USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=24 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 104 MET CE :methyl 176:sc= -0.478 (180deg=-0.527) USER MOD Set 1.2: A 105 THR OG1 : rot 74:sc= 1.21 USER MOD Set 2.1: A 76 TYR OH : rot -114:sc= 0.0314 USER MOD Set 2.2: A 80 MET CE :methyl -161:sc= -1.55 (180deg=-2.32) USER MOD Set 3.1: A 38 SER OG : rot 66:sc= 1.25 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 17 ASN : amide:sc= 1.16 K(o=0.98,f=-3.1) USER MOD Set 4.2: A 28 SER OG : rot -163:sc= -0.18 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0199) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -40:sc= -0.15 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 25:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00876) USER MOD Single : A 39 THR OG1 : rot 8:sc= 0.875 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.09! C(o=-3.1!,f=-1.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.243 K(o=-0.24,f=-0.87) USER MOD Single : A 57 TYR OH : rot 63:sc= -1.37 USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0424 (180deg=-0.385) USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.804 USER MOD Single : A 64 ASN : amide:sc= -3.37! C(o=-3.4!,f=-2.5!) USER MOD Single : A 66 ASN : amide:sc= -1.16 K(o=-1.2,f=-9.7!) USER MOD Single : A 72 ASN : amide:sc= -1.09 K(o=-1.1,f=0.097) USER MOD Single : A 73 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.96) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= -0.0594 (180deg=-0.544) USER MOD Single : A 79 SER OG : rot -60:sc= 0.394 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 99 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.4!) USER MOD Single : A 101 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0272) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot -155:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.737 3.780 6.967 1.00 0.00 N ATOM 93 CA ASP A 10 12.732 4.919 6.056 1.00 0.00 C ATOM 94 C ASP A 10 12.444 4.470 4.626 1.00 0.00 C ATOM 95 O ASP A 10 11.804 5.187 3.858 1.00 0.00 O ATOM 96 CB ASP A 10 14.074 5.650 6.112 1.00 0.00 C ATOM 97 CG ASP A 10 14.326 6.494 4.878 1.00 0.00 C ATOM 98 OD1 ASP A 10 14.627 5.913 3.814 1.00 0.00 O ATOM 99 OD2 ASP A 10 14.223 7.734 4.976 1.00 0.00 O ATOM 0 HA ASP A 10 11.942 5.601 6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.101 6.287 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.877 4.921 6.220 1.00 0.00 H new ATOM 104 N ILE A 11 12.921 3.280 4.278 1.00 0.00 N ATOM 105 CA ILE A 11 12.715 2.736 2.941 1.00 0.00 C ATOM 106 C ILE A 11 11.249 2.381 2.713 1.00 0.00 C ATOM 107 O ILE A 11 10.823 2.161 1.579 1.00 0.00 O ATOM 108 CB ILE A 11 13.576 1.482 2.705 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.731 1.218 1.206 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.961 0.277 3.400 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.871 0.282 0.872 1.00 0.00 C ATOM 0 H ILE A 11 13.453 2.674 4.903 1.00 0.00 H new ATOM 0 HA ILE A 11 13.014 3.511 2.235 1.00 0.00 H new ATOM 0 HB ILE A 11 14.565 1.654 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.802 0.798 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.888 2.167 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.582 -0.601 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.899 0.468 4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.961 0.100 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.921 0.141 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.809 0.710 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.706 -0.680 1.357 1.00 0.00 H new ATOM 123 N ILE A 12 10.482 2.331 3.797 1.00 0.00 N ATOM 124 CA ILE A 12 9.063 2.009 3.714 1.00 0.00 C ATOM 125 C ILE A 12 8.356 2.894 2.694 1.00 0.00 C ATOM 126 O ILE A 12 7.411 2.465 2.032 1.00 0.00 O ATOM 127 CB ILE A 12 8.370 2.162 5.080 1.00 0.00 C ATOM 128 CG1 ILE A 12 9.051 1.277 6.126 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.893 1.816 4.967 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.305 1.211 7.440 1.00 0.00 C ATOM 0 H ILE A 12 10.820 2.509 4.743 1.00 0.00 H new ATOM 0 HA ILE A 12 8.994 0.969 3.396 1.00 0.00 H new ATOM 0 HB ILE A 12 8.457 3.201 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.154 0.269 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.058 1.653 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.417 1.929 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.416 2.485 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.786 0.786 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.845 0.566 8.133 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.224 2.212 7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.307 0.807 7.272 1.00 0.00 H new ATOM 142 N VAL A 13 8.820 4.134 2.572 1.00 0.00 N ATOM 143 CA VAL A 13 8.235 5.081 1.631 1.00 0.00 C ATOM 144 C VAL A 13 8.921 4.999 0.271 1.00 0.00 C ATOM 145 O VAL A 13 8.263 4.876 -0.761 1.00 0.00 O ATOM 146 CB VAL A 13 8.330 6.525 2.156 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.849 7.509 1.101 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.532 6.677 3.442 1.00 0.00 C ATOM 0 H VAL A 13 9.600 4.506 3.114 1.00 0.00 H new ATOM 0 HA VAL A 13 7.185 4.811 1.522 1.00 0.00 H new ATOM 0 HB VAL A 13 9.375 6.746 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.923 8.525 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.467 7.416 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.811 7.293 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.610 7.704 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.486 6.438 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.928 5.999 4.198 1.00 0.00 H new ATOM 158 N ASN A 14 10.248 5.070 0.279 1.00 0.00 N ATOM 159 CA ASN A 14 11.025 5.005 -0.954 1.00 0.00 C ATOM 160 C ASN A 14 10.539 3.862 -1.842 1.00 0.00 C ATOM 161 O ASN A 14 10.166 4.074 -2.995 1.00 0.00 O ATOM 162 CB ASN A 14 12.510 4.825 -0.637 1.00 0.00 C ATOM 163 CG ASN A 14 13.405 5.406 -1.715 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.979 6.483 -1.546 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.529 4.694 -2.828 1.00 0.00 N ATOM 0 H ASN A 14 10.808 5.173 1.125 1.00 0.00 H new ATOM 0 HA ASN A 14 10.888 5.943 -1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.736 5.303 0.316 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.728 3.763 -0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.119 5.034 -3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.034 3.807 -2.924 1.00 0.00 H new ATOM 172 N TRP A 15 10.549 2.652 -1.295 1.00 0.00 N ATOM 173 CA TRP A 15 10.110 1.476 -2.038 1.00 0.00 C ATOM 174 C TRP A 15 8.799 1.749 -2.766 1.00 0.00 C ATOM 175 O TRP A 15 8.768 1.845 -3.993 1.00 0.00 O ATOM 176 CB TRP A 15 9.944 0.284 -1.093 1.00 0.00 C ATOM 177 CG TRP A 15 9.526 -0.975 -1.791 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.245 -1.674 -2.719 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.292 -1.680 -1.621 1.00 0.00 C ATOM 180 NE1 TRP A 15 9.532 -2.772 -3.135 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.331 -2.800 -2.475 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.160 -1.478 -0.828 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.280 -3.710 -2.558 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.117 -2.380 -0.912 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.184 -3.486 -1.771 1.00 0.00 C ATOM 0 H TRP A 15 10.856 2.459 -0.341 1.00 0.00 H new ATOM 0 HA TRP A 15 10.873 1.240 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.886 0.107 -0.574 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.203 0.533 -0.333 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.229 -1.403 -3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 15 9.846 -3.456 -3.824 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.101 -0.631 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.329 -4.562 -3.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.236 -2.231 -0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.353 -4.175 -1.812 1.00 0.00 H new ATOM 196 N VAL A 16 7.718 1.875 -2.004 1.00 0.00 N ATOM 197 CA VAL A 16 6.404 2.140 -2.577 1.00 0.00 C ATOM 198 C VAL A 16 6.509 3.051 -3.795 1.00 0.00 C ATOM 199 O VAL A 16 5.931 2.772 -4.844 1.00 0.00 O ATOM 200 CB VAL A 16 5.461 2.786 -1.546 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.130 3.145 -2.190 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.254 1.859 -0.358 1.00 0.00 C ATOM 0 H VAL A 16 7.726 1.798 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 16 5.992 1.178 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 16 5.922 3.705 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.477 3.600 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.298 3.849 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.660 2.243 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.585 2.332 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.815 0.922 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.214 1.658 0.118 1.00 0.00 H new ATOM 212 N ASN A 17 7.253 4.143 -3.647 1.00 0.00 N ATOM 213 CA ASN A 17 7.434 5.097 -4.735 1.00 0.00 C ATOM 214 C ASN A 17 8.128 4.440 -5.926 1.00 0.00 C ATOM 215 O ASN A 17 7.756 4.668 -7.075 1.00 0.00 O ATOM 216 CB ASN A 17 8.251 6.299 -4.257 1.00 0.00 C ATOM 217 CG ASN A 17 7.415 7.287 -3.465 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.017 8.332 -3.979 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.145 6.958 -2.207 1.00 0.00 N ATOM 0 H ASN A 17 7.740 4.389 -2.785 1.00 0.00 H new ATOM 0 HA ASN A 17 6.449 5.438 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.079 5.950 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.687 6.805 -5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.587 7.582 -1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.496 6.081 -1.823 1.00 0.00 H new ATOM 226 N GLU A 18 9.136 3.622 -5.638 1.00 0.00 N ATOM 227 CA GLU A 18 9.881 2.932 -6.685 1.00 0.00 C ATOM 228 C GLU A 18 8.979 1.963 -7.446 1.00 0.00 C ATOM 229 O GLU A 18 8.691 2.161 -8.626 1.00 0.00 O ATOM 230 CB GLU A 18 11.068 2.177 -6.084 1.00 0.00 C ATOM 231 CG GLU A 18 12.329 3.015 -5.968 1.00 0.00 C ATOM 232 CD GLU A 18 13.569 2.176 -5.728 1.00 0.00 C ATOM 233 OE1 GLU A 18 14.007 1.482 -6.669 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.101 2.213 -4.599 1.00 0.00 O ATOM 0 H GLU A 18 9.455 3.421 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 18 10.253 3.680 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.792 1.813 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.279 1.302 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.460 3.596 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.213 3.727 -5.151 1.00 0.00 H new ATOM 241 N THR A 19 8.537 0.913 -6.760 1.00 0.00 N ATOM 242 CA THR A 19 7.671 -0.088 -7.370 1.00 0.00 C ATOM 243 C THR A 19 6.606 0.566 -8.242 1.00 0.00 C ATOM 244 O THR A 19 6.268 0.059 -9.313 1.00 0.00 O ATOM 245 CB THR A 19 6.982 -0.959 -6.303 1.00 0.00 C ATOM 246 OG1 THR A 19 6.732 -2.267 -6.825 1.00 0.00 O ATOM 247 CG2 THR A 19 5.672 -0.328 -5.853 1.00 0.00 C ATOM 0 H THR A 19 8.765 0.734 -5.782 1.00 0.00 H new ATOM 0 HA THR A 19 8.306 -0.721 -7.990 1.00 0.00 H new ATOM 0 HB THR A 19 7.646 -1.033 -5.442 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.295 -2.815 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.203 -0.961 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.869 0.656 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.004 -0.227 -6.708 1.00 0.00 H new ATOM 255 N LEU A 20 6.079 1.694 -7.780 1.00 0.00 N ATOM 256 CA LEU A 20 5.051 2.419 -8.519 1.00 0.00 C ATOM 257 C LEU A 20 5.657 3.166 -9.702 1.00 0.00 C ATOM 258 O LEU A 20 5.095 3.174 -10.797 1.00 0.00 O ATOM 259 CB LEU A 20 4.328 3.401 -7.596 1.00 0.00 C ATOM 260 CG LEU A 20 3.557 2.782 -6.429 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.325 3.814 -5.336 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.234 2.205 -6.909 1.00 0.00 C ATOM 0 H LEU A 20 6.347 2.127 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 20 4.332 1.694 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.063 4.097 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.631 3.987 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 20 4.155 1.970 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.775 3.356 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.285 4.180 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.749 4.647 