 -3.045 1.00 0.00 O ATOM 572 CB SER A 40 -7.190 2.760 -0.924 1.00 0.00 C ATOM 573 OG SER A 40 -7.915 2.949 0.279 1.00 0.00 O ATOM 0 H SER A 40 -6.253 5.740 -0.208 1.00 0.00 H new ATOM 0 HA SER A 40 -5.349 3.711 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.876 2.771 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.712 1.781 -0.914 1.00 0.00 H new ATOM 0 HG SER A 40 -8.686 2.344 0.295 1.00 0.00 H new ATOM 579 N LEU A 41 -5.100 4.875 -3.046 1.00 0.00 N ATOM 580 CA LEU A 41 -4.482 4.906 -4.367 1.00 0.00 C ATOM 581 C LEU A 41 -3.107 4.247 -4.341 1.00 0.00 C ATOM 582 O LEU A 41 -2.809 3.342 -5.120 1.00 0.00 O ATOM 583 CB LEU A 41 -4.360 6.348 -4.861 1.00 0.00 C ATOM 584 CG LEU A 41 -5.594 6.927 -5.554 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.343 8.366 -5.977 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.979 6.076 -6.756 1.00 0.00 C ATOM 0 H LEU A 41 -5.192 5.789 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.119 4.347 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.115 6.983 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.520 6.404 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.423 6.917 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.232 8.761 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.116 8.969 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.501 8.400 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.859 6.503 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.152 6.054 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.202 5.061 -6.427 1.00 0.00 H new ATOM 598 N PRO A 42 -2.246 4.710 -3.422 1.00 0.00 N ATOM 599 CA PRO A 42 -0.888 4.178 -3.270 1.00 0.00 C ATOM 600 C PRO A 42 -0.880 2.762 -2.705 1.00 0.00 C ATOM 601 O PRO A 42 -0.007 1.958 -3.032 1.00 0.00 O ATOM 602 CB PRO A 42 -0.235 5.150 -2.284 1.00 0.00 C ATOM 603 CG PRO A 42 -1.371 5.722 -1.508 1.00 0.00 C ATOM 604 CD PRO A 42 -2.533 5.788 -2.460 1.00 0.00 C ATOM 0 HA PRO A 42 -0.369 4.106 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.472 4.637 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.321 5.929 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.608 5.098 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.123 6.712 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.482 5.628 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.596 6.759 -2.951 1.00 0.00 H new ATOM 612 N VAL A 43 -1.859 2.462 -1.858 1.00 0.00 N ATOM 613 CA VAL A 43 -1.965 1.141 -1.250 1.00 0.00 C ATOM 614 C VAL A 43 -2.547 0.130 -2.232 1.00 0.00 C ATOM 615 O VAL A 43 -2.279 -1.070 -2.136 1.00 0.00 O ATOM 616 CB VAL A 43 -2.843 1.174 0.015 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.622 -0.076 0.853 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.557 2.428 0.829 1.00 0.00 C ATOM 0 H VAL A 43 -2.590 3.116 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.955 0.837 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.889 1.196 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.251 -0.034 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.881 -0.958 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.575 -0.134 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.186 2.435 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.508 2.438 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.772 3.310 0.226 1.00 0.00 H new ATOM 628 N LEU A 44 -3.343 0.620 -3.176 1.00 0.00 N ATOM 629 CA LEU A 44 -3.962 -0.242 -4.177 1.00 0.00 C ATOM 630 C LEU A 44 -3.044 -0.426 -5.381 1.00 0.00 C ATOM 631 O LEU A 44 -2.904 -1.530 -5.905 1.00 0.00 O ATOM 632 CB LEU A 44 -5.301 0.346 -4.626 1.00 0.00 C ATOM 633 CG LEU A 44 -6.452 0.239 -3.625 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.625 1.099 -4.067 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.883 -1.211 -3.463 1.00 0.00 C ATOM 0 H LEU A 44 -3.575 1.609 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.134 -1.218 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.151 1.399 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.602 -0.150 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.104 0.605 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.435 1.010 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.309 2.140 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.974 0.764 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.703 -1.269 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.213 -1.602 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.042 -1.802 -3.100 1.00 0.00 H new ATOM 647 N ASP A 45 -2.419 0.664 -5.812 1.00 0.00 N ATOM 648 CA ASP A 45 -1.511 0.623 -6.953 1.00 0.00 C ATOM 649 C ASP A 45 -0.219 -0.105 -6.594 1.00 0.00 C ATOM 650 O ASP A 45 0.356 -0.814 -7.420 1.00 0.00 O ATOM 651 CB ASP A 45 -1.195 2.041 -7.431 1.00 0.00 C ATOM 652 CG ASP A 45 -0.923 2.102 -8.922 1.00 0.00 C ATOM 653 OD1 ASP A 45 -1.002 1.046 -9.582 1.00 0.00 O ATOM 654 OD2 ASP A 45 -0.630 3.207 -9.427 1.00 0.00 O ATOM 0 H ASP A 45 -2.524 1.586 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.003 0.077 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.031 2.697 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.327 2.419 -6.890 1.00 0.00 H new ATOM 659 N LEU A 46 0.230 0.076 -5.357 1.00 0.00 N ATOM 660 CA LEU A 46 1.455 -0.564 -4.888 1.00 0.00 C ATOM 661 C LEU A 46 1.362 -2.081 -5.018 1.00 0.00 C ATOM 662 O LEU A 46 2.345 -2.747 -5.344 1.00 0.00 O ATOM 663 CB LEU A 46 1.727 -0.181 -3.431 1.00 0.00 C ATOM 664 CG LEU A 46 2.747 -1.048 -2.690 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.053 -1.116 -3.464 1.00 0.00 C ATOM 666 CD2 LEU A 46 2.983 -0.509 -1.287 1.00 0.00 C ATOM 0 H LEU A 46 -0.235 0.660 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 46 2.279 -0.215 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.072 0.853 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.784 -0.216 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 46 2.346 -2.058 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.766 -1.737 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.871 -1.548 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.461 -0.112 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.711 -1.137 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.363 0.511 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.045 -0.514 -0.733 1.00 0.00 H new ATOM 678 N ILE A 47 0.174 -2.619 -4.765 1.00 0.00 N ATOM 679 CA ILE A 47 -0.047 -4.057 -4.858 1.00 0.00 C ATOM 680 C ILE A 47 -0.021 -4.525 -6.308 1.00 0.00 C ATOM 681 O ILE A 47 0.672 -5.485 -6.650 1.00 0.00 O ATOM 682 CB ILE A 47 -1.392 -4.461 -4.224 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.432 -4.049 -2.752 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.615 -5.960 -4.367 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.826 -4.030 -2.166 1.00 0.00 C ATOM 0 H ILE A 47 -0.650 -2.082 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 47 0.764 -4.537 -4.310 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.194 -3.942 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.813 -4.736 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.990 -3.058 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.569 -6.231 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.626 -6.227 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.810 -6.497 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.777 -3.729 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.443 -3.322 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.264 -5.026 -2.237 1.00 0.00 H new ATOM 697 N ASP A 48 -0.777 -3.840 -7.159 1.00 0.00 N ATOM 698 CA ASP A 48 -0.837 -4.183 -8.575 1.00 0.00 C ATOM 699 C ASP A 48 0.563 -4.273 -9.174 1.00 0.00 C ATOM 700 O ASP A 48 0.877 -5.213 -9.904 1.00 0.00 O ATOM 701 CB ASP A 48 -1.666 -3.147 -9.338 1.00 0.00 C ATOM 702 CG ASP A 48 -1.499 -3.265 -10.840 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.396 -4.406 -11.339 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.471 -2.216 -11.517 1.00 0.00 O ATOM 0 H ASP A 48 -1.357 -3.044 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.314 -5.159 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.719 -3.268 -9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.373 -2.146 -9.020 1.00 0.00 H new ATOM 709 N ALA A 49 1.400 -3.290 -8.858 1.00 0.00 N ATOM 710 CA ALA A 49 2.766 -3.259 -9.364 1.00 0.00 C ATOM 711 C ALA A 49 3.481 -4.580 -9.096 1.00 0.00 C ATOM 712 O ALA A 49 4.331 -5.006 -9.879 1.00 0.00 O ATOM 713 CB ALA A 49 3.535 -2.105 -8.737 1.00 0.00 C ATOM 0 H ALA A 49 1.156 -2.505 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 49 2.724 -3.110 -10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.554 -2.094 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.043 -1.164 -8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.559 -2.230 -7.654 1.00 0.00 H new ATOM 719 N ILE A 50 3.131 -5.221 -7.987 1.00 0.00 N ATOM 720 CA ILE A 50 3.739 -6.494 -7.617 1.00 0.00 C ATOM 721 C ILE A 50 3.228 -7.625 -8.502 1.00 0.00 C ATOM 722 O ILE A 50 4.013 -8.381 -9.074 1.00 0.00 O ATOM 723 CB ILE A 50 3.460 -6.843 -6.143 1.00 0.00 C ATOM 724 CG1 ILE A 50 3.685 -5.618 -5.254 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.345 -7.997 -5.696 1.00 0.00 C ATOM 726 CD1 ILE A 50 5.119 -5.139 -5.237 1.00 0.00 C ATOM 0 H ILE A 50 2.430 -4.881 -7.329 1.00 0.00 H new ATOM 0 HA ILE A 50 4.814 -6.384 -7.758 1.00 0.00 H new ATOM 0 HB ILE A 50 2.419 -7.150 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.044 -4.807 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.378 -5.857 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.137 -8.232 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.141 -8.872 -6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.392 -7.714 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.204 -4.268 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.764 -5.935 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.424 -4.868 -6.248 1.00 0.00 H new ATOM 738 N GLN A 51 1.907 -7.734 -8.610 1.00 0.00 N ATOM 739 CA GLN A 51 1.292 -8.773 -9.427 1.00 0.00 C ATOM 740 C GLN A 51 0.197 -8.190 -10.315 1.00 0.00 C ATOM 741 O GLN A 51 -0.808 -7.663 -9.838 1.00 0.00 O ATOM 742 CB GLN A 51 0.711 -9.873 -8.537 1.00 0.00 C ATOM 743 CG GLN A 51 0.720 -11.248 -9.185 1.00 0.00 C ATOM 744 CD GLN A 51 -0.344 -11.395 -10.256 1.00 0.00 C ATOM 745 OE1 GLN A 51 -1.331 -10.659 -10.273 1.00 0.00 O ATOM 746 NE2 GLN A 51 -0.148 -12.350 -11.158 1.00 0.00 N ATOM 0 H GLN A 51 1.244 -7.116 -8.142 1.00 0.00 H new ATOM 0 HA GLN A 51 2.063 -9.202 -10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.279 -9.915 -7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.314 -9.612 -8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.700 -11.432 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.566 -12.008 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.684 -12.937 -11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.830 -12.496 -11.902 1.00 0.00 H new ATOM 755 N PRO A 52 0.394 -8.286 -11.638 1.00 0.00 N ATOM 756 CA PRO A 52 -0.565 -7.774 -12.621 1.00 0.00 C ATOM 757 C PRO A 52 -1.852 -8.591 -12.654 1.00 0.00 C ATOM 758 O PRO A 52 -1.829 -9.792 -12.919 1.00 0.00 O ATOM 759 CB PRO A 52 0.184 -7.902 -13.949 1.00 0.00 C ATOM 760 CG PRO A 52 1.170 -8.996 -13.723 1.00 0.00 C ATOM 761 CD PRO A 52 1.570 -8.901 -12.278 1.00 0.00 C ATOM 0 HA PRO A 52 -0.880 -6.756 -12.391 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.496 -8.144 -14.766 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.681 -6.969 -14.215 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.731 -9.969 -13.943 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.035 -8.882 -14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.790 -9.882 -11.857 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.464 -8.291 -12.148 1.00 0.00 H new ATOM 769 N GLY A 53 -2.975 -7.930 -12.386 1.00 0.00 N ATOM 770 CA GLY A 53 -4.256 -8.612 -12.392 1.00 0.00 C ATOM 771 C GLY A 53 -4.953 -8.548 -11.046 1.00 0.00 C ATOM 772 O GLY A 53 -6.181 -8.507 -10.977 1.00 0.00 O ATOM 0 H GLY A 53 -3.020 -6.935 -12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.898 -8.166 -13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.108 -9.655 -12.672 1.00 0.00 H new ATOM 776 N SER A 54 -4.167 -8.542 -9.975 1.00 0.00 N ATOM 777 CA SER A 54 -4.715 -8.488 -8.625 1.00 0.00 C ATOM 778 C SER A 54 -5.716 -7.345 -8.490 1.00 0.00 C ATOM 779 O SER A 54 -6.876 -7.558 -8.137 1.00 0.00 O ATOM 780 CB SER A 54 -3.591 -8.321 -7.600 1.00 0.00 C ATOM 781 OG SER A 54 -2.757 -7.225 -7.933 1.00 0.00 O ATOM 0 H SER A 54 -3.148 -8.574 -10.016 1.00 0.00 H new ATOM 0 HA SER A 54 -5.234 -9.427 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.018 -8.169 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.997 -9.234 -7.555 1.00 0.00 H new ATOM 0 HG SER A 54 -2.109 -7.502 -8.614 1.00 0.00 H new ATOM 787 N ILE A 55 -5.258 -6.130 -8.774 1.00 0.00 N ATOM 788 CA ILE A 55 -6.111 -4.952 -8.686 1.00 0.00 C ATOM 789 C ILE A 55 -6.823 -4.689 -10.008 1.00 0.00 C ATOM 790 O ILE A 55 -6.258 -4.897 -11.082 1.00 0.00 O ATOM 791 CB ILE A 55 -5.305 -3.700 -8.292 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.384 -4.013 -7.110 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.243 -2.552 -7.949 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.095 -4.019 -5.774 1.00 0.00 C ATOM 0 H ILE A 55 -4.300 -5.936 -9.067 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.851 -5.156 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.690 -3.399 -9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.920 -4.986 -7.270 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.580 -3.277 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.658 -1.675 -7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.863 -2.317 -8.815 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.881 -2.841 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.381 -4.248 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.536 -3.039 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.881 -4.774 -5.783 1.00 0.00 H new ATOM 806 N ASN A 56 -8.066 -4.226 -9.924 1.00 0.00 N ATOM 807 CA ASN A 56 -8.855 -3.932 -11.115 1.00 0.00 C ATOM 808 C ASN A 56 -9.461 -2.534 -11.034 1.00 0.00 C ATOM 809 O ASN A 56 -10.523 -2.340 -10.443 1.00 0.00 O ATOM 810 CB ASN A 56 -9.964 -4.971 -11.287 1.00 0.00 C ATOM 811 CG ASN A 56 -10.428 -5.089 -12.726 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.667 -4.830 -13.659 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.684 -5.480 -12.911 1.00 0.00 N ATOM 0 H ASN A 56 -8.549 -4.046 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.192 -3.972 -11.979 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.606 -5.941 -10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.811 -4.702 -10.656 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.054 -5.576 -13.857 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.278 -5.684 -12.107 1.00 0.00 H new ATOM 820 N TYR A 57 -8.779 -1.564 -11.633 1.00 0.00 N ATOM 821 CA TYR A 57 -9.248 -0.184 -11.627 1.00 0.00 C ATOM 822 C TYR A 57 -10.716 -0.106 -12.038 1.00 0.00 C ATOM 823 O TYR A 57 -11.450 0.777 -11.596 1.00 0.00 O ATOM 824 CB TYR A 57 -8.398 0.670 -12.570 1.00 0.00 C ATOM 825 CG TYR A 57 -7.193 1.292 -11.901 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.369 0.540 -11.073 1.00 0.00 C ATOM 827 CD2 TYR A 57 -6.879 2.631 -12.097 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.267 1.104 -10.459 1.00 0.00 C ATOM 829 CE2 TYR A 57 -5.778 3.203 -11.489 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.976 2.436 -10.670 1.00 0.00 C ATOM 831 OH TYR A 57 -3.879 3.001 -10.061 1.00 0.00 O ATOM 0 H TYR A 57 -7.899 -1.708 -12.129 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.152 0.201 -10.612 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.062 0.052 -13.403 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.019 1.461 -12.990 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.594 -0.503 -10.906 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.506 3.235 -12.736 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.637 0.505 -9.818 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.547 4.245 -11.654 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.815 3.946 -10.314 1.00 0.00 H new ATOM 841 N ASP A 58 -11.136 -1.038 -12.887 1.00 0.00 N ATOM 842 CA ASP A 58 -12.516 -1.077 -13.357 1.00 0.00 C ATOM 843 C ASP A 58 -13.491 -1.032 -12.185 1.00 0.00 C ATOM 844 O ASP A 58 -14.490 -0.313 -12.224 1.00 0.00 O ATOM 845 CB ASP A 58 -12.758 -2.339 -14.189 1.00 0.00 C ATOM 846 CG ASP A 58 -13.819 -2.137 -15.253 1.00 0.00 C ATOM 847 OD1 ASP A 58 -13.629 -1.258 -16.120 1.00 0.00 O ATOM 848 OD2 ASP A 58 -14.840 -2.855 -15.218 1.00 0.00 O ATOM 0 H ASP A 58 -10.541 -1.776 -13.263 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.686 -0.200 -13.982 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.825 -2.642 -14.664 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.059 -3.153 -13.530 1.00 0.00 H new ATOM 853 N LEU A 59 -13.195 -1.804 -11.145 1.00 0.00 N ATOM 854 CA LEU A 59 -14.046 -1.852 -9.961 1.00 0.00 C ATOM 855 C LEU A 59 -13.715 -0.711 -9.006 1.00 0.00 C ATOM 856 O LEU A 59 -14.581 -0.224 -8.279 1.00 0.00 O ATOM 857 CB LEU A 59 -13.883 -3.194 -9.247 1.00 