USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 642 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 53 HIS : no HE2:sc= 0.696 K(o=2.6,f=-5.8!) USER MOD Set 1.2: A 86 THR OG1 : rot -30:sc= 1.93 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.03 K(o=2.3,f=1.5) USER MOD Set 2.2: A 36 CYS SG : rot 151:sc= 1.26 USER MOD Set 3.1: A 32 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.9) USER MOD Set 3.2: A 68 HIS : no HD1:sc= 0 X(o=-0.015,f=-0.27) USER MOD Set 4.1: A 14 THR OG1 : rot 151:sc= 0.542 USER MOD Set 4.2: A 85 LYS NZ :NH3+ -105:sc= 0.731 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.5) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.894 K(o=-0.89,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.533 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00398 X(o=-0.004,f=0.32) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 23:sc= 0.341 USER MOD Single : A 66 THR OG1 : rot -166:sc= -1.74! USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.294) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.076) USER MOD Single : A 84 MET CE :methyl -168:sc= -1.67 (180deg=-2.11!) USER MOD Single : A 87 MET CE :methyl 156:sc= -0.257 (180deg=-0.983) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.319 -8.013 3.118 1.00 0.00 N ATOM 55 CA ASN A 11 13.131 -7.597 2.444 1.00 0.00 C ATOM 56 C ASN A 11 12.126 -7.244 3.489 1.00 0.00 C ATOM 57 O ASN A 11 11.386 -8.086 3.990 1.00 0.00 O ATOM 58 CB ASN A 11 12.607 -8.656 1.458 1.00 0.00 C ATOM 59 CG ASN A 11 11.324 -8.233 0.740 1.00 0.00 C ATOM 60 OD1 ASN A 11 10.220 -8.525 1.192 1.00 0.00 O ATOM 61 ND2 ASN A 11 11.460 -7.560 -0.370 1.00 0.00 N ATOM 0 HA ASN A 11 13.344 -6.728 1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.378 -8.865 0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.424 -9.585 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.635 -7.260 -0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.392 -7.334 -0.718 1.00 0.00 H new ATOM 68 N VAL A 12 12.197 -6.022 3.902 1.00 0.00 N ATOM 69 CA VAL A 12 11.361 -5.520 4.911 1.00 0.00 C ATOM 70 C VAL A 12 10.389 -4.587 4.306 1.00 0.00 C ATOM 71 O VAL A 12 10.743 -3.552 3.715 1.00 0.00 O ATOM 72 CB VAL A 12 12.125 -4.805 6.041 1.00 0.00 C ATOM 73 CG1 VAL A 12 11.160 -4.037 6.926 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.887 -5.782 6.901 1.00 0.00 C ATOM 0 H VAL A 12 12.857 -5.339 3.531 1.00 0.00 H new ATOM 0 HA VAL A 12 10.860 -6.373 5.368 1.00 0.00 H new ATOM 0 HB VAL A 12 12.831 -4.122 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.714 -3.537 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.631 -3.294 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.441 -4.728 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.413 -5.241 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.191 -6.490 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.608 -6.322 6.287 1.00 0.00 H new ATOM 84 N THR A 13 9.212 -4.956 4.433 1.00 0.00 N ATOM 85 CA THR A 13 8.114 -4.247 3.972 1.00 0.00 C ATOM 86 C THR A 13 7.312 -3.840 5.186 1.00 0.00 C ATOM 87 O THR A 13 6.818 -4.697 5.958 1.00 0.00 O ATOM 88 CB THR A 13 7.320 -5.166 3.054 1.00 0.00 C ATOM 89 OG1 THR A 13 8.054 -5.435 1.828 1.00 0.00 O ATOM 90 CG2 THR A 13 5.929 -4.653 2.760 1.00 0.00 C ATOM 0 H THR A 13 8.958 -5.828 4.897 1.00 0.00 H new ATOM 0 HA THR A 13 8.388 -3.355 3.409 1.00 0.00 H new ATOM 0 HB THR A 13 7.189 -6.105 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.526 -6.029 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.415 -5.353 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.372 -4.557 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.995 -3.679 2.275 1.00 0.00 H new ATOM 98 N THR A 14 7.250 -2.574 5.397 1.00 0.00 N ATOM 99 CA THR A 14 6.567 -2.025 6.496 1.00 0.00 C ATOM 100 C THR A 14 5.080 -2.009 6.202 1.00 0.00 C ATOM 101 O THR A 14 4.649 -1.796 