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.700 1.769 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.630 2.998 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.423 1.434 -7.656 1.00 0.00 H new ATOM 274 N ARG A 21 6.806 3.793 -9.474 1.00 0.00 N ATOM 275 CA ARG A 21 7.489 4.544 -10.520 1.00 0.00 C ATOM 276 C ARG A 21 7.881 3.628 -11.677 1.00 0.00 C ATOM 277 O ARG A 21 7.507 3.867 -12.824 1.00 0.00 O ATOM 278 CB ARG A 21 8.732 5.233 -9.957 1.00 0.00 C ATOM 279 CG ARG A 21 8.463 6.630 -9.418 1.00 0.00 C ATOM 280 CD ARG A 21 9.697 7.512 -9.518 1.00 0.00 C ATOM 281 NE ARG A 21 9.512 8.791 -8.837 1.00 0.00 N ATOM 282 CZ ARG A 21 10.322 9.831 -8.995 1.00 0.00 C ATOM 283 NH1 ARG A 21 11.367 9.746 -9.809 1.00 0.00 N ATOM 284 NH2 ARG A 21 10.088 10.961 -8.341 1.00 0.00 N ATOM 0 H ARG A 21 7.284 3.796 -8.573 1.00 0.00 H new ATOM 0 HA ARG A 21 6.802 5.303 -10.895 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.147 4.618 -9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.489 5.294 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.643 7.084 -9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.144 6.565 -8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.551 6.991 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.931 7.691 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 21 8.717 8.891 -8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.550 8.880 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.987 10.547 -9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.285 11.032 -7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.711 11.759 -8.463 1.00 0.00 H new ATOM 298 N GLU A 22 8.640 2.582 -11.365 1.00 0.00 N ATOM 299 CA GLU A 22 9.085 1.633 -12.379 1.00 0.00 C ATOM 300 C GLU A 22 7.893 0.998 -13.090 1.00 0.00 C ATOM 301 O GLU A 22 7.991 0.593 -14.248 1.00 0.00 O ATOM 302 CB GLU A 22 9.953 0.545 -11.744 1.00 0.00 C ATOM 303 CG GLU A 22 11.073 1.091 -10.874 1.00 0.00 C ATOM 304 CD GLU A 22 12.357 1.317 -11.650 1.00 0.00 C ATOM 305 OE1 GLU A 22 12.280 1.516 -12.881 1.00 0.00 O ATOM 306 OE2 GLU A 22 13.438 1.297 -11.027 1.00 0.00 O ATOM 0 H GLU A 22 8.959 2.371 -10.420 1.00 0.00 H new ATOM 0 HA GLU A 22 9.677 2.177 -13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.321 -0.107 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.384 -0.071 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.754 2.032 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.264 0.396 -10.056 1.00 0.00 H new ATOM 313 N ALA A 23 6.768 0.914 -12.387 1.00 0.00 N ATOM 314 CA ALA A 23 5.557 0.330 -12.949 1.00 0.00 C ATOM 315 C ALA A 23 4.715 1.387 -13.656 1.00 0.00 C ATOM 316 O ALA A 23 3.718 1.069 -14.302 1.00 0.00 O ATOM 317 CB ALA A 23 4.745 -0.353 -11.860 1.00 0.00 C ATOM 0 H ALA A 23 6.671 1.243 -11.427 1.00 0.00 H new ATOM 0 HA ALA A 23 5.852 -0.416 -13.687 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.843 -0.784 -12.295 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.341 -1.143 -11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.467 0.378 -11.101 1.00 0.00 H new ATOM 323 N GLU A 24 5.123 2.646 -13.527 1.00 0.00 N ATOM 324 CA GLU A 24 4.404 3.749 -14.152 1.00 0.00 C ATOM 325 C GLU A 24 3.003 3.889 -13.563 1.00 0.00 C ATOM 326 O GLU A 24 2.011 3.920 -14.291 1.00 0.00 O ATOM 327 CB GLU A 24 4.313 3.536 -15.665 1.00 0.00 C ATOM 328 CG GLU A 24 5.495 2.776 -16.244 1.00 0.00 C ATOM 329 CD GLU A 24 5.244 1.283 -16.323 1.00 0.00 C ATOM 330 OE1 GLU A 24 4.147 0.887 -16.769 1.00 0.00 O ATOM 331 OE2 GLU A 24 6.147 0.509 -15.940 1.00 0.00 O ATOM 0 H GLU A 24 5.947 2.927 -12.996 1.00 0.00 H new ATOM 0 HA GLU A 24 4.957 4.667 -13.954 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.396 2.993 -15.893 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.239 4.506 -16.156 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.714 3.157 -17.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.377 2.961 -15.631 1.00 0.00 H new ATOM 338 N LYS A 25 2.930 3.972 -12.239 1.00 0.00 N ATOM 339 CA LYS A 25 1.653 4.109 -11.549 1.00 0.00 C ATOM 340 C LYS A 25 1.340 5.576 -11.269 1.00 0.00 C ATOM 341 O LYS A 25 2.240 6.372 -10.999 1.00 0.00 O ATOM 342 CB LYS A 25 1.671 3.322 -10.238 1.00 0.00 C ATOM 343 CG LYS A 25 1.132 1.908 -10.370 1.00 0.00 C ATOM 344 CD LYS A 25 1.782 1.169 -11.527 1.00 0.00 C ATOM 345 CE LYS A 25 0.899 0.039 -12.034 1.00 0.00 C ATOM 346 NZ LYS A 25 -0.225 0.545 -12.869 1.00 0.00 N ATOM 0 H LYS A 25 3.742 3.947 -11.622 1.00 0.00 H new ATOM 0 HA LYS A 25 0.874 3.706 -12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.694 3.278 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.082 3.858 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.309 1.362 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.053 1.942 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.983 1.868 -12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.743 0.766 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.500 -0.658 -12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.500 -0.518 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.743 -0.259 -13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.870 1.108 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.152 1.140 -13.635 1.00 0.00 H new ATOM 360 N SER A 26 0.060 5.926 -11.335 1.00 0.00 N ATOM 361 CA SER A 26 -0.371 7.299 -11.091 1.00 0.00 C ATOM 362 C SER A 26 -0.635 7.528 -9.607 1.00 0.00 C ATOM 363 O SER A 26 -1.265 8.514 -9.223 1.00 0.00 O ATOM 364 CB SER A 26 -1.631 7.611 -11.901 1.00 0.00 C ATOM 365 OG SER A 26 -1.326 7.776 -13.275 1.00 0.00 O ATOM 0 H SER A 26 -0.697 5.279 -11.555 1.00 0.00 H new ATOM 0 HA SER A 26 0.429 7.968 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.354 6.804 -11.780 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.098 8.518 -11.518 1.00 0.00 H new ATOM 0 HG SER A 26 -2.148 7.973 -13.771 1.00 0.00 H new ATOM 371 N SER A 27 -0.151 6.611 -8.776 1.00 0.00 N ATOM 372 CA SER A 27 -0.338 6.709 -7.334 1.00 0.00 C ATOM 373 C SER A 27 1.004 6.687 -6.608 1.00 0.00 C ATOM 374 O SER A 27 1.993 6.166 -7.126 1.00 0.00 O ATOM 375 CB SER A 27 -1.221 5.565 -6.833 1.00 0.00 C ATOM 376 OG SER A 27 -2.491 5.588 -7.461 1.00 0.00 O ATOM 0 H SER A 27 0.374 5.790 -9.078 1.00 0.00 H new ATOM 0 HA SER A 27 -0.830 7.658 -7.121 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.732 4.611 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.345 5.643 -5.753 1.00 0.00 H new ATOM 0 HG SER A 27 -2.799 6.515 -7.541 1.00 0.00 H new ATOM 382 N SER A 28 1.030 7.255 -5.407 1.00 0.00 N ATOM 383 CA SER A 28 2.252 7.304 -4.611 1.00 0.00 C ATOM 384 C SER A 28 1.977 7.890 -3.230 1.00 0.00 C ATOM 385 O SER A 28 0.836 8.216 -2.898 1.00 0.00 O ATOM 386 CB SER A 28 3.319 8.134 -5.326 1.00 0.00 C ATOM 387 OG SER A 28 4.586 7.972 -4.714 1.00 0.00 O ATOM 0 H SER A 28 0.220 7.688 -4.963 1.00 0.00 H new ATOM 0 HA SER A 28 2.617 6.284 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.376 7.835 -6.373 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.036 9.187 -5.311 1.00 0.00 H new ATOM 0 HG SER A 28 5.180 8.699 -4.995 1.00 0.00 H new ATOM 393 N ILE A 29 3.029 8.020 -2.429 1.00 0.00 N ATOM 394 CA ILE A 29 2.901 8.567 -1.084 1.00 0.00 C ATOM 395 C ILE A 29 4.103 9.436 -0.729 1.00 0.00 C ATOM 396 O ILE A 29 5.210 9.213 -1.218 1.00 0.00 O ATOM 397 CB ILE A 29 2.761 7.451 -0.033 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.796 6.353 -0.282 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.353 6.875 -0.057 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.193 5.600 0.969 1.00 0.00 C ATOM 0 H ILE A 29 3.979 7.754 -2.688 1.00 0.00 H new ATOM 0 HA ILE A 29 1.998 9.177 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 29 2.942 7.877 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.396 5.647 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.686 6.798 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.269 6.087 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.634 7.663 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.146 6.461 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.929 4.837 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.623 6.295 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.313 5.125 1.402 1.00 0.00 H new ATOM 412 N SER A 30 3.877 10.428 0.127 1.00 0.00 N ATOM 413 CA SER A 30 4.941 11.332 0.548 1.00 0.00 C ATOM 414 C SER A 30 5.448 10.966 1.939 1.00 0.00 C ATOM 415 O SER A 30 6.634 11.106 2.237 1.00 0.00 O ATOM 416 CB SER A 30 4.442 12.779 0.539 1.00 0.00 C ATOM 417 OG SER A 30 5.366 13.640 1.180 1.00 0.00 O ATOM 0 H SER A 30 2.967 10.626 0.542 1.00 0.00 H new ATOM 0 HA SER A 30 5.767 11.234 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.287 13.107 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.477 12.837 1.042 1.00 0.00 H new ATOM 0 HG SER A 30 5.025 14.559 1.160 1.00 0.00 H new ATOM 423 N SER A 31 4.539 10.493 2.788 1.00 0.00 N ATOM 424 CA SER A 31 4.892 10.110 4.149 1.00 0.00 C ATOM 425 C SER A 31 3.775 9.293 4.790 1.00 0.00 C ATOM 426 O SER A 31 2.679 9.181 4.241 1.00 0.00 O ATOM 427 CB SER A 31 5.180 11.353 4.994 1.00 0.00 C ATOM 428 OG SER A 31 6.513 11.796 4.811 1.00 0.00 O ATOM 0 H SER A 31 3.554 10.366 2.556 1.00 0.00 H new ATOM 0 HA SER A 31 5.790 9.494 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.488 12.150 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.009 11.128 6.047 1.00 0.00 H new ATOM 0 HG SER A 31 6.843 11.491 3.940 1.00 0.00 H new ATOM 434 N PHE A 32 4.061 8.722 5.956 1.00 0.00 N ATOM 435 CA PHE A 32 3.082 7.914 6.673 1.00 0.00 C ATOM 436 C PHE A 32 1.773 8.677 6.852 1.00 0.00 C ATOM 437 O PHE A 32 0.714 8.081 7.047 1.00 0.00 O ATOM 438 CB PHE A 32 3.633 7.498 8.037 1.00 0.00 C ATOM 439 CG PHE A 32 4.753 6.500 7.952 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.508 5.198 7.544 1.00 0.00 C ATOM 441 CD2 PHE A 32 6.049 6.862 8.281 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.536 4.277 7.466 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.081 5.946 8.204 1.00 0.00 C ATOM 444 CZ PHE A 32 6.824 4.651 7.796 1.00 0.00 C ATOM 0 H PHE A 32 4.963 8.804 6.424 1.00 0.00 H new ATOM 0 HA PHE A 32 2.883 7.020 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.986 8.385 8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.824 7.075 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.503 4.900 7.284 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.255 7.872 8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.332 3.265 7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.087 6.242 8.462 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.628 3.933 7.735 1.00 0.00 H new ATOM 454 N LYS A 33 1.854 10.002 6.785 1.00 0.00 N ATOM 455 CA LYS A 33 0.677 10.849 6.939 1.00 0.00 C ATOM 456 C LYS A 33 0.271 11.464 5.602 1.00 0.00 C ATOM 457 O LYS A 33 -0.046 12.651 5.525 1.00 0.00 O ATOM 458 CB LYS A 33 0.951 11.957 7.959 1.00 0.00 C ATOM 459 CG LYS A 33 1.135 11.445 9.377 1.00 0.00 C ATOM 460 CD LYS A 33 0.922 12.548 10.400 1.00 0.00 C ATOM 461 CE LYS A 33 -0.543 12.665 10.794 1.00 0.00 C ATOM 462 NZ LYS A 33 -0.770 13.779 11.757 1.00 0.00 N ATOM 0 H LYS A 33 2.723 10.512 6.625 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.143 10.227 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.846 12.502 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.124 12.667 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.433 10.632 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.138 11.033 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.524 12.345 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.267 13.497 9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.147 12.827 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.876 11.727 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.780 13.826 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.213 13.612 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.476 14.678 11.324 1.00 0.00 H new ATOM 476 N ASP A 34 0.282 10.649 4.553 1.00 0.00 N ATOM 477 CA ASP A 34 -0.088 11.112 3.221 1.00 0.00 C ATOM 478 C ASP A 34 -1.604 11.119 3.050 1.00 0.00 C ATOM 479 O ASP A 34 -2.305 10.203 3.479 1.00 0.00 O ATOM 480 CB ASP A 34 0.555 10.225 2.154 1.00 0.00 C ATOM 481 CG ASP A 34 -0.102 10.385 0.797 1.00 0.00 C ATOM 482 OD1 ASP A 34 -1.212 9.848 0.608 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.496 11.049 -0.078 1.00 0.00 O ATOM 0 H ASP A 34 0.543 9.664 4.600 1.00 0.00 H