0.00 C ATOM 858 CG LEU A 59 -13.887 -4.435 -10.140 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.524 -5.674 -9.336 1.00 0.00 C ATOM 860 CD2 LEU A 59 -15.244 -4.609 -10.807 1.00 0.00 C ATOM 0 H LEU A 59 -12.372 -2.405 -11.098 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.082 -1.742 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.946 -3.175 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.686 -3.294 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.136 -4.300 -10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.532 -6.547 -9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.529 -5.551 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.250 -5.813 -8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.228 -5.497 -11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.013 -4.721 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.464 -3.733 -11.418 1.00 0.00 H new ATOM 872 N LEU A 60 -12.456 -0.287 -9.013 1.00 0.00 N ATOM 873 CA LEU A 60 -12.009 0.800 -8.148 1.00 0.00 C ATOM 874 C LEU A 60 -12.706 2.107 -8.512 1.00 0.00 C ATOM 875 O LEU A 60 -13.040 2.344 -9.674 1.00 0.00 O ATOM 876 CB LEU A 60 -10.493 0.972 -8.252 1.00 0.00 C ATOM 877 CG LEU A 60 -9.654 -0.268 -7.937 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.174 0.028 -8.122 1.00 0.00 C ATOM 879 CD2 LEU A 60 -9.930 -0.752 -6.520 1.00 0.00 C ATOM 0 H LEU A 60 -11.726 -0.679 -9.608 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.269 0.544 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.253 1.301 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.191 1.772 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.935 -1.060 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.593 -0.865 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.989 0.327 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.878 0.835 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.325 -1.635 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.677 0.036 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.986 -1.004 -6.421 1.00 0.00 H new ATOM 891 N LYS A 61 -12.921 2.956 -7.512 1.00 0.00 N ATOM 892 CA LYS A 61 -13.574 4.241 -7.726 1.00 0.00 C ATOM 893 C LYS A 61 -12.575 5.285 -8.215 1.00 0.00 C ATOM 894 O LYS A 61 -12.621 5.712 -9.369 1.00 0.00 O ATOM 895 CB LYS A 61 -14.237 4.721 -6.433 1.00 0.00 C ATOM 896 CG LYS A 61 -15.284 3.762 -5.894 1.00 0.00 C ATOM 897 CD LYS A 61 -16.456 3.620 -6.851 1.00 0.00 C ATOM 898 CE LYS A 61 -17.494 2.642 -6.320 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.159 1.234 -6.670 1.00 0.00 N ATOM 0 H LYS A 61 -12.652 2.776 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.338 4.108 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.469 4.871 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.702 5.691 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.831 2.785 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.643 4.119 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.919 4.594 -7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.096 3.278 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.565 2.740 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.473 2.895 -6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.890 0.599 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.116 1.134 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.236 0.984 -6.260 1.00 0.00 H new ATOM 913 N THR A 62 -11.670 5.693 -7.330 1.00 0.00 N ATOM 914 CA THR A 62 -10.660 6.685 -7.672 1.00 0.00 C ATOM 915 C THR A 62 -11.293 7.920 -8.301 1.00 0.00 C ATOM 916 O THR A 62 -10.741 8.505 -9.233 1.00 0.00 O ATOM 917 CB THR A 62 -9.611 6.108 -8.642 1.00 0.00 C ATOM 918 OG1 THR A 62 -10.182 5.954 -9.946 1.00 0.00 O ATOM 919 CG2 THR A 62 -9.096 4.766 -8.146 1.00 0.00 C ATOM 0 H THR A 62 -11.617 5.351 -6.371 1.00 0.00 H new ATOM 0 HA THR A 62 -10.167 6.967 -6.742 1.00 0.00 H new ATOM 0 HB THR A 62 -8.774 6.804 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.132 6.194 -9.918 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.357 4.378 -8.847 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.636 4.893 -7.166 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.926 4.064 -8.069 1.00 0.00 H new ATOM 927 N GLU A 63 -12.454 8.312 -7.785 1.00 0.00 N ATOM 928 CA GLU A 63 -13.162 9.479 -8.300 1.00 0.00 C ATOM 929 C GLU A 63 -13.977 10.149 -7.197 1.00 0.00 C ATOM 930 O GLU A 63 -15.005 9.628 -6.766 1.00 0.00 O ATOM 931 CB GLU A 63 -14.080 9.078 -9.455 1.00 0.00 C ATOM 932 CG GLU A 63 -15.087 8.001 -9.088 1.00 0.00 C ATOM 933 CD GLU A 63 -15.724 7.359 -10.305 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.009 7.144 -11.306 1.00 0.00 O ATOM 935 OE2 GLU A 63 -16.939 7.070 -10.255 1.00 0.00 O ATOM 0 H GLU A 63 -12.924 7.840 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.421 10.190 -8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.616 9.960 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.470 8.725 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.592 7.233 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.866 8.435 -8.461 1.00 0.00 H new ATOM 942 N ASN A 64 -13.510 11.309 -6.746 1.00 0.00 N ATOM 943 CA ASN A 64 -14.194 12.051 -5.693 1.00 0.00 C ATOM 944 C ASN A 64 -14.765 11.103 -4.642 1.00 0.00 C ATOM 945 O ASN A 64 -15.950 11.167 -4.311 1.00 0.00 O ATOM 946 CB ASN A 64 -15.316 12.904 -6.289 1.00 0.00 C ATOM 947 CG ASN A 64 -16.221 12.110 -7.209 1.00 0.00 C ATOM 948 OD1 ASN A 64 -17.242 11.572 -6.780 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.850 12.033 -8.481 1.00 0.00 N ATOM 0 H ASN A 64 -12.661 11.755 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.466 12.704 -5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.910 13.333 -5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.881 13.736 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.419 11.512 -9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.995 12.495 -8.792 1.00 0.00 H new ATOM 956 N LEU A 65 -13.915 10.225 -4.122 1.00 0.00 N ATOM 957 CA LEU A 65 -14.334 9.263 -3.108 1.00 0.00 C ATOM 958 C LEU A 65 -14.830 9.976 -1.854 1.00 0.00 C ATOM 959 O LEU A 65 -14.512 11.143 -1.624 1.00 0.00 O ATOM 960 CB LEU A 65 -13.175 8.330 -2.753 1.00 0.00 C ATOM 961 CG LEU A 65 -12.844 7.250 -3.783 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.370 6.883 -3.715 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.712 6.020 -3.566 1.00 0.00 C ATOM 0 H LEU A 65 -12.932 10.159 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.155 8.674 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.283 8.936 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.404 7.842 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.054 7.646 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.152 6.113 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.765 7.766 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.134 6.507 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.462 5.262 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.535 5.621 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.762 6.294 -3.666 1.00 0.00 H new ATOM 975 N ASN A 66 -15.610 9.266 -1.046 1.00 0.00 N ATOM 976 CA ASN A 66 -16.149 9.831 0.187 1.00 0.00 C ATOM 977 C ASN A 66 -16.129 8.800 1.311 1.00 0.00 C ATOM 978 O ASN A 66 -15.863 7.620 1.082 1.00 0.00 O ATOM 979 CB ASN A 66 -17.578 10.329 -0.039 1.00 0.00 C ATOM 980 CG ASN A 66 -18.321 9.505 -1.073 1.00 0.00 C ATOM 981 OD1 ASN A 66 -17.893 9.397 -2.222 1.00 0.00 O ATOM 982 ND2 ASN A 66 -19.442 8.919 -0.669 1.00 0.00 N ATOM 0 H ASN A 66 -15.883 8.299 -1.222 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.520 10.672 0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.123 10.300 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.550 11.370 -0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.985 8.353 -1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.760 9.035 0.293 1.00 0.00 H new ATOM 989 N ASP A 67 -16.412 9.254 2.527 1.00 0.00 N ATOM 990 CA ASP A 67 -16.429 8.372 3.689 1.00 0.00 C ATOM 991 C ASP A 67 -17.032 7.017 3.333 1.00 0.00 C ATOM 992 O ASP A 67 -16.652 5.990 3.895 1.00 0.00 O ATOM 993 CB ASP A 67 -17.219 9.012 4.831 1.00 0.00 C ATOM 994 CG ASP A 67 -16.518 10.224 5.412 1.00 0.00 C ATOM 995 OD1 ASP A 67 -15.311 10.122 5.717 1.00 0.00 O ATOM 996 OD2 ASP A 67 -17.176 11.275 5.562 1.00 0.00 O ATOM 0 H ASP A 67 -16.633 10.228 2.734 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.400 8.218 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.204 9.305 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.376 8.275 5.618 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.974 