new ATOM 0 HA ASP A 34 0.277 12.132 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.614 10.469 2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.491 9.182 2.465 1.00 0.00 H new ATOM 488 N PRO A 35 -2.122 12.176 2.408 1.00 0.00 N ATOM 489 CA PRO A 35 -3.560 12.329 2.166 1.00 0.00 C ATOM 490 C PRO A 35 -4.084 11.327 1.142 1.00 0.00 C ATOM 491 O PRO A 35 -5.140 10.724 1.334 1.00 0.00 O ATOM 492 CB PRO A 35 -3.680 13.756 1.626 1.00 0.00 C ATOM 493 CG PRO A 35 -2.346 14.048 1.030 1.00 0.00 C ATOM 494 CD PRO A 35 -1.344 13.305 1.869 1.00 0.00 C ATOM 0 HA PRO A 35 -4.146 12.149 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.472 13.832 0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.922 14.461 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.303 13.721 -0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.142 15.119 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.497 12.962 1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.942 13.932 2.665 1.00 0.00 H new ATOM 502 N LYS A 36 -3.339 11.154 0.056 1.00 0.00 N ATOM 503 CA LYS A 36 -3.728 10.224 -0.998 1.00 0.00 C ATOM 504 C LYS A 36 -4.087 8.861 -0.416 1.00 0.00 C ATOM 505 O LYS A 36 -4.922 8.142 -0.965 1.00 0.00 O ATOM 506 CB LYS A 36 -2.595 10.072 -2.016 1.00 0.00 C ATOM 507 CG LYS A 36 -2.179 11.383 -2.661 1.00 0.00 C ATOM 508 CD LYS A 36 -3.267 11.927 -3.571 1.00 0.00 C ATOM 509 CE LYS A 36 -2.692 12.835 -4.647 1.00 0.00 C ATOM 510 NZ LYS A 36 -2.053 12.058 -5.745 1.00 0.00 N ATOM 0 H LYS A 36 -2.462 11.645 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.607 10.629 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.730 9.629 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.908 9.376 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.952 12.115 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.265 11.233 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.799 11.099 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.996 12.480 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.486 13.459 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.957 13.506 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.288 12.621 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.662 11.174 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.763 11.836 -6.472 1.00 0.00 H new ATOM 524 N ILE A 37 -3.453 8.513 0.699 1.00 0.00 N ATOM 525 CA ILE A 37 -3.709 7.237 1.356 1.00 0.00 C ATOM 526 C ILE A 37 -5.192 7.068 1.670 1.00 0.00 C ATOM 527 O ILE A 37 -5.713 5.953 1.671 1.00 0.00 O ATOM 528 CB ILE A 37 -2.902 7.105 2.662 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.402 7.078 2.359 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.318 5.851 3.417 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.547 6.777 3.570 1.00 0.00 C ATOM 0 H ILE A 37 -2.759 9.096 1.166 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.395 6.456 0.663 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.111 7.970 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.208 6.329 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.106 8.042 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.739 5.772 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.379 5.908 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.134 4.974 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.504 6.774 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.712 7.540 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.816 5.800 3.972 1.00 0.00 H new ATOM 543 N SER A 38 -5.867 8.182 1.935 1.00 0.00 N ATOM 544 CA SER A 38 -7.290 8.158 2.251 1.00 0.00 C ATOM 545 C SER A 38 -8.083 7.486 1.134 1.00 0.00 C ATOM 546 O SER A 38 -9.064 6.784 1.388 1.00 0.00 O ATOM 547 CB SER A 38 -7.808 9.579 2.476 1.00 0.00 C ATOM 548 OG SER A 38 -9.107 9.564 3.043 1.00 0.00 O ATOM 0 H SER A 38 -5.451 9.113 1.937 1.00 0.00 H new ATOM 0 HA SER A 38 -7.424 7.581 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.127 10.118 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.828 10.117 1.528 1.00 0.00 H new ATOM 0 HG SER A 38 -9.065 9.185 3.946 1.00 0.00 H new ATOM 554 N THR A 39 -7.652 7.704 -0.104 1.00 0.00 N ATOM 555 CA THR A 39 -8.321 7.122 -1.261 1.00 0.00 C ATOM 556 C THR A 39 -7.805 5.715 -1.544 1.00 0.00 C ATOM 557 O THR A 39 -8.357 4.998 -2.377 1.00 0.00 O ATOM 558 CB THR A 39 -8.127 7.991 -2.518 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.742 8.314 -2.681 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.945 9.269 -2.423 1.00 0.00 C ATOM 0 H THR A 39 -6.842 8.280 -0.332 1.00 0.00 H new ATOM 0 HA THR A 39 -9.383 7.075 -1.022 1.00 0.00 H new ATOM 0 HB THR A 39 -8.470 7.423 -3.383 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.209 7.805 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.792 9.867 -3.322 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.002 9.019 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.629 9.839 -1.550 1.00 0.00 H new ATOM 568 N SER A 40 -6.744 5.328 -0.844 1.00 0.00 N ATOM 569 CA SER A 40 -6.151 4.008 -1.024 1.00 0.00 C ATOM 570 C SER A 40 -5.493 3.889 -2.395 1.00 0.00 C ATOM 571 O SER A 40 -5.370 2.793 -2.945 1.00 0.00 O ATOM 572 CB SER A 40 -7.215 2.921 -0.861 1.00 0.00 C ATOM 573 OG SER A 40 -8.037 3.177 0.266 1.00 0.00 O ATOM 0 H SER A 40 -6.277 5.909 -0.147 1.00 0.00 H new ATOM 0 HA SER A 40 -5.385 3.875 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.830 2.872 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.733 1.950 -0.751 1.00 0.00 H new ATOM 0 HG SER A 40 -8.710 2.469 0.348 1.00 0.00 H new ATOM 579 N LEU A 41 -5.071 5.023 -2.942 1.00 0.00 N ATOM 580 CA LEU A 41 -4.425 5.049 -4.250 1.00 0.00 C ATOM 581 C LEU A 41 -3.056 4.380 -4.194 1.00 0.00 C ATOM 582 O LEU A 41 -2.749 3.472 -4.967 1.00 0.00 O ATOM 583 CB LEU A 41 -4.281 6.490 -4.741 1.00 0.00 C ATOM 584 CG LEU A 41 -5.499 7.081 -5.454 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.251 8.537 -5.816 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.834 6.270 -6.698 1.00 0.00 C ATOM 0 H LEU A 41 -5.164 5.938 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.052 4.495 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.044 7.122 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.429 6.538 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.351 7.037 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.128 8.940 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.060 9.110 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.387 8.606 -6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.703 6.704 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.984 6.282 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.055 5.241 -6.413 1.00 0.00 H new ATOM 598 N PRO A 42 -2.212 4.835 -3.255 1.00 0.00 N ATOM 599 CA PRO A 42 -0.863 4.293 -3.073 1.00 0.00 C ATOM 600 C PRO A 42 -0.879 2.874 -2.511 1.00 0.00 C ATOM 601 O PRO A 42 0.001 2.068 -2.810 1.00 0.00 O ATOM 602 CB PRO A 42 -0.224 5.258 -2.072 1.00 0.00 C ATOM 603 CG PRO A 42 -1.372 5.838 -1.321 1.00 0.00 C ATOM 604 CD PRO A 42 -2.511 5.914 -2.299 1.00 0.00 C ATOM 0 HA PRO A 42 -0.323 4.219 -4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.464 4.739 -1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.349 6.033 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.633 5.215 -0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.125 6.826 -0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.472 5.762 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.554 6.886 -2.791 1.00 0.00 H new ATOM 612 N VAL A 43 -1.885 2.578 -1.695 1.00 0.00 N ATOM 613 CA VAL A 43 -2.016 1.257 -1.092 1.00 0.00 C ATOM 614 C VAL A 43 -2.502 0.233 -2.111 1.00 0.00 C ATOM 615 O VAL A 43 -2.093 -0.929 -2.085 1.00 0.00 O ATOM 616 CB VAL A 43 -2.990 1.279 0.102 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.878 -0.008 0.906 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.727 2.492 0.981 1.00 0.00 C ATOM 0 H VAL A 43 -2.621 3.235 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.025 0.971 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.008 1.351 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.573 0.025 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.120 -0.858 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.860 -0.115 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.424 2.492 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.705 2.453 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.863 3.402 0.396 1.00 0.00 H new ATOM 628 N LEU A 44 -3.376 0.671 -3.011 1.00 0.00 N ATOM 629 CA LEU A 44 -3.919 -0.207 -4.041 1.00 0.00 C ATOM 630 C LEU A 44 -2.910 -0.415 -5.166 1.00 0.00 C ATOM 631 O LEU A 44 -2.593 -1.548 -5.527 1.00 0.00 O ATOM 632 CB LEU A 44 -5.216 0.376 -4.606 1.00 0.00 C ATOM 633 CG LEU A 44 -6.445 0.278 -3.702 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.546 1.205 -4.196 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.944 -1.158 -3.634 1.00 0.00 C ATOM 0 H LEU A 44 -3.724 1.629 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.131 -1.173 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.046 1.426 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.439 -0.130 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.160 0.590 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.413 1.122 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.185 2.233 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.830 0.925 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.819 -1.209 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.213 -1.498 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.158 -1.798 -3.233 1.00 0.00 H new ATOM 647 N ASP A 45 -2.407 0.685 -5.713 1.00 0.00 N ATOM 648 CA ASP A 45 -1.430 0.624 -6.795 1.00 0.00 C ATOM 649 C ASP A 45 -0.163 -0.094 -6.342 1.00 0.00 C ATOM 650 O ASP A 45 0.389 -0.919 -7.070 1.00 0.00 O ATOM 651 CB ASP A 45 -1.087 2.033 -7.281 1.00 0.00 C ATOM 652 CG ASP A 45 -2.158 2.611 -8.183 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.352 2.337 -7.937 1.00 0.00 O ATOM 654 OD2 ASP A 45 -1.804 3.337 -9.136 1.00 0.00 O ATOM 0 H ASP A 45 -2.659 1.631 -5.426 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.870 0.062 -7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.949 2.687 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.139 2.008 -7.818 1.00 0.00 H new ATOM 659 N LEU A 46 0.294 0.225 -5.136 1.00 0.00 N ATOM 660 CA LEU A 46 1.497 -0.389 -4.585 1.00 0.00 C ATOM 661 C LEU A 46 1.480 -1.900 -4.791 1.00 0.00 C ATOM 662 O LEU A 46 2.477 -2.492 -5.204 1.00 0.00 O ATOM 663 CB LEU A 46 1.623 -0.066 -3.096 1.00 0.00 C ATOM 664 CG LEU A 46 2.602 -0.932 -2.302 1.00 0.00 C ATOM 665 CD1 LEU A 46 3.989 -0.873 -2.922 1.00 0.00 C ATOM 666 CD2 LEU A 46 2.648 -0.488 -0.847 1.00 0.00 C ATOM 0 H LEU A 46 -0.151 0.906 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 46 2.358 0.021 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.926 0.976 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.637 -0.156 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 46 2.254 -1.964 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.673 -1.495 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.945 -1.239 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.345 0.157 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.350 -1.115 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.972 0.551 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.655 -0.582 -0.406 1.00 0.00 H new ATOM 678 N ILE A 47 0.339 -2.518 -4.501 1.00 0.00 N ATOM 679 CA ILE A 47 0.192 -3.960 -4.657 1.00 0.00 C ATOM 680 C ILE A 47 0.357 -4.375 -6.115 1.00 0.00 C ATOM 681 O ILE A 47 1.267 -5.132 -6.456 1.00 0.00 O ATOM 682 CB ILE A 47 -1.180 -4.443 -4.151 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.396 -4.004 -2.701 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.287 -5.955 -4.274 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.853 -3.863 -2.324 1.00 0.00 C ATOM 0 H ILE A 47 -0.496 -2.043 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 47 0.976 -4.424 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.958 -3.992 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.926 -4.729 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.893 -3.050 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.262 -6.281 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.172 -6.244 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.504 -6.425 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.931 -3.549 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.324 -3.117 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.357 -4.821 -2.453 1.00 0.00 H new ATOM 697 N ASP A 48 -0.526 -3.874 -6.972 1.00 0.00 N ATOM 698 CA ASP A 48 -0.476 -4.190 -8.394 1.00 0.00 C ATOM 699 C ASP A 48 0.943 -4.048 -8.933 1.00 0.00 C ATOM 700 O ASP A 48 1.440 -4.924 -9.641 1.00 0.00 O ATOM 701 CB ASP A 48 -1.425 -3.278 -9.174 1.00 0.00 C ATOM 702 CG ASP A 48 -1.743 -3.819 -10.554 1.00 0.00 C ATOM 703 OD1 ASP A 48 -2.296 -4.935 -10.642 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.438 -3.126 -11.548 1.00 0.00 O ATOM 0 H ASP A 48 -1.285 -3.247 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.792 -5.225 -8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.351 -3.156 -8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.977 -2.289 -9.269 1.00 0.00 H new ATOM 709 N ALA A 49 1.592 -2.939 -8.594 1.00 0.00 N ATOM 710 CA ALA A 49 2.955 -2.683 -9.043 1.00 0.00 C ATOM 711 C ALA A 49 3.800 -3.950 -8.983 1.00 0.00 C ATOM 712 O ALA A 49 4.541 -4.258 -9.918 1.00 0.00 O ATOM 713 CB ALA A 49 3.589 -1.584 -8.203 1.00 0.00 C ATOM 0 H ALA A 49 1.195 -2.203 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 49 2.913 -2.354 -10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.607 -1.403 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.005 -0.669 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.611 -1.892 -7.158 1.00 0.00 H new ATOM 719 N ILE A 50 3.684 -4.682 -7.880 1.00 0.00 N ATOM 720 CA ILE A 50 4.437 -5.917 -7.700 1.00 0.00 C ATOM 721 C ILE A 50 3.861 -7.041 -8.555 1.00 0.00 C ATOM 722 O ILE A 50 4.588 -7.710 -9.289 1.00 0.00 O ATOM 723 CB ILE A 50 4.448 -6.361 -6.226 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.833 -5.189 -5.320 1.00 0.00 C ATOM 725 CG2 ILE A 50 5.407 -7.526 -6.030 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.418 -5.378 -3.879 1.00 0.00 C ATOM 0 H ILE A 50 3.076 -4.441 -7.098 1.00 0.00 H new ATOM 0 HA ILE A 50 5.460 -5.712 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 50 3.445 -6.692 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.913 -5.047 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.376 -4.277 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.403 -7.828 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.092 -8.365 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.414 -7.221 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.723 -4.509 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.335 -5.490 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.896 -6.271 -3.477 1.00 0.00 H new ATOM 738 N GLN A 51 2.552 -7.243 -8.452 1.00 0.00 N ATOM 739 CA GLN A 51 1.878 -8.286 -9.216 1.00 0.00 C ATOM 740 C GLN A 51 0.741 -7.703 -10.049 1.00 0.00 C ATOM 741 O GLN A 51 -0.392 -7.565 -9.587 1.00 0.00 O ATOM 742 CB GLN A 51 1.337 -9.366 -8.278 1.00 0.00 C ATOM 743 CG GLN A 51 0.841 -10.608 -9.002 1.00 0.00 C ATOM 744 CD GLN A 51 0.929 -11.856 -8.145 1.00 0.00 C ATOM 745 OE1 GLN A 51 1.990 -12.473 -8.034 1.00 0.00 O ATOM 746 NE2 GLN A 51 -0.187 -12.236 -7.536 1.00 0.00 N ATOM 0 H GLN A 51 1.937 -6.699 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 51 2.606 -8.734 -9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.121 -9.653 -7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.520 -8.948 -7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.193 -10.456 -9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.426 -10.753 -9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.043 -11.695 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.189 -13.069 -6.948 1.00 0.00 H new ATOM 755 N PRO A 52 1.048 -7.350 -11.306 1.00 0.00 N ATOM 756 CA PRO A 52 0.065 -6.776 -12.229 1.00 0.00 C ATOM 757 C PRO A 52 -0.984 -7.794 -12.667 1.00 0.00 C ATOM 758 O PRO A 52 -0.659 -8.813 -13.274 1.00 0.00 O ATOM 759 CB PRO A 52 0.914 -6.338 -13.425 1.00 0.00 C ATOM 760 CG PRO A 52 2.115 -7.219 -13.380 1.00 0.00 C ATOM 761 CD PRO A 52 2.377 -7.486 -11.924 1.00 0.00 C ATOM 0 HA PRO A 52 -0.500 -5.965 -11.769 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.370 -6.458 -14.362 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.191 -5.287 -13.350 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.938 -8.148 -13.922 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.972 -6.735 -13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.793 -8.481 -11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.089 -6.774 -11.507 1.00 0.00 H new ATOM 769 N GLY A 53 -2.245 -7.510 -12.352 1.00 0.00 N ATOM 770 CA GLY A 53 -3.321 -8.410 -12.721 1.00 0.00 C ATOM 771 C GLY A 53 -4.341 -8.581 -11.611 1.00 0.00 C ATOM 772 O GLY A 53 -5.455 -9.046 -11.848 1.00 0.00 O ATOM 0 H GLY A 53 -2.539 -6.673 -11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.819 -8.029 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.904 -9.383 -12.980 1.00 0.00 H new ATOM 776 N SER A 54 -3.957 -8.204 -10.395 1.00 0.00 N ATOM 777 CA SER A 54 -4.843 -8.323 -9.243 1.00 0.00 C ATOM 778 C SER A 54 -5.785 -7.126 -9.157 1.00 0.00 C ATOM 779 O SER A 54 -7.003 -7.273 -9.261 1.00 0.00 O ATOM 780 CB SER A 54 -4.026 -8.439 -7.955 1.00 0.00 C ATOM 781 OG SER A 54 -3.713 -9.791 -7.669 1.00 0.00 O ATOM 0 H SER A 54 -3.039 -7.814 -10.183 1.00 0.00 H new ATOM 0 HA SER A 54 -5.442 -9.225 -9.367 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.106 -7.862 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.587 -8.009 -7.125 1.00 0.00 H new ATOM 0 HG SER A 54 -3.189 -9.838 -6.842 1.00 0.00 H new ATOM 787 N ILE A 55 -5.211 -5.943 -8.965 1.00 0.00 N ATOM 788 CA ILE A 55 -5.999 -4.721 -8.865 1.00 0.00 C ATOM 789 C ILE A 55 -6.701 -4.411 -10.182 1.00 0.00 C ATOM 790 O ILE A 55 -6.107 -4.516 -11.254 1.00 0.00 O ATOM 791 CB ILE A 55 -5.122 -3.518 -8.467 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.415 -3.791 -7.138 1.00 0.00 C ATOM 793 CG2 ILE A 55 -5.967 -2.256 -8.375 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.335 -3.716 -5.939 1.00 0.00 C ATOM 0 H ILE A 55 -4.204 -5.805 -8.876 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.746 -4.889 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.363 -3.369 -9.235 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.959 -4.780 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.606 -3.071 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.334 -1.414 -8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.428 -2.055 -9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.745 -2.393 -7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.767 -3.920 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.772 -2.719 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.130 -4.455 -6.043 1.00 0.00 H new ATOM 806 N ASN A 56 -7.970 -4.025 -10.093 1.00 0.00 N ATOM 807 CA ASN A 56 -8.755 -3.697 -11.278 1.00 0.00 C ATOM 808 C ASN A 56 -9.400 -2.321 -11.140 1.00 0.00 C ATOM 809 O ASN A 56 -10.403 -2.162 -10.443 1.00 0.00 O ATOM 810 CB ASN A 56 -9.832 -4.758 -11.511 1.00 0.00 C ATOM 811 CG ASN A 56 -10.195 -4.901 -12.977 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.334 -4.823 -13.851 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.478 -5.110 -13.250 1.00 0.00 N ATOM 0 H ASN A 56 -8.477 -3.932 -9.213 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.082 -3.678 -12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.481 -5.718 -11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.724 -4.497 -10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.783 -5.213 -14.218 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.158 -5.168 -12.492 1.00 0.00 H new ATOM 820 N TYR A 57 -8.820 -1.332 -11.809 1.00 0.00 N ATOM 821 CA TYR A 57 -9.336 0.030 -11.760 1.00 0.00 C ATOM 822 C TYR A 57 -10.810 0.069 -12.153 1.00 0.00 C ATOM 823 O TYR A 57 -11.573 0.902 -11.666 1.00 0.00 O ATOM 824 CB TYR A 57 -8.527 0.939 -12.685 1.00 0.00 C ATOM 825 CG TYR A 57 -7.330 1.575 -12.014 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.568 0.866 -11.093 1.00 0.00 C ATOM 827 CD2 TYR A 57 -6.962 2.884 -12.298 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.473 1.442 -10.477 1.00 0.00 C ATOM 829 CE2 TYR A 57 -5.869 3.467 -11.689 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.128 2.743 -10.778 1.00 0.00 C ATOM 831 OH TYR A 57 -4.039 3.322 -10.168 1.00 0.00 O ATOM 0 H TYR A 57 -7.991 -1.448 -12.392 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.242 0.389 -10.735 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.187 0.360 -13.543 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.178 1.725 -13.069 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.836 -0.153 -10.855 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.541 3.456 -13.008 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.891 0.877 -9.764 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.595 4.485 -11.925 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.227 2.833 -10.416 1.00 0.00 H new ATOM 841 N ASP A 58 -11.203 -0.842 -13.038 1.00 0.00 N ATOM 842 CA ASP A 58 -12.585 -0.915 -13.497 1.00 0.00 C ATOM 843 C ASP A 58 -13.551 -0.900 -12.317 1.00 0.00 C ATOM 844 O ASP A 58 -14.600 -0.257 -12.369 1.00 0.00 O ATOM 845 CB ASP A 58 -12.801 -2.178 -14.332 1.00 0.00 C ATOM 846 CG ASP A 58 -13.899 -2.009 -15.364 1.00 0.00 C ATOM 847 OD1 ASP A 58 -15.073 -1.867 -14.963 1.00 0.00 O ATOM 848 OD2 ASP A 58 -13.585 -2.019 -16.572 1.00 0.00 O ATOM 0 H ASP A 58 -10.584 -1.539 -13.451 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.783 -0.040 -14.117 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.871 -2.441 -14.835 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.052 -3.008 -13.672 1.00 0.00 H new ATOM 853 N LEU A 59 -13.191 -1.613 -11.255 1.00 0.00 N ATOM 854 CA LEU A 59 -14.028 -1.682 -10.061 1.00 0.00 C ATOM 855 C LEU A 59 -13.716 -0.531 -9.111 1.00 0.00 C ATOM 856 O LEU A 59 -14.604 -0.016 -8.430 1.00 0.00 O ATOM 857 CB LEU A 59 -13.820 -3.018 -9.347 1.00 0.00 C ATOM 858 CG LEU A 59 -13.587 -4.233 -10.248 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.252 -5.460 -9.414 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.809 -4.493 -11.117 1.00 0.00 C ATOM 0 H LEU A 59 -12.326 -2.151 -11.196 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.070 -1.600 -10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.967 -2.919 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.693 -3.214 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.740 -4.021 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.090 -6.314 -10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.348 -5.271 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.078 -5.676 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.626 -5.360 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.674 -4.684 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.004 -3.621 -11.742 1.00 0.00 H new ATOM 872 N LEU A 60 -12.449 -0.130 -9.071 1.00 0.00 N ATOM 873 CA LEU A 60 -12.021 0.963 -8.205 1.00 0.00 C ATOM 874 C LEU A 60 -12.728 2.262 -8.577 1.00 0.00 C ATOM 875 O LEU A 60 -13.095 2.474 -9.733 1.00 0.00 O ATOM 876 CB LEU A 60 -10.506 1.150 -8.299 1.00 0.00 C ATOM 877 CG LEU A 60 -9.656 -0.065 -7.927 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.181 0.221 -8.166 1.00 0.00 C ATOM 879 CD2 LEU A 60 -9.895 -0.461 -6.477 1.00 0.00 C ATOM 0 H LEU A 60 -11.702 -0.545 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.287 0.707 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.259 1.443 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.221 1.979 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.952 -0.898 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.592 -0.655 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.022 0.455 -9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.871 1.069 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.281 -1.328 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.628 0.370 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.947 -0.709 -6.336 1.00 0.00 H new ATOM 891 N LYS A 61 -12.917 3.131 -7.590 1.00 0.00 N ATOM 892 CA LYS A 61 -13.577 4.412 -7.812 1.00 0.00 C ATOM 893 C LYS A 61 -12.559 5.500 -8.136 1.00 0.00 C ATOM 894 O LYS A 61 -12.579 6.081 -9.221 1.00 0.00 O ATOM 895 CB LYS A 61 -14.391 4.811 -6.578 1.00 0.00 C ATOM 896 CG LYS A 61 -15.797 4.236 -6.564 1.00 0.00 C ATOM 897 