7.022 2.396 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.630 5.793 1.964 1.00 0.00 C ATOM 1003 C ASP A 68 -17.737 5.006 1.011 1.00 0.00 C ATOM 1004 O ASP A 68 -17.233 3.939 1.356 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.964 6.113 1.288 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.901 6.890 2.192 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -21.061 6.489 3.365 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.475 7.896 1.728 1.00 0.00 O ATOM 0 H ASP A 68 -18.300 7.864 1.921 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.817 5.180 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.779 6.688 0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.446 5.184 0.983 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.548 5.541 -0.191 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.717 4.886 -1.195 1.00 0.00 C ATOM 1015 C GLU A 69 -15.330 4.578 -0.638 1.00 0.00 C ATOM 1016 O GLU A 69 -14.873 3.436 -0.675 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.594 5.767 -2.441 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.933 6.190 -3.021 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.520 5.148 -3.954 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.795 4.023 -3.487 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.705 5.459 -5.149 1.00 0.00 O ATOM 0 H GLU A 69 -17.958 6.425 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.196 3.946 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -16.018 6.658 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.031 5.228 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.633 6.380 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.810 7.129 -3.562 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.666 5.606 -0.121 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.331 5.448 0.445 1.00 0.00 C ATOM 1030 C LYS A 70 -13.213 4.125 1.196 1.00 0.00 C ATOM 1031 O LYS A 70 -12.239 3.390 1.027 1.00 0.00 O ATOM 1032 CB LYS A 70 -13.015 6.612 1.389 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.799 7.933 0.672 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.122 8.952 1.573 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.699 10.190 0.796 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.249 11.284 1.699 1.00 0.00 N ATOM 0 H LYS A 70 -15.030 6.558 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.612 5.447 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.833 6.724 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.122 6.370 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.190 7.770 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.758 8.325 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.802 9.239 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.248 8.500 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.893 9.930 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.534 10.540 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.969 12.110 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.026 11.550 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.436 10.959 2.261 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.208 3.828 2.024 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.215 2.592 2.798 1.00 0.00 C ATOM 1052 C LEU A 71 -14.100 1.375 1.885 1.00 0.00 C ATOM 1053 O LEU A 71 -13.171 0.580 2.008 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.493 2.498 3.633 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.828 1.116 4.196 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.746 0.658 5.163 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.186 1.134 4.881 1.00 0.00 C ATOM 0 H LEU A 71 -15.020 4.426 2.177 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.352 2.605 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.411 3.197 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.330 2.830 3.019 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.871 0.408 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.001 -0.327 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.790 0.605 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.671 1.367 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.408 0.142 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.172 1.855 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.953 1.418 4.161 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.052 1.240 0.967 1.00 0.00 N ATOM 1070 CA ASN A 72 -15.057 0.122 0.030 1.00 0.00 C ATOM 1071 C ASN A 72 -13.652 -0.154 -0.496 1.00 0.00 C ATOM 1072 O ASN A 72 -13.199 -1.298 -0.515 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.003 0.412 -1.138 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.448 0.537 -0.694 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.214 -0.425 -0.756 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.826 1.728 -0.243 1.00 0.00 N ATOM 0 H ASN A 72 -15.829 1.890 0.852 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.407 -0.763 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.696 1.335 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.920 -0.386 -1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.786 1.874 0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.156 2.497 -0.210 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.967 0.903 -0.920 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.612 0.775 -1.445 1.00 0.00 C ATOM 1085 C ASN A 73 -10.657 0.266 -0.369 1.00 0.00 C ATOM 1086 O ASN A 73 -9.809 -0.586 -0.631 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.123 2.121 -1.983 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.506 2.338 -3.434 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.111 1.471 -4.064 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.152 3.499 -3.972 1.00 0.00 N ATOM 0 H ASN A 73 -13.327 1.857 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.631 0.051 -2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.540 2.925 -1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.039 2.176 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.381 3.701 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.651 4.189 -3.412 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.803 0.793 0.842 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.955 0.392 1.957 1.00 0.00 C ATOM 1099 C ALA A 74 -10.091 -1.101 2.240 1.00 0.00 C ATOM 1100 O ALA A 74 -9.095 -1.807 2.400 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.300 1.199 3.200 1.00 0.00 C ATOM 0 H ALA A 74 -11.501 1.499 1.076 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.919 0.592 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.659 0.889 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.146 2.259 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.343 1.028 3.467 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.330 -1.576 2.299 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.598 -2.985 2.562 1.00 0.00 C ATOM 1109 C LYS A 75 -10.992 -3.867 1.474 1.00 0.00 C ATOM 1110 O LYS A 75 -10.480 -4.951 1.754 1.00 0.00 O ATOM 1111 CB LYS A 75 -13.106 -3.232 2.650 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.784 -2.456 3.766 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.230 -2.136 3.424 1.00 0.00 C ATOM 1114 CE LYS A 75 -16.081 -3.396 3.372 1.00 0.00 C ATOM 1115 NZ LYS A 75 -15.987 -4.181 4.634 1.00 0.00 N ATOM 0 H LYS A 75 -12.165 -1.006 2.168 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.137 -3.244 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.566 -2.962 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.283 -4.297 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.747 -3.036 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.239 -1.530 3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.638 -1.450 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.273 -1.626 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.121 -3.125 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.762 -4.016 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.776 -4.857 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.086 -4.699 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.033 -3.536 5.448 1.00 0.00 H new ATOM 1129 N TYR A 76 -11.051 -3.392 0.235 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.508 -4.138 -0.896 1.00 0.00 C ATOM 1131 C TYR A 76 -8.985 -4.200 -0.826 1.00 0.00 C ATOM 1132 O TYR A 76 -8.383 -5.245 -1.068 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.944 -3.496 -2.214 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.681 -4.362 -3.425 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.296 -5.601 -3.565 