CD LYS A 61 -15.806 2.797 -6.076 1.00 0.00 C ATOM 898 CE LYS A 61 -17.148 2.129 -6.335 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.422 1.981 -7.790 1.00 0.00 N ATOM 0 H LYS A 61 -12.622 2.971 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.249 4.303 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.864 4.481 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.452 5.898 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.433 4.843 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.221 4.284 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.017 2.237 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.586 2.772 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.163 1.148 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.941 2.717 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.145 1.247 -7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.766 2.885 -8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.547 1.707 -8.282 1.00 0.00 H new ATOM 913 N THR A 62 -11.668 5.771 -7.188 1.00 0.00 N ATOM 914 CA THR A 62 -10.641 6.789 -7.373 1.00 0.00 C ATOM 915 C THR A 62 -11.238 8.079 -7.924 1.00 0.00 C ATOM 916 O THR A 62 -10.572 8.826 -8.639 1.00 0.00 O ATOM 917 CB THR A 62 -9.533 6.303 -8.325 1.00 0.00 C ATOM 918 OG1 THR A 62 -9.899 6.572 -9.682 1.00 0.00 O ATOM 919 CG2 THR A 62 -9.283 4.812 -8.148 1.00 0.00 C ATOM 0 H THR A 62 -11.637 5.300 -6.284 1.00 0.00 H new ATOM 0 HA THR A 62 -10.208 6.982 -6.392 1.00 0.00 H new ATOM 0 HB THR A 62 -8.616 6.841 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.852 6.381 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.496 4.491 -8.831 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.975 4.614 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.198 4.261 -8.365 1.00 0.00 H new ATOM 927 N GLU A 63 -12.499 8.334 -7.587 1.00 0.00 N ATOM 928 CA GLU A 63 -13.185 9.534 -8.049 1.00 0.00 C ATOM 929 C GLU A 63 -13.974 10.182 -6.915 1.00 0.00 C ATOM 930 O GLU A 63 -14.996 9.656 -6.475 1.00 0.00 O ATOM 931 CB GLU A 63 -14.125 9.197 -9.209 1.00 0.00 C ATOM 932 CG GLU A 63 -15.223 8.214 -8.837 1.00 0.00 C ATOM 933 CD GLU A 63 -15.879 7.586 -10.052 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.204 6.803 -10.752 1.00 0.00 O ATOM 935 OE2 GLU A 63 -17.068 7.877 -10.300 1.00 0.00 O ATOM 0 H GLU A 63 -13.065 7.725 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.431 10.241 -8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.581 10.117 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.541 8.782 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.805 7.428 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.980 8.728 -8.245 1.00 0.00 H new ATOM 942 N ASN A 64 -13.490 11.327 -6.444 1.00 0.00 N ATOM 943 CA ASN A 64 -14.147 12.046 -5.359 1.00 0.00 C ATOM 944 C ASN A 64 -14.655 11.079 -4.294 1.00 0.00 C ATOM 945 O ASN A 64 -15.795 11.182 -3.839 1.00 0.00 O ATOM 946 CB ASN A 64 -15.311 12.879 -5.903 1.00 0.00 C ATOM 947 CG ASN A 64 -16.169 12.103 -6.884 1.00 0.00 C ATOM 948 OD1 ASN A 64 -17.194 11.532 -6.512 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.752 12.078 -8.144 1.00 0.00 N ATOM 0 H ASN A 64 -12.645 11.777 -6.797 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.414 12.711 -4.901 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.930 13.219 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.919 13.770 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.288 11.571 -8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.896 12.566 -8.408 1.00 0.00 H new ATOM 956 N LEU A 65 -13.801 10.141 -3.900 1.00 0.00 N ATOM 957 CA LEU A 65 -14.163 9.155 -2.887 1.00 0.00 C ATOM 958 C LEU A 65 -14.624 9.837 -1.603 1.00 0.00 C ATOM 959 O LEU A 65 -14.246 10.974 -1.322 1.00 0.00 O ATOM 960 CB LEU A 65 -12.973 8.239 -2.592 1.00 0.00 C ATOM 961 CG LEU A 65 -12.643 7.200 -3.665 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.164 6.851 -3.633 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.493 5.952 -3.477 1.00 0.00 C ATOM 0 H LEU A 65 -12.854 10.042 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.988 8.557 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.092 8.861 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.166 7.716 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.872 7.627 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.948 6.111 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.574 7.749 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.908 6.443 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.245 5.223 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.296 5.522 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.548 6.216 -3.552 1.00 0.00 H new ATOM 975 N ASN A 66 -15.442 9.134 -0.826 1.00 0.00 N ATOM 976 CA ASN A 66 -15.953 9.671 0.429 1.00 0.00 C ATOM 977 C ASN A 66 -15.906 8.616 1.531 1.00 0.00 C ATOM 978 O ASN A 66 -15.518 7.472 1.294 1.00 0.00 O ATOM 979 CB ASN A 66 -17.389 10.169 0.247 1.00 0.00 C ATOM 980 CG ASN A 66 -18.385 9.032 0.125 1.00 0.00 C ATOM 981 OD1 ASN A 66 -19.125 8.738 1.065 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.409 8.388 -1.035 1.00 0.00 N ATOM 0 H ASN A 66 -15.765 8.191 -1.044 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.319 10.507 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.662 10.798 1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.444 10.793 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.059 7.615 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.777 8.666 -1.786 1.00 0.00 H new ATOM 989 N ASP A 67 -16.303 9.010 2.736 1.00 0.00 N ATOM 990 CA ASP A 67 -16.308 8.100 3.875 1.00 0.00 C ATOM 991 C ASP A 67 -16.966 6.774 3.508 1.00 0.00 C ATOM 992 O ASP A 67 -16.677 5.738 4.109 1.00 0.00 O ATOM 993 CB ASP A 67 -17.037 8.735 5.060 1.00 0.00 C ATOM 994 CG ASP A 67 -16.578 8.174 6.392 1.00 0.00 C ATOM 995 OD1 ASP A 67 -15.362 8.228 6.670 1.00 0.00 O ATOM 996 OD2 ASP A 67 -17.435 7.680 7.154 1.00 0.00 O ATOM 0 H ASP A 67 -16.626 9.954 2.949 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.273 7.906 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.874 9.813 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.110 8.574 4.952 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.853 6.813 2.520 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.553 5.614 2.072 1.00 0.00 C ATOM 1003 C ASP A 68 -17.690 4.811 1.104 1.00 0.00 C ATOM 1004 O ASP A 68 -17.249 3.706 1.423 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.876 5.990 1.403 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.928 4.909 1.553 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.681 3.774 1.095 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.998 5.197 2.129 1.00 0.00 O ATOM 0 H ASP A 68 -18.105 7.662 2.014 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.759 4.996 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.248 6.918 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.703 6.180 0.344 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.454 5.372 -0.076 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.645 4.706 -1.090 1.00 0.00 C ATOM 1015 C GLU A 69 -15.259 4.371 -0.547 1.00 0.00 C ATOM 1016 O GLU A 69 -14.815 3.224 -0.613 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.518 5.588 -2.334 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.842 5.853 -3.031 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.223 4.748 -3.998 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -17.875 3.579 -3.731 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.869 5.053 -5.023 1.00 0.00 O ATOM 0 H GLU A 69 -17.811 6.286 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.144 3.776 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -16.070 6.540 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.835 5.112 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.627 5.963 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.782 6.798 -3.570 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.581 5.379 -0.011 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.245 5.194 0.545 1.00 0.00 C ATOM 1030 C LYS A 70 -13.137 3.854 1.264 1.00 0.00 C ATOM 1031 O LYS A 70 -12.137 3.146 1.132 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.910 6.333 1.511 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.642 7.659 0.819 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.173 8.716 1.804 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.912 10.045 1.111 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.813 11.168 2.085 1.00 0.00 N ATOM 0 H LYS A 70 -14.934 6.334 0.051 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.531 5.203 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.736 6.459 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.034 6.055 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.887 7.521 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.550 8.001 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.926 8.851 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.262 8.377 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.988 9.980 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.714 10.249 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.635 12.056 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.704 11.247 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.031 10.986 2.746 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.170 3.510 2.024 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.192 2.254 2.764 1.00 0.00 C ATOM 1052 C LEU A 71 -14.035 1.065 1.823 1.00 0.00 C ATOM 1053 O LEU A 71 -13.043 0.339 1.882 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.497 2.126 3.553 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.754 0.768 4.209 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.690 0.471 5.255 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.142 0.731 4.831 1.00 0.00 C ATOM 0 H LEU A 71 -15.004 4.084 2.144 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.353 2.256 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.505 2.890 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.327 2.346 2.882 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.702 -0.002 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.889 -0.499 5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.709 0.455 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.709 1.244 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.308 -0.242 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.222 1.511 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.892 0.898 4.058 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.020 0.872 0.951 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.990 -0.228 -0.006 1.00 0.00 C ATOM 1071 C ASN A 72 -13.595 -0.394 -0.600 1.00 0.00 C ATOM 1072 O ASN A 72 -13.113 -1.512 -0.777 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.008 0.011 -1.122 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.423 0.145 -0.595 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.184 -0.823 -0.576 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.784 1.348 -0.166 1.00 0.00 N ATOM 0 H ASN A 72 -15.849 1.463 0.888 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.251 -1.144 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.739 0.916 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.965 -0.814 -1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.725 1.499 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.121 2.122 -0.200 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.951 0.727 -0.908 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.611 0.707 -1.483 1.00 0.00 C ATOM 1085 C ASN A 73 -10.598 0.163 -0.481 1.00 0.00 C ATOM 1086 O ASN A 73 -9.754 -0.665 -0.823 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.203 2.113 -1.927 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.832 2.507 -3.249 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.807 1.899 -3.691 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.274 3.529 -3.888 1.00 0.00 N ATOM 0 H ASN A 73 -13.336 1.661 -0.769 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.625 0.049 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.494 2.832 -1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.118 2.163 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.653 3.839 -4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.467 4.004 -3.484 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.687 0.635 0.758 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.780 0.195 1.811 1.00 0.00 C ATOM 1099 C ALA A 74 -9.936 -1.297 2.082 1.00 0.00 C ATOM 1100 O ALA A 74 -8.958 -1.998 2.342 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.022 0.992 3.083 1.00 0.00 C ATOM 0 H ALA A 74 -11.378 1.323 1.057 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.759 0.371 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.338 0.653 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.852 2.051 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.050 0.845 3.415 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.173 -1.779 2.019 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.459 -3.189 2.257 1.00 0.00 C ATOM 1109 C LYS A 75 -10.839 -4.060 1.169 1.00 0.00 C ATOM 1110 O LYS A 75 -10.337 -5.151 1.445 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.970 -3.422 2.312 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.630 -2.844 3.552 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.068 -2.436 3.280 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.956 -3.649 3.046 1.00 0.00 C ATOM 1115 NZ LYS A 75 -16.008 -4.029 1.607 1.00 0.00 N ATOM 0 H LYS A 75 -11.994 -1.213 1.805 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.020 -3.467 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.430 -2.981 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.166 -4.494 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.606 -3.581 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.064 -1.978 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.450 -1.861 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.104 -1.784 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.583 -4.490 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.964 -3.435 3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.893 -4.540 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.969 -3.171 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.198 -4.641 1.380 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.877 -3.573 -0.066 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.318 -4.309 -1.195 1.00 0.00 C ATOM 1131 C TYR A 76 -8.794 -4.308 -1.146 1.00 0.00 C ATOM 1132 O TYR A 76 -8.154 -5.333 -1.379 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.797 -3.700 -2.513 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.548 -4.584 -3.714 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.228 -5.787 -3.869 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.634 -4.218 -4.694 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.004 -6.598 -4.964 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.404 -5.023 -5.793 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.092 -6.212 -5.923 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.865 -7.017 -7.016 1.00 0.00 O ATOM 0 H TYR A 76 -11.289 -2.673 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.664 -5.341 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.864 -3.492 -2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.295 -2.744 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.944 -6.092 -3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.094 -3.288 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.540 -7.530 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.690 -4.723 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.945 -7.354 -6.988 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.218 -3.150 -0.839 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.769 -3.016 -0.756 1.00 0.00 C ATOM 1152 C ALA A 77 -6.175 -4.048 0.196 1.00 0.00 C ATOM 1153 O ALA A 77 -5.221 -4.746 -0.148 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.394 -1.609 -0.313 1.00 0.00 C ATOM 0 H ALA A 77 -8.733 -2.291 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.355 -3.196 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.309 -1.523 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.778 -0.886 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.827 -1.409 0.667 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.745 -4.139 1.393 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.272 -5.087 2.394 1.00 0.00 C ATOM 1162 C ILE A 78 -6.506 -6.524 1.944 1.00 0.00 C ATOM 1163 O ILE A 78 -5.607 -7.362 2.014 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.966 -4.866 3.751 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.641 -3.473 4.294 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.544 -5.939 4.743 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.292 -3.177 5.627 1.00 0.00 C ATOM 0 H ILE A 78 -7.535 -3.568 1.693 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.202 -4.915 2.510 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.044 -4.937 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.560 -3.375 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.961 -2.725 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.043 -5.769 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.822 -6.920 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.464 -5.898 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.018 -2.173 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.375 -3.242 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.953 -3.902 6.367 1.00 0.00 H new ATOM 1179 N SER A 79 -7.720 -6.803 1.478 1.00 0.00 N ATOM 1180 CA SER A 79 -8.073 -8.141 1.018 1.00 0.00 C ATOM 1181 C SER A 79 -7.089 -8.629 -0.040 1.00 0.00 C ATOM 1182 O SER A 79 -6.550 -9.730 0.059 1.00 0.00 O ATOM 1183 CB SER A 79 -9.495 -8.149 0.452 1.00 0.00 C ATOM 1184 OG SER A 79 -9.503 -7.758 -0.910 1.00 0.00 O ATOM 0 H SER A 79 -8.475 -6.120 1.409 1.00 0.00 H new ATOM 0 HA SER A 79 -8.025 -8.817 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.923 -9.147 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.124 -7.474 1.031 1.00 0.00 H new ATOM 0 HG SER A 79 -9.136 -6.853 -0.993 1.00 0.00 H new ATOM 1190 N MET A 80 -6.861 -7.799 -1.054 1.00 0.00 N ATOM 1191 CA MET A 80 -5.941 -8.146 -2.131 1.00 0.00 C ATOM 1192 C MET A 80 -4.663 -8.766 -1.576 1.00 0.00 C ATOM 1193 O MET A 80 -4.171 -9.767 -2.098 1.00 0.00 O ATOM 1194 CB MET A 80 -5.601 -6.904 -2.959 1.00 0.00 C ATOM 1195 CG MET A 80 -5.253 -7.215 -4.406 1.00 0.00 C ATOM 1196 SD MET A 80 -6.701 -7.235 -5.479 1.00 0.00 S ATOM 1197 CE MET A 80 -7.090 -8.983 -5.491 1.00 0.00 C ATOM 0 H MET A 80 -7.300 -6.883 -1.152 1.00 0.00 H new ATOM 0 HA MET A 80 -6.431 -8.879 -2.772 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.449 -6.219 -2.937 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.761 -6.387 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.544 -6.473 -4.773 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.755 -8.183 -4.456 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.725 -9.209 -6.348 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.168 -9.560 -5.561 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.614 -9.245 -4.572 1.00 0.00 H new ATOM 1207 N ALA A 81 -4.130 -8.166 -0.518 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.910 -8.661 0.108 1.00 0.00 C ATOM 1209 C ALA A 81 -2.914 -10.184 0.189 1.00 0.00 C ATOM 1210 O ALA A 81 -1.941 -10.837 -0.185 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.745 -8.058 1.495 1.00 0.00 C ATOM 0 H ALA A 81 -4.524 -7.336 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.065 -8.357 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.830 -8.437 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.688 -6.972 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.599 -8.332 2.115 1.00 0.00 H new ATOM 1217 N ARG A 82 -4.016 -10.743 0.680 1.00 0.00 N ATOM 1218 CA ARG A 82 -4.145 -12.188 0.812 1.00 0.00 C ATOM 1219 C ARG A 82 -4.234 -12.854 -0.559 1.00 0.00 C ATOM 1220 O ARG A 82 -3.795 -13.990 -0.740 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.383 -12.538 1.641 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.539 -14.027 1.904 1.00 0.00 C ATOM 1223 CD ARG A 82 -6.745 -14.313 2.785 1.00 0.00 C ATOM 1224 NE ARG A 82 -7.223 -15.684 2.630 1.00 0.00 N ATOM 1225 CZ ARG A 82 -8.433 -16.088 3.003 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -9.281 -15.229 3.551 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -8.795 -17.352 2.829 1.00 0.00 N ATOM 0 H ARG A 82 -4.832 -10.216 0.993 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.257 -12.561 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.332 -12.013 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.271 -12.174 1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.645 -14.556 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.638 -14.409 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.482 -14.137 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.548 -13.619 2.537 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.594 -16.369 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.005 -14.256 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.209 -15.541 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.144 -18.016 2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.724 -17.661 3.116 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.804 -12.138 -1.522 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.951 -12.658 -2.876 1.00 0.00 C ATOM 1243 C LYS A 83 -3.600 -13.074 -3.449 1.00 0.00 C ATOM 1244 O LYS A 83 -3.453 -14.176 -3.979 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.597 -11.605 -3.781 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.364 -12.197 -4.951 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.814 -12.467 -4.587 1.00 0.00 C ATOM 1248 CE LYS A 83 -8.457 -13.452 -5.552 1.00 0.00 C ATOM 1249 NZ LYS A 83 -9.859 -13.772 -5.167 1.00 0.00 N ATOM 0 H LYS A 83 -5.172 -11.196 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.594 -13.537 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.274 -10.993 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.821 -10.942 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.322 -11.513 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.888 -13.125 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.868 -12.862 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.373 -11.531 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.443 -13.035 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.870 -14.370 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.261 -14.446 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.870 -14.194 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.426 -12.900 -5.166 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.617 -12.188 -3.336 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.277 -12.466 -3.840 1.00 0.00 C ATOM 1265 C ILE A 84 -0.507 -13.371 -2.885 1.00 0.00 C ATOM 1266 O ILE A 84 0.446 -14.040 -3.281 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.476 -11.168 -4.056 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.429 -10.351 -2.763 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.086 -10.350 -5.183 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.602 -9.244 -2.784 1.00 0.00 C ATOM 0 H ILE A 84 -2.722 -11.272 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.399 -12.972 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 84 0.544 -11.431 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.412 -9.917 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.216 -11.019 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.509 -9.436 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.072 -10.933 -6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.115 -10.094 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.579 -8.707 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.593 -9.672 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.378 -8.554 -3.597 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.931 -13.390 -1.625 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.271 -14.219 -0.633 1.00 0.00 C ATOM 1284 C GLY A 85 0.355 -13.404 0.481 1.00 0.00 C ATOM 1285 O GLY A 85 1.566 -13.184 0.491 1.00 0.00 O ATOM 0 H GLY A 85 -1.719 -12.846 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.993 -14.915 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.500 -14.817 -1.119 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.471 -12.954 1.419 1.00 0.00 N ATOM 