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.816 -3.942 -4.428 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.058 -6.395 -4.669 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.573 -4.731 -5.536 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.196 -5.955 -5.652 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.955 -6.744 -6.755 1.00 0.00 O ATOM 0 H TYR A 76 -11.469 -2.495 -0.012 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.898 -5.155 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.009 -3.270 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.422 -2.547 -2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.971 -5.948 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.326 -2.984 -4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.544 -7.355 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.898 -4.390 -6.307 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.326 -6.288 -7.352 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.368 -3.070 -0.492 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.916 -2.995 -0.388 1.00 0.00 C ATOM 1152 C ALA A 77 -6.380 -4.049 0.574 1.00 0.00 C ATOM 1153 O ALA A 77 -5.684 -4.979 0.166 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.491 -1.604 0.058 1.00 0.00 C ATOM 0 H ALA A 77 -8.851 -2.195 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.494 -3.193 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.404 -1.562 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.834 -0.868 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.929 -1.384 1.031 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.707 -3.897 1.853 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.257 -4.836 2.873 1.00 0.00 C ATOM 1162 C ILE A 78 -6.546 -6.276 2.460 1.00 0.00 C ATOM 1163 O ILE A 78 -5.727 -7.170 2.673 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.930 -4.558 4.230 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.491 -3.198 4.773 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.597 -5.663 5.222 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.086 -2.864 6.122 1.00 0.00 C ATOM 0 H ILE A 78 -7.282 -3.133 2.207 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.181 -4.699 2.976 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.010 -4.539 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.404 -3.181 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.772 -2.423 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.080 -5.453 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.955 -6.618 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.517 -5.711 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.730 -1.885 6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.173 -2.848 6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.784 -3.617 6.850 1.00 0.00 H new ATOM 1179 N SER A 79 -7.716 -6.492 1.867 1.00 0.00 N ATOM 1180 CA SER A 79 -8.114 -7.823 1.425 1.00 0.00 C ATOM 1181 C SER A 79 -7.170 -8.343 0.346 1.00 0.00 C ATOM 1182 O SER A 79 -6.727 -9.489 0.393 1.00 0.00 O ATOM 1183 CB SER A 79 -9.549 -7.800 0.896 1.00 0.00 C ATOM 1184 OG SER A 79 -10.485 -7.950 1.950 1.00 0.00 O ATOM 0 H SER A 79 -8.404 -5.763 1.682 1.00 0.00 H new ATOM 0 HA SER A 79 -8.061 -8.494 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.732 -6.861 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.684 -8.601 0.169 1.00 0.00 H new ATOM 0 HG SER A 79 -10.794 -7.067 2.241 1.00 0.00 H new ATOM 1190 N MET A 80 -6.868 -7.490 -0.628 1.00 0.00 N ATOM 1191 CA MET A 80 -5.976 -7.862 -1.720 1.00 0.00 C ATOM 1192 C MET A 80 -4.687 -8.476 -1.183 1.00 0.00 C ATOM 1193 O MET A 80 -4.292 -9.567 -1.593 1.00 0.00 O ATOM 1194 CB MET A 80 -5.652 -6.638 -2.581 1.00 0.00 C ATOM 1195 CG MET A 80 -6.806 -6.194 -3.464 1.00 0.00 C ATOM 1196 SD MET A 80 -6.830 -7.042 -5.055 1.00 0.00 S ATOM 1197 CE MET A 80 -7.837 -8.471 -4.662 1.00 0.00 C ATOM 0 H MET A 80 -7.228 -6.537 -0.683 1.00 0.00 H new ATOM 0 HA MET A 80 -6.484 -8.606 -2.334 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.364 -5.812 -1.930 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.790 -6.864 -3.209 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.747 -6.377 -2.945 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.738 -5.119 -3.631 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.485 -8.703 -5.507 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.192 -9.325 -4.454 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.448 -8.256 -3.785 1.00 0.00 H new ATOM 1207 N ALA A 81 -4.037 -7.769 -0.265 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.794 -8.247 0.328 1.00 0.00 C ATOM 1209 C ALA A 81 -2.861 -9.744 0.612 1.00 0.00 C ATOM 1210 O ALA A 81 -1.978 -10.502 0.212 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.490 -7.479 1.605 1.00 0.00 C ATOM 0 H ALA A 81 -4.350 -6.863 0.084 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.989 -8.075 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.559 -7.846 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.390 -6.418 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.302 -7.622 2.318 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.914 -10.163 1.306 1.00 0.00 N ATOM 1218 CA ARG A 82 -4.095 -11.569 1.646 1.00 0.00 C ATOM 1219 C ARG A 82 -4.367 -12.400 0.395 1.00 0.00 C ATOM 1220 O ARG A 82 -3.748 -13.444 0.183 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.248 -11.731 2.639 1.00 0.00 C ATOM 1222 CG ARG A 82 -4.834 -11.543 4.089 1.00 0.00 C ATOM 1223 CD ARG A 82 -5.726 -12.336 5.032 1.00 0.00 C ATOM 1224 NE ARG A 82 -5.666 -11.827 6.399 1.00 0.00 N ATOM 1225 CZ ARG A 82 -6.242 -10.694 6.787 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -6.916 -9.957 5.915 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -6.144 -10.298 8.050 1.00 0.00 N ATOM 0 H ARG A 82 -4.655 -9.549 1.644 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.174 -11.927 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.029 -11.010 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.682 -12.724 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.798 -11.858 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.880 -10.485 4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.755 -12.297 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.424 -13.383 5.022 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.154 -12.371 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.993 -10.259 4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.357 -9.088 6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.626 -10.863 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.586 -9.428 8.348 1.00 0.00 H new ATOM 1241 N LYS A 83 -5.294 -11.930 -0.431 1.00 0.00 N ATOM 1242 CA LYS A 83 -5.648 -12.628 -1.662 1.00 0.00 C ATOM 1243 C LYS A 83 -4.398 -13.088 -2.405 1.00 0.00 C ATOM 1244 O LYS A 83 -4.299 -14.246 -2.813 1.00 0.00 O ATOM 1245 CB LYS A 83 -6.485 -11.720 -2.565 1.00 0.00 C ATOM 1246 CG LYS A 83 -7.980 -11.827 -2.319 1.00 0.00 C ATOM 1247 CD LYS A 83 -8.399 -11.050 -1.082 1.00 0.00 C ATOM 1248 CE LYS A 83 -9.897 -11.152 -0.842 1.00 0.00 C ATOM 1249 NZ LYS A 83 -10.663 -10.194 -1.686 1.00 0.00 N ATOM 0 H LYS A 83 -5.815 -11.068 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.236 -13.507 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.174 -10.686 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.278 -11.967 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.520 -11.450 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.256 -12.875 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.863 -11.431 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.118 -10.003 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.230 -12.168 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.110 -10.959 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.558 -9.954 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.102 -9.329 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.865 -10.629 -2.609 1.00 0.00 H new ATOM 1263 N ILE A 84 -3.446 -12.177 -2.574 1.00 0.00 N ATOM 1264 CA ILE A 84 -2.202 -12.491 -3.265 1.00 0.00 C ATOM 1265 C ILE A 84 -1.252 -13.269 -2.360 1.00 0.00 C ATOM 1266 O ILE A 84 -0.398 -14.016 -2.835 1.00 0.00 O ATOM 1267 CB ILE A 84 -1.494 -11.215 -3.758 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -1.192 -10.286 -2.580 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -2.347 -10.503 -4.796 1.00 0.00 C ATOM 1270 CD1 ILE A 84 -0.190 -9.201 -2.907 1.00 0.00 C ATOM 0 H ILE A 84 -3.513 -11.215 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.465 -13.106 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.550 -11.498 