1290 CA ALA A 86 0.010 -12.157 2.541 1.00 0.00 C ATOM 1291 C ALA A 86 -1.096 -11.930 3.567 1.00 0.00 C ATOM 1292 O ALA A 86 -2.238 -12.345 3.364 1.00 0.00 O ATOM 1293 CB ALA A 86 0.557 -10.826 2.049 1.00 0.00 C ATOM 0 H ALA A 86 -1.476 -13.127 1.425 1.00 0.00 H new ATOM 0 HA ALA A 86 0.814 -12.709 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.912 -10.242 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.383 -11.004 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.232 -10.276 1.535 1.00 0.00 H new ATOM 1299 N ARG A 87 -0.750 -11.270 4.667 1.00 0.00 N ATOM 1300 CA ARG A 87 -1.714 -10.990 5.725 1.00 0.00 C ATOM 1301 C ARG A 87 -1.700 -9.509 6.094 1.00 0.00 C ATOM 1302 O ARG A 87 -0.793 -8.772 5.711 1.00 0.00 O ATOM 1303 CB ARG A 87 -1.409 -11.838 6.960 1.00 0.00 C ATOM 1304 CG ARG A 87 -1.845 -13.288 6.827 1.00 0.00 C ATOM 1305 CD ARG A 87 -2.208 -13.886 8.176 1.00 0.00 C ATOM 1306 NE ARG A 87 -2.464 -15.322 8.088 1.00 0.00 N ATOM 1307 CZ ARG A 87 -2.810 -16.073 9.128 1.00 0.00 C ATOM 1308 NH1 ARG A 87 -2.941 -15.527 10.329 1.00 0.00 N ATOM 1309 NH2 ARG A 87 -3.026 -17.372 8.967 1.00 0.00 N ATOM 0 H ARG A 87 0.190 -10.919 4.849 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.707 -11.245 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.337 -11.806 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.904 -11.396 7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.703 -13.351 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.043 -13.870 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.398 -13.705 8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.092 -13.384 8.569 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.372 -15.773 7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.776 -14.528 10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.207 -16.105 11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.926 -17.795 8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.292 -17.948 9.766 1.00 0.00 H new ATOM 1323 N VAL A 88 -2.713 -9.082 6.842 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.817 -7.690 7.264 1.00 0.00 C ATOM 1325 C VAL A 88 -3.561 -7.572 8.589 1.00 0.00 C ATOM 1326 O VAL A 88 -4.766 -7.817 8.662 1.00 0.00 O ATOM 1327 CB VAL A 88 -3.539 -6.835 6.205 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.411 -5.356 6.536 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -2.988 -7.128 4.818 1.00 0.00 C ATOM 0 H VAL A 88 -3.473 -9.680 7.168 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.799 -7.320 7.387 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.597 -7.095 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.927 -4.767 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.857 -5.162 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.357 -5.078 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.509 -6.515 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.923 -6.897 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.136 -8.182 4.583 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.836 -7.196 9.637 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.427 -7.048 10.961 1.00 0.00 C ATOM 1341 C TYR A 89 -3.906 -5.617 11.187 1.00 0.00 C ATOM 1342 O TYR A 89 -3.623 -5.011 12.220 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.414 -7.434 12.041 1.00 0.00 C ATOM 1344 CG TYR A 89 -1.604 -8.664 11.699 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -0.470 -8.574 10.901 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -1.974 -9.916 12.174 1.00 0.00 C ATOM 1347 CE1 TYR A 89 0.272 -9.696 10.586 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -1.237 -11.044 11.865 1.00 0.00 C ATOM 1349 CZ TYR A 89 -0.116 -10.928 11.070 1.00 0.00 C ATOM 1350 OH TYR A 89 0.623 -12.048 10.760 1.00 0.00 O ATOM 0 H TYR A 89 -1.838 -6.988 9.595 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.287 -7.715 11.023 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.736 -6.597 12.207 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.943 -7.606 12.978 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -0.164 -7.611 10.521 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.852 -10.010 12.795 1.00 0.00 H new ATOM 0 HE1 TYR A 89 1.151 -9.609 9.964 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.537 -12.010 12.244 1.00 0.00 H new ATOM 0 HH TYR A 89 0.216 -12.835 11.180 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.635 -5.084 10.211 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.156 -3.726 10.303 1.00 0.00 C ATOM 1362 C ALA A 90 -6.644 -3.685 9.967 1.00 0.00 C ATOM 1363 O ALA A 90 -7.252 -4.715 9.674 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.379 -2.799 9.381 1.00 0.00 C ATOM 0 H ALA A 90 -4.878 -5.572 9.349 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.033 -3.385 11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.779 -1.788 9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.328 -2.797 9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.473 -3.147 8.352 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.222 -2.490 10.011 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.639 -2.316 9.711 1.00 0.00 C ATOM 1372 C LEU A 91 -8.839 -1.288 8.601 1.00 0.00 C ATOM 1373 O LEU A 91 -8.205 -0.233 8.578 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.396 -1.880 10.967 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.910 -2.088 10.944 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.247 -3.570 10.985 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.567 -1.358 12.107 1.00 0.00 C ATOM 0 H LEU A 91 -6.732 -1.628 10.251 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.033 -3.273 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.988 -2.423 11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.197 -0.822 11.138 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.299 -1.674 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.329 -3.698 10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.809 -4.067 10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.844 -4.010 11.897 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.645 -1.517 12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.172 -1.742 13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.356 -0.291 12.033 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.741 -1.602 7.660 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.047 -0.717 6.531 1.00 0.00 C ATOM 1391 C PRO A 92 -10.792 0.540 6.965 1.00 0.00 C ATOM 1392 O PRO A 92 -10.763 1.558 6.275 1.00 0.00 O ATOM 1393 CB PRO A 92 -10.936 -1.582 5.634 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.557 -2.573 6.558 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.533 -2.843 7.625 1.00 0.00 C ATOM 0 HA PRO A 92 -9.144 -0.356 6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.694 -0.982 5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.353 -2.076 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.477 -2.180 6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.820 -3.489 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.001 -3.048 8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.915 -3.707 7.380 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.457 0.462 8.114 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.209 1.595 8.638 1.00 0.00 C ATOM 1405 C GLU A 93 -11.271 2.721 9.065 1.00 0.00 C ATOM 1406 O GLU A 93 -11.663 3.887 9.109 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.072 1.159 9.825 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.127 0.127 9.462 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.337 0.185 10.375 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.172 -0.044 11.592 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -16.447 0.458 9.874 1.00 0.00 O ATOM 0 H GLU A 93 -11.490 -0.373 8.698 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.857 1.966 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.427 0.749 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.563 2.035 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.446 0.285 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.687 -0.869 9.510 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.031 2.362 9.379 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.036 3.340 9.802 1.00 0.00 C ATOM 1420 C ASP A 94 -8.234 3.850 8.608 1.00 0.00 C ATOM 1421 O ASP A 94 -7.926 5.039 8.517 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.094 2.726 10.840 1.00 0.00 C ATOM 1423 CG ASP A 94 -8.758 2.554 12.193 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.627 1.666 12.317 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.407 3.307 13.126 1.00 0.00 O ATOM 0 H ASP A 94 -9.691 1.401 9.349 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.560 4.183 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.747 1.757 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.214 3.360 10.948 1.00 0.00 H new ATOM 1430 N LEU A 95 -7.898 2.944 7.697 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.131 3.302 6.509 1.00 0.00 C ATOM 1432 C LEU A 95 -7.806 4.437 5.746 1.00 0.00 C ATOM 1433 O LEU A 95 -7.143 5.238 5.088 1.00 0.00 O ATOM 1434 CB LEU A 95 -6.969 2.085 5.597 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.380 2.357 4.212 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.028 3.042 4.332 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.257 1.063 3.422 1.00 0.00 C ATOM 0 H LEU A 95 -8.144 1.956 7.758 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.146 3.641 6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.334 1.359 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.946 1.619 5.469 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.055 3.024 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.624 3.227 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.146 3.989 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.343 2.401 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.836 1.275 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.604 0.372 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.243 0.613 3.305 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.131 4.499 5.840 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.897 5.538 5.161 1.00 0.00 C ATOM 1451 C VAL A 96 -9.517 6.924 5.671 1.00 0.00 C ATOM 1452 O VAL A 96 -9.506 7.893 4.913 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.411 5.332 5.350 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.173 6.595 4.973 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.894 4.145 4.529 1.00 0.00 C ATOM 0 H VAL A 96 -9.696 3.843 6.379 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.657 5.466 4.100 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.602 5.120 6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.241 6.431 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.847 7.420 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.977 6.840 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.966 4.014 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.691 4.326 3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.372 3.244 4.850 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.204 7.009 6.959 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.822 8.276 7.571 1.00 0.00 C ATOM 1467 C GLU A 97 -7.308 8.365 7.739 1.00 0.00 C ATOM 1468 O GLU A 97 -6.813 8.910 8.727 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.508 8.441 8.928 1.00 0.00 C ATOM 1470 CG GLU A 97 -11.024 8.484 8.843 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.667 8.987 10.121 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.421 8.385 11.187 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.415 9.985 10.055 1.00 0.00 O ATOM 0 H GLU A 97 -9.207 6.215 7.600 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.144 9.080 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.212 7.617 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.153 9.359 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.319 9.128 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.400 7.485 8.620 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.577 7.826 6.768 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.120 7.845 6.808 1.00 0.00 C ATOM 1482 C VAL A 98 -4.608 7.718 8.239 1.00 0.00 C ATOM 1483 O VAL A 98 -3.814 8.537 8.699 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.557 9.136 6.186 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -3.042 9.064 6.084 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.180 9.384 4.820 1.00 0.00 C ATOM 0 H VAL A 98 -6.970 7.371 5.944 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.777 6.991 6.225 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.814 9.973 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.663 9.985 5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.616 8.937 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.759 8.218 5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.771 10.300 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.956 8.546 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.260 9.484 4.925 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.067 6.683 8.936 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.655 6.449 10.316 1.00 0.00 C ATOM 1498 C ASN A 99 -3.343 5.670 10.366 1.00 0.00 C ATOM 1499 O ASN A 99 -3.270 4.504 9.981 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.744 5.686 11.072 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.743 6.611 11.737 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.491 7.807 11.891 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.885 6.063 12.136 1.00 0.00 N ATOM 0 H ASN A 99 -5.723 5.994 8.569 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.501 7.417 10.794 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.268 5.027 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.281 5.052 11.828 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.595 6.637 12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.052 5.068 11.988 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.283 6.330 10.855 1.00 0.00 N ATOM 1511 CA PRO A 100 -0.955 5.718 10.969 1.00 0.00 C ATOM 1512 C PRO A 100 -0.903 4.640 12.046 1.00 0.00 C ATOM 1513 O PRO A 100 0.113 3.968 12.219 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.054 6.897 11.349 1.00 0.00 C ATOM 1515 CG PRO A 100 -0.964 7.871 12.013 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.297 7.723 11.334 1.00 0.00 C ATOM 0 HA PRO A 100 -0.658 5.214 10.049 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.747 6.583 12.019 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.419 7.333 10.469 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.045 7.664 13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.586 8.889 11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.122 7.902 12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.410 8.430 10.512 1.00 0.00 H new ATOM 1524 N LYS A 101 -2.007 4.480 12.769 1.00 0.00 N ATOM 1525 CA LYS A 101 -2.090 3.482 13.829 1.00 0.00 C ATOM 1526 C LYS A 101 -2.256 2.082 13.246 1.00 0.00 C ATOM 1527 O LYS A 101 -1.814 1.097 13.838 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.259 3.798 14.766 1.00 0.00 C ATOM 1529 CG LYS A 101 -3.104 5.114 15.508 1.00 0.00 C ATOM 1530 CD LYS A 101 -4.454 5.712 15.869 1.00 0.00 C ATOM 1531 CE LYS A 101 -4.298 7.009 16.647 1.00 0.00 C ATOM 1532 NZ LYS A 101 -3.778 8.111 15.789 1.00 0.00 N ATOM 0 H LYS A 101 -2.857 5.029 12.640 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.160 3.513 14.396 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.182 3.824 14.186 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.361 2.991 15.492 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.521 4.955 16.415 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.547 5.818 14.890 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.026 5.898 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.023 4.997 16.462 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.261 7.299 17.067 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.620 6.850 17.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.766 8.998 16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.813 7.882 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.393 8.223 14.958 1.00 0.00 H new ATOM 1546 N MET A 102 -2.894 2.002 12.083 1.00 0.00 N ATOM 1547 CA MET A 102 -3.115 0.722 11.420 1.00 0.00 C ATOM 1548 C MET A 102 -2.142 0.536 10.260 1.00 0.00 C ATOM 1549 O MET A 102 -1.579 -0.544 10.075 1.00 0.00 O ATOM 1550 CB MET A 102 -4.555 0.628 10.914 1.00 0.00 C ATOM 1551 CG MET A 102 -5.521 0.043 11.931 1.00 0.00 C ATOM 1552 SD MET A 102 -5.607 1.017 13.446 1.00 0.00 S ATOM 1553 CE MET A 102 -5.094 -0.197 14.659 1.00 0.00 C ATOM 0 H MET A 102 -3.267 2.808 11.581 1.00 0.00 H new ATOM 0 HA MET A 102 -2.941 -0.071 12.147 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.897 1.623 10.631 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.575 0.016 10.012 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.515 -0.021 11.488 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.214 -0.974 12.174 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.096 0.256 15.650 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.784 -1.041 14.644 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.089 -0.546 14.422 1.00 0.00 H new ATOM 1563 N VAL A 103 -1.949 1.594 9.479 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.043 1.547 8.337 1.00 0.00 C ATOM 1565 C VAL A 103 0.300 0.941 8.726 1.00 0.00 C ATOM 1566 O VAL A 103 0.895 0.184 7.959 1.00 0.00 O ATOM 1567 CB VAL A 103 -0.809 2.952 7.749 1.00 0.00 C ATOM 1568 CG1 VAL A 103 0.047 2.868 6.495 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.137 3.633 7.454 1.00 0.00 C ATOM 0 H VAL A 103 -2.408 2.495 9.616 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.516 0.919 7.582 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.275 3.552 8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.202 3.869 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.011 2.422 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.458 2.252 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.953 4.624 7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.700 3.037 6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.711 3.726 8.376 1.00 0.00 H new ATOM 1579 N MET A 104 0.771 1.276 9.922 1.00 0.00 N ATOM 1580 CA MET A 104 2.045 0.763 10.413 1.00 0.00 C ATOM 1581 C MET A 104 2.247 -0.688 9.985 1.00 0.00 C ATOM 1582 O MET A 104 3.372 -1.118 9.726 1.00 0.00 O ATOM 1583 CB MET A 104 2.108 0.870 11.938 1.00 0.00 C ATOM 1584 CG MET A 104 0.860 0.355 12.636 1.00 0.00 C ATOM 1585 SD MET A 104 0.954 -1.405 13.019 1.00 0.00 S ATOM 1586 CE MET A 104 -0.747 -1.747 13.462 1.00 0.00 C ATOM 0 H MET A 104 0.290 1.900 10.569 1.00 0.00 H new ATOM 0 HA MET A 104 2.843 1.366 9.980 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.972 0.311 12.298 1.00 0.00 H new ATOM 0 HB3 MET A 104 2.265 1.913 12.215 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.707 0.916 13.558 1.00 0.00 H new ATOM 0 HG3 MET A 104 -0.008 0.539 12.003 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.865 -2.813 13.656 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.010 -1.184 14.357 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.403 -1.453 12.642 1.00 0.00 H new ATOM 1596 N THR A 105 1.151 -1.437 9.913 1.00 0.00 N ATOM 1597 CA THR A 105 1.209 -2.839 9.518 1.00 0.00 C ATOM 1598 C THR A 105 0.889 -3.007 8.037 1.00 0.00 C ATOM 1599 O THR A 105 1.542 -3.777 7.333 1.00 0.00 O ATOM 1600 CB THR A 105 0.231 -3.696 10.344 1.00 0.00 C ATOM 1601 OG1 THR A 105 0.884 -4.194 11.516 1.00 0.00 O ATOM 1602 CG2 THR A 105 -0.297 -4.860 9.519 1.00 0.00 C ATOM 0 H THR A 105 0.213 -1.096 10.123 1.00 0.00 H new ATOM 0 HA THR A 105 2.227 -3.179 9.707 1.00 0.00 H new ATOM 0 HB THR A 105 -0.610 -3.067 10.637 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.002 -3.465 12.160 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.986 -5.451 10.123 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.820 -4.477 8.643 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.536 -5.487 9.200 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.119 -2.279 7.568 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.525 -2.346 6.169 1.00 0.00 C ATOM 1612 C VAL A 106 0.687 -2.364 5.246 1.00 0.00 C ATOM 1613 O VAL A 106 0.856 -3.282 4.443 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.428 -1.157 5.789 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.751 -1.185 4.304 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.702 -1.169 6.621 1.00 0.00 C ATOM 0 H VAL A 106 -0.670 -1.636 8.136 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.086 -3.273 6.046 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.891 -0.233 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.390 -0.338 4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.827 -1.124 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.269 -2.113 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.328 -0.322 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.245 -2.097 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.447 -1.096 7.678 1.00 0.00 H new ATOM 1626 N PHE A 107 1.531 -1.344 5.366 1.00 0.00 N ATOM 1627 CA PHE A 107 2.729 -1.243 4.540 1.00 0.00 C ATOM 1628 C PHE A 107 3.802 -2.218 5.019 1.00 0.00 C ATOM 1629 O PHE A 107 4.318 -3.020 4.240 1.00 0.00 O ATOM 1630 CB PHE A 107 3.274 0.187 4.568 1.00 0.00 C ATOM 1631 CG PHE A 107 2.527 1.130 3.669 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.219 0.769 2.367 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.132 2.377 4.126 1.00 0.00 C ATOM 1634 CE1 PHE A 107 1.533 1.635 1.538 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.446 3.247 3.301 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.144 2.875 2.005 1.00 0.00 C ATOM 0 H PHE A 107 1.408 -0.577 6.026 1.00 0.00 H new ATOM 0 HA PHE A 107 2.458 -1.501 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.233 0.563 5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.324 0.173 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.519 -0.200 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.363 2.672 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.301 1.342 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.146 4.217 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.605 3.552 1.359 1.00 0.00 H new ATOM 1646 N ALA A 108 4.134 -2.140 6.303 1.00 0.00 N ATOM 1647 CA ALA A 108 5.144 -3.014 6.886 1.00 0.00 C ATOM 1648 C ALA A 108 5.062 -4.418 6.295 1.00 0.00 C ATOM 1649 O ALA A 108 6.024 -4.909 5.703 1.00 0.00 O ATOM 1650 CB ALA A 108 4.987 -3.067 8.398 1.00 0.00 C ATOM 0 H ALA A 108 3.718 -1.480 6.960 1.00 0.00 H new ATOM 0 HA ALA A 108 6.125 -2.604 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.748 -3.723 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.103 -2.065 8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.998 -3.451 8.648 1.00 0.00 H new ATOM 1656 N CYS A 109 3.909 -5.057 6.458 1.00 0.00 N ATOM 1657 CA CYS A 109 3.702 -6.405 5.941 1.00 0.00 C ATOM 1658 C CYS A 109 4.083 -6.486 4.466 1.00 0.00 C ATOM 1659 O CYS A 109 4.635 -7.489 4.011 1.00 0.00 O ATOM 1660 CB CYS A 109 2.245 -6.828 6.128 1.00 0.00 C ATOM 1661 SG CYS A 109 1.990 -8.617 6.132 1.00 0.00 S ATOM 0 H CYS A 109 3.103 -4.663 6.944 1.00 0.00 H new ATOM 0 HA CYS A 109 4.344 -7.085 6.501 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.877 -6.417 7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.645 -6.388 5.331 1.00 0.00 H new ATOM 0 HG CYS A 109 0.773 -8.883 5.760 1.00 0.00 H new ATOM 1667 N LEU A 110 3.783 -5.426 3.725 1.00 0.00 N ATOM 1668 CA LEU A 110 4.092 -5.377 2.300 1.00 0.00 C ATOM 1669 C LEU A 110 5.575 -5.100 2.073 1.00 0.00 C ATOM 1670 O LEU A 110 6.140 -5.486 1.050 1.00 0.00 O ATOM 1671 CB LEU A 110 3.249 -4.302 1.611 1.00 0.00 C ATOM 1672 CG LEU A 110 1.733 -4.476 1.707 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.021 -3.219 1.230 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.282 -5.685 0.902 1.00 0.00 C ATOM 0 H LEU A 110 3.326 -4.589 4.087 1.00 0.00 H new ATOM 0 HA LEU A 110 3.853 -6.349 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.511 -3.334 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.525 -4.272 0.557 1.00 0.00 H new ATOM 0 HG LEU A 110 1.471 -4.643 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.057 -3.361 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.320 -2.374 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.289 -3.020 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.200 -5.793 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.556 -5.549 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.766 -6.581 1.290 1.00 0.00 H new