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.120 -9.823 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.814 -10.879 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.833 -9.603 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.516 -11.166 -5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.305 -10.229 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.025 -8.581 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.752 -9.656 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.575 -8.583 -3.718 1.00 0.00 H new ATOM 1282 N GLY A 85 -1.409 -13.090 -1.052 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.561 -13.783 -0.101 1.00 0.00 C ATOM 1284 C GLY A 85 -0.124 -12.890 1.044 1.00 0.00 C ATOM 1285 O GLY A 85 -0.403 -13.181 2.207 1.00 0.00 O ATOM 0 H GLY A 85 -2.109 -12.477 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.096 -14.645 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.320 -14.166 -0.616 1.00 0.00 H new ATOM 1289 N ALA A 86 0.563 -11.802 0.715 1.00 0.00 N ATOM 1290 CA ALA A 86 1.038 -10.864 1.726 1.00 0.00 C ATOM 1291 C ALA A 86 -0.043 -10.582 2.764 1.00 0.00 C ATOM 1292 O ALA A 86 -0.996 -9.851 2.498 1.00 0.00 O ATOM 1293 CB ALA A 86 1.494 -9.569 1.071 1.00 0.00 C ATOM 0 H ALA A 86 0.803 -11.548 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 86 1.887 -11.318 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.846 -8.878 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.304 -9.780 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.659 -9.120 0.533 1.00 0.00 H new ATOM 1299 N ARG A 87 0.113 -11.168 3.948 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.851 -10.980 5.026 1.00 0.00 C ATOM 1301 C ARG A 87 -0.655 -9.626 5.700 1.00 0.00 C ATOM 1302 O ARG A 87 0.454 -9.094 5.738 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.716 -12.100 6.059 1.00 0.00 C ATOM 1304 CG ARG A 87 -1.355 -13.409 5.625 1.00 0.00 C ATOM 1305 CD ARG A 87 -1.463 -14.388 6.784 1.00 0.00 C ATOM 1306 NE ARG A 87 -2.498 -13.995 7.737 1.00 0.00 N ATOM 1307 CZ ARG A 87 -2.655 -14.563 8.927 1.00 0.00 C ATOM 1308 NH1 ARG A 87 -1.848 -15.544 9.309 1.00 0.00 N ATOM 1309 NH2 ARG A 87 -3.619 -14.150 9.739 1.00 0.00 N ATOM 0 H ARG A 87 0.897 -11.776 4.184 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.852 -11.010 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.341 -12.271 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.171 -11.776 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.347 -13.214 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.765 -13.855 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.684 -15.383 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.503 -14.451 7.296 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.135 -13.243 7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.105 -15.864 8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.971 -15.978 10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.241 -13.395 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.738 -14.587 10.653 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.742 -9.071 6.229 1.00 0.00 N ATOM 1324 CA VAL A 88 -1.691 -7.780 6.902 1.00 0.00 C ATOM 1325 C VAL A 88 -2.720 -7.704 8.025 1.00 0.00 C ATOM 1326 O VAL A 88 -3.840 -8.197 7.889 1.00 0.00 O ATOM 1327 CB VAL A 88 -1.938 -6.623 5.916 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.336 -6.715 5.323 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -1.729 -5.282 6.604 1.00 0.00 C ATOM 0 H VAL A 88 -2.669 -9.497 6.204 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.690 -7.682 7.323 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.218 -6.704 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.492 -5.889 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.444 -7.661 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.075 -6.661 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.908 -4.476 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.423 -5.189 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.706 -5.219 6.974 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.332 -7.083 9.134 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.220 -6.944 10.282 1.00 0.00 C ATOM 1341 C TYR A 89 -3.593 -5.482 10.507 1.00 0.00 C ATOM 1342 O TYR A 89 -2.793 -4.696 11.012 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.557 -7.512 11.537 1.00 0.00 C ATOM 1344 CG TYR A 89 -3.542 -7.980 12.584 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.302 -9.126 12.388 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -3.712 -7.275 13.770 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.205 -9.556 13.341 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -4.611 -7.700 14.730 1.00 0.00 C ATOM 1349 CZ TYR A 89 -5.356 -8.841 14.511 1.00 0.00 C ATOM 1350 OH TYR A 89 -6.252 -9.267 15.463 1.00 0.00 O ATOM 0 H TYR A 89 -1.409 -6.668 9.262 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.131 -7.505 10.075 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.917 -8.348 11.253 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.911 -6.750 11.973 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.185 -9.691 11.475 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.132 -6.381 13.944 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.790 -10.448 13.171 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.730 -7.142 15.647 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.235 -8.653 16.226 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.818 -5.126 10.130 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.299 -3.760 10.293 1.00 0.00 C ATOM 1362 C ALA A 90 -6.788 -3.662 9.973 1.00 0.00 C ATOM 1363 O ALA A 90 -7.428 -4.659 9.637 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.504 -2.810 9.410 1.00 0.00 C ATOM 0 H ALA A 90 -5.494 -5.764 9.710 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.157 -3.473 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.875 -1.794 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.451 -2.851 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.616 -3.104 8.366 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.332 -2.455 10.082 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.746 -2.227 9.805 1.00 0.00 C ATOM 1372 C LEU A 91 -8.925 -1.167 8.723 1.00 0.00 C ATOM 1373 O LEU A 91 -8.256 -0.133 8.715 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.474 -1.798 11.080 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.997 -1.703 10.985 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.627 -3.078 11.140 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.538 -0.745 12.036 1.00 0.00 C ATOM 0 H LEU A 91 -6.816 -1.620 10.360 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.175 -3.162 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.223 -2.503 11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.088 -0.825 11.385 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.258 -1.315 10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.711 -2.991 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.264 -3.736 10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.358 -3.494 12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.623 -0.690 11.954 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.267 -1.104 13.029 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.111 0.246 11.879 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.850 -1.425 7.786 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.140 -0.504 6.684 1.00 0.00 C ATOM 1391 C PRO A 92 -10.835 0.768 7.159 1.00 0.00 C ATOM 1392 O PRO A 92 -10.456 1.873 6.774 1.00 0.00 O ATOM 1393 CB PRO A 92 -11.070 -1.316 5.779 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.713 -2.306 6.687 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.684 -2.638 7.733 1.00 0.00 C ATOM 0 HA PRO A 92 -9.231 -0.163 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.812 -0.678 5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.514 -1.812 4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.612 -1.891 7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.015 -3.199 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.145 -2.851 8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.100 -3.516 7.458 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.854 0.602 7.998 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.601 1.738 8.524 1.00 0.00 C ATOM 1405 C GLU A 93 -11.657 2.851 8.971 1.00 0.00 C ATOM 1406 O GLU A 93 -12.015 4.028 8.952 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.481 1.299 9.697 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.754 0.590 9.270 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.654 0.250 10.442 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.122 -0.102 11.516 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -16.891 0.336 10.287 1.00 0.00 O ATOM 0 H GLU A 93 -12.180 -0.307 8.327 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.236 2.123 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.906 0.637 10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.744 2.175 10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.300 1.222 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.495 -0.326 8.738 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.450 2.468 9.372 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.453 3.432 9.824 1.00 0.00 C ATOM 1420 C ASP A 94 -8.594 3.911 8.658 1.00 0.00 C ATOM 1421 O ASP A 94 -8.183 5.071 8.613 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.567 2.812 10.907 1.00 0.00 C ATOM 1423 CG ASP A 94 -9.326 2.541 12.190 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.756 3.515 12.843 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -9.491 1.355 12.541 1.00 0.00 O ATOM 0 H ASP A 94 -10.138 1.497 9.393 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.977 4.291 10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.143 1.879 10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.732 3.481 11.116 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.326 3.011 7.719 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.513 3.342 6.553 1.00 0.00 C ATOM 1432 C LEU A 95 -8.052 4.583 5.849 1.00 0.00 C ATOM 1433 O LEU A 95 -7.287 5.440 5.406 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.481 2.163 5.579 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.868 2.442 4.206 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.501 3.092 4.354 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.766 1.159 3.396 1.00 0.00 C ATOM 0 H LEU A 95 -8.659 2.047 7.741 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.499 3.552 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.925 1.349 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.502 1.810 5.434 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.520 3.133 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.080 3.283 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.602 4.034 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.839 2.426 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.328 1.377 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.136 0.444 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.761 0.735 3.259 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.374 4.675 5.749 1.00 0.00 N ATOM 1450 CA VAL A 96 -10.016 5.812 5.102 1.00 0.00 C ATOM 1451 C VAL A 96 -9.563 7.127 5.727 1.00 0.00 C ATOM 1452 O VAL A 96 -9.638 8.182 5.098 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.551 5.716 5.190 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.193 7.038 4.799 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -12.065 4.585 4.312 1.00 0.00 C ATOM 0 H VAL A 96 -10.022 3.974 6.109 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.718 5.789 4.054 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.825 5.498 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.277 6.950 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.849 7.823 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.913 7.290 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.151 4.532 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.781 4.771 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.632 3.641 4.644 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.093 7.055 6.968 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.629 8.241 7.678 1.00 0.00 C ATOM 1467 C GLU A 97 -7.109 8.234 7.813 1.00 0.00 C ATOM 1468 O GLU A 97 -6.552 8.846 8.724 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.273 8.318 9.064 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.788 8.435 9.024 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.371 8.910 10.341 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.173 10.096 10.683 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.024 8.099 11.029 1.00 0.00 O ATOM 0 H GLU A 97 -9.023 6.189 7.502 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.922 9.117 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.000 7.429 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.864 9.176 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.074 9.128 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.217 7.466 8.769 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.442 7.536 6.898 1.00 0.00 N ATOM 1481 CA VAL A 98 -4.987 7.449 6.912 1.00 0.00 C ATOM 1482 C VAL A 98 -4.463 7.265 8.332 1.00 0.00 C ATOM 1483 O VAL A 98 -3.606 8.019 8.791 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.344 8.706 6.298 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.851 8.497 6.095 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.024 9.065 4.986 1.00 0.00 C ATOM 0 H VAL A 98 -6.887 7.022 6.137 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.715 6.581 6.311 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.479 9.537 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.414 9.396 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.378 8.292 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.690 7.654 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.557 9.956 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.922 8.237 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.081 9.260 5.166 1.00 0.00 H new ATOM 1496 N ASN A 99 -4.982 6.255 9.023 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.567 5.970 10.391 1.00 0.00 C ATOM 1498 C ASN A 99 -3.183 5.327 10.416 1.00 0.00 C ATOM 1499 O ASN A 99 -2.974 4.228 9.901 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.581 5.053 11.075 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.690 5.826 11.762 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.883 5.711 12.973 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.423 6.621 10.991 1.00 0.00 N ATOM 0 H ASN A 99 -5.691 5.620 8.657 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.520 6.914 10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.015 4.381 10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.067 4.431 11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.182 7.168 11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.227 6.685 9.992 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.216 6.025 11.029 1.00 0.00 N ATOM 1511 CA PRO A 100 -0.837 5.540 11.137 1.00 0.00 C ATOM 1512 C PRO A 100 -0.712 4.350 12.083 1.00 0.00 C ATOM 1513 O PRO A 100 0.368 3.784 12.247 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.079 6.748 11.694 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.111 7.540 12.421 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.395 7.341 11.664 1.00 0.00 C ATOM 0 HA PRO A 100 -0.455 5.183 10.181 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.725 6.438 12.362 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.378 7.332 10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.209 7.200 13.452 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.839 8.595 12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.259 7.352 12.328 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.551 8.126 10.924 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.826 3.976 12.705 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.843 2.853 13.634 1.00 0.00 C ATOM 1526 C LYS A 101 -1.942 1.528 12.884 1.00 0.00 C ATOM 1527 O LYS A 101 -1.353 0.528 13.292 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.016 2.988 14.608 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.875 4.155 15.570 1.00 0.00 C ATOM 1530 CD LYS A 101 -3.333 5.458 14.936 1.00 0.00 C ATOM 1531 CE LYS A 101 -3.554 6.540 15.982 1.00 0.00 C ATOM 1532 NZ LYS A 101 -2.296 7.272 16.299 1.00 0.00 N ATOM 0 H LYS A 101 -2.729 4.435 12.582 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.909 2.864 14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.938 3.106 14.039 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.110 2.065 15.180 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.461 3.960 16.468 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.835 4.247 15.882 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.588 5.794 14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.258 5.290 14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.303 7.245 15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.951 6.090 16.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.489 8.000 17.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.589 6.604 16.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.930 7.723 15.436 1.00 0.00 H new ATOM 1546 N MET A 102 -2.690 1.529 11.785 1.00 0.00 N ATOM 1547 CA MET A 102 -2.864 0.328 10.978 1.00 0.00 C ATOM 1548 C MET A 102 -1.831 0.273 9.856 1.00 0.00 C ATOM 1549 O MET A 102 -1.263 -0.781 9.573 1.00 0.00 O ATOM 1550 CB MET A 102 -4.275 0.281 10.390 1.00 0.00 C ATOM 1551 CG MET A 102 -4.808 1.645 9.979 1.00 0.00 C ATOM 1552 SD MET A 102 -5.959 1.552 8.594 1.00 0.00 S ATOM 1553 CE MET A 102 -4.821 1.439 7.215 1.00 0.00 C ATOM 0 H MET A 102 -3.185 2.349 11.433 1.00 0.00 H new ATOM 0 HA MET A 102 -2.720 -0.537 11.625 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.276 -0.377 9.521 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.951 -0.158 11.124 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.307 2.108 10.831 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.973 2.291 9.709 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.253 0.809 6.438 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.636 2.435 6.813 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.881 1.004 7.554 1.00 0.00 H new ATOM 1563 N VAL A 103 -1.594 1.416 9.220 1.00 0.00 N ATOM 1564 CA VAL A 103 -0.630 1.499 8.129 1.00 0.00 C ATOM 1565 C VAL A 103 0.697 0.859 8.520 1.00 0.00 C ATOM 1566 O VAL A 103 1.503 0.504 7.661 1.00 0.00 O ATOM 1567 CB VAL A 103 -0.380 2.960 7.710 1.00 0.00 C ATOM 1568 CG1 VAL A 103 0.787 3.044 6.737 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -1.636 3.563 7.103 1.00 0.00 C ATOM 0 H VAL A 103 -2.057 2.298 9.442 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.058 0.956 7.286 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.123 3.536 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.949 4.084 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.687 2.654 7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.563 2.455 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.440 4.595 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.927 2.988 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.442 3.539 7.836 1.00 0.00 H new ATOM 1579 N MET A 104 0.918 0.714 9.823 1.00 0.00 N ATOM 1580 CA MET A 104 2.147 0.114 10.328 1.00 0.00 C ATOM 1581 C MET A 104 2.424 -1.219 9.641 1.00 0.00 C ATOM 1582 O MET A 104 3.560 -1.513 9.268 1.00 0.00 O ATOM 1583 CB MET A 104 2.058 -0.087 11.842 1.00 0.00 C ATOM 1584 CG MET A 104 0.942 -1.029 12.265 1.00 0.00 C ATOM 1585 SD MET A 104 0.913 -1.316 14.044 1.00 0.00 S ATOM 1586 CE MET A 104 -0.147 -2.757 14.137 1.00 0.00 C ATOM 0 H MET A 104 0.262 1.004 10.548 1.00 0.00 H new ATOM 0 HA MET A 104 2.970 0.794 10.107 1.00 0.00 H new ATOM 0 HB2 MET A 104 3.009 -0.477 12.205 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.907 0.881 12.321 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.016 -0.614 11.952 1.00 0.00 H new ATOM 0 HG3 MET A 104 1.061 -1.982 11.749 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.262 -3.057 15.178 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.124 -2.517 13.718 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.300 -3.574 13.571 1.00 0.00 H new ATOM 1596 N THR A 105 1.378 -2.023 9.477 1.00 0.00 N ATOM 1597 CA THR A 105 1.509 -3.325 8.837 1.00 0.00 C ATOM 1598 C THR A 105 1.174 -3.245 7.352 1.00 0.00 C ATOM 1599 O THR A 105 1.871 -3.821 6.516 1.00 0.00 O ATOM 1600 CB THR A 105 0.595 -4.373 9.501 1.00 0.00 C ATOM 1601 OG1 THR A 105 -0.647 -3.768 9.882 1.00 0.00 O ATOM 1602 CG2 THR A 105 1.265 -4.979 10.724 1.00 0.00 C ATOM 0 H THR A 105 0.431 -1.795 9.779 1.00 0.00 H new ATOM 0 HA THR A 105 2.548 -3.631 8.957 1.00 0.00 H new ATOM 0 HB THR A 105 0.406 -5.168 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.142 -4.378 10.467 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.600 -5.716 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.195 -5.463 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.480 -4.193 11.448 1.00 0.00 H new ATOM 1610 N VAL A 106 0.105 -2.525 7.029 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.321 -2.367 5.644 1.00 0.00 C ATOM 1612 C VAL A 106 0.879 -2.231 4.713 1.00 0.00 C ATOM 1613 O VAL A 106 1.008 -2.971 3.737 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.231 -1.137 5.473 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.669 -0.992 4.023 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.438 -1.235 6.395 1.00 0.00 C ATOM 0 H VAL A 106 -0.482 -2.041 7.708 1.00 0.00 H new ATOM 0 HA VAL A 106 -0.882 -3.264 5.381 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.664 -0.247 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.311 -0.117 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.791 -0.872 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.219 -1.883 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.070 -0.357 6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.008 -2.133 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.102 -1.285 7.431 1.00 0.00 H new ATOM 1626 N PHE A 107 1.755 -1.281 5.020 1.00 0.00 N ATOM 1627 CA PHE A 107 2.946 -1.047 4.211 1.00 0.00 C ATOM 1628 C PHE A 107 4.061 -2.016 4.592 1.00 0.00 C ATOM 1629 O PHE A 107 4.589 -2.734 3.743 1.00 0.00 O ATOM 1630 CB PHE A 107 3.427 0.396 4.379 1.00 0.00 C ATOM 1631 CG PHE A 107 2.813 1.352 3.397 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.733 1.028 2.053 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.315 2.574 3.819 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.170 1.906 1.147 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.750 3.456 2.918 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.676 3.121 1.579 1.00 0.00 C ATOM 0 H PHE A 107 1.663 -0.660 5.824 1.00 0.00 H new ATOM 0 HA PHE A 107 2.685 -1.215 3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.199 0.731 5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.511 0.424 4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 107 3.115 0.078 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.369 2.840 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.116 1.642 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.367 4.406 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.233 3.808 0.873 1.00 0.00 H new ATOM 1646 N ALA A 108 4.414 -2.028 5.873 1.00 0.00 N ATOM 1647 CA ALA A 108 5.465 -2.909 6.367 1.00 0.00 C ATOM 1648 C ALA A 108 5.406 -4.271 5.684 1.00 0.00 C ATOM 1649 O ALA A 108 6.367 -4.695 5.039 1.00 0.00 O ATOM 1650 CB ALA A 108 5.355 -3.068 7.876 1.00 0.00 C ATOM 0 H ALA A 108 3.988 -1.438 6.587 1.00 0.00 H new ATOM 0 HA ALA A 108 6.427 -2.454 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.146 -3.728 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.455 -2.093 8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.385 -3.497 8.127 1.00 0.00 H new ATOM 1656 N CYS A 109 4.275 -4.952 5.830 1.00 0.00 N ATOM 1657 CA CYS A 109 4.092 -6.268 5.228 1.00 0.00 C ATOM 1658 C CYS A 109 4.486 -6.253 3.755 1.00 0.00 C ATOM 1659 O CYS A 109 5.106 -7.193 3.257 1.00 0.00 O ATOM 1660 CB CYS A 109 2.639 -6.721 5.375 1.00 0.00 C ATOM 1661 SG CYS A 109 1.456 -5.719 4.445 1.00 0.00 S ATOM 0 H CYS A 109 3.471 -4.615 6.360 1.00 0.00 H new ATOM 0 HA CYS A 109 4.740 -6.972 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 109 2.558 -7.757 5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 109 2.368 -6.698 6.430 1.00 0.00 H new ATOM 0 HG CYS A 109 1.603 -4.467 4.763 1.00 0.00 H new ATOM 1667 N LEU A 110 4.123 -5.179 3.063 1.00 0.00 N ATOM 1668 CA LEU A 110 4.437 -5.040 1.645 1.00 0.00 C ATOM 1669 C LEU A 110 5.917 -4.734 1.442 1.00 0.00 C ATOM 1670 O LEU A 110 6.665 -5.558 0.915 1.00 0.00 O ATOM 1671 CB LEU A 110 3.585 -3.933 1.020 1.00 0.00 C ATOM 1672 CG LEU A 110 2.107 -4.261 0.811 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.380 -3.076 0.195 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.952 -5.498 -0.062 1.00 0.00 C ATOM 0 H LEU A 110 3.611 -4.391 3.461 1.00 0.00 H new ATOM 0 HA LEU A 110 4.210 -5.986 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.654 -3.048 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.018 -3.670 0.055 1.00 0.00 H new ATOM 0 HG LEU A 110 1.660 -4.470 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.329 -3.328 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.461 -2.215 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.828 -2.835 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.893 -5.716 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.415 -5.319 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.437 -6.347 0.420 1.00 0.00 H new