5.053 1.00 0.00 O ATOM 102 CB THR A 14 7.067 -0.603 6.752 1.00 0.00 C ATOM 103 OG1 THR A 14 8.511 -0.613 6.817 1.00 0.00 O ATOM 104 CG2 THR A 14 6.506 -0.039 8.053 1.00 0.00 C ATOM 0 H THR A 14 7.686 -1.880 4.790 1.00 0.00 H new ATOM 0 HA THR A 14 6.752 -2.629 7.384 1.00 0.00 H new ATOM 0 HB THR A 14 6.727 0.032 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.858 0.254 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.882 0.973 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.417 -0.017 8.001 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.817 -0.669 8.887 1.00 0.00 H new ATOM 112 N VAL A 15 4.324 -2.283 7.200 1.00 0.00 N ATOM 113 CA VAL A 15 2.913 -2.288 7.106 1.00 0.00 C ATOM 114 C VAL A 15 2.350 -1.329 8.080 1.00 0.00 C ATOM 115 O VAL A 15 2.710 -1.345 9.245 1.00 0.00 O ATOM 116 CB VAL A 15 2.331 -3.676 7.387 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.823 -3.611 7.503 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.697 -4.622 6.285 1.00 0.00 C ATOM 0 H VAL A 15 4.679 -2.516 8.128 1.00 0.00 H new ATOM 0 HA VAL A 15 2.648 -2.003 6.088 1.00 0.00 H new ATOM 0 HB VAL A 15 2.747 -4.032 8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.430 -4.608 7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.549 -2.943 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.402 -3.235 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.278 -5.606 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.298 -4.252 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.782 -4.697 6.216 1.00 0.00 H new ATOM 128 N LEU A 16 1.522 -0.483 7.612 1.00 0.00 N ATOM 129 CA LEU A 16 0.824 0.377 8.472 1.00 0.00 C ATOM 130 C LEU A 16 -0.621 -0.042 8.501 1.00 0.00 C ATOM 131 O LEU A 16 -1.330 0.054 7.502 1.00 0.00 O ATOM 132 CB LEU A 16 0.917 1.814 8.063 1.00 0.00 C ATOM 133 CG LEU A 16 0.325 2.754 9.084 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.209 2.865 10.288 1.00 0.00 C ATOM 135 CD2 LEU A 16 0.051 4.075 8.507 1.00 0.00 C ATOM 0 H LEU A 16 1.309 -0.368 6.621 1.00 0.00 H new ATOM 0 HA LEU A 16 1.280 0.299 9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.963 2.074 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.404 1.950 7.111 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.629 2.333 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.759 3.548 11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.327 1.882 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.186 3.245 9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.375 4.725 9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.979 4.510 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.656 3.973 7.683 1.00 0.00 H new ATOM 147 N ILE A 17 -1.039 -0.521 9.609 1.00 0.00 N ATOM 148 CA ILE A 17 -2.377 -0.974 9.766 1.00 0.00 C ATOM 149 C ILE A 17 -3.097 0.053 10.619 1.00 0.00 C ATOM 150 O ILE A 17 -2.516 0.600 11.557 1.00 0.00 O ATOM 151 CB ILE A 17 -2.349 -2.413 10.393 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.532 -3.311 10.013 1.00 0.00 C ATOM 153 CG2 ILE A 17 -2.117 -2.419 11.877 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.856 -2.915 10.616 1.00 0.00 C ATOM 0 H ILE A 17 -0.461 -0.613 10.445 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.914 -1.062 8.822 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.474 -2.863 9.924 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.631 -3.314 8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.304 -4.333 10.315 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.110 -3.447 12.240 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.158 -1.950 12.097 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.914 -1.865 12.372 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.628 -3.611 10.287 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.783 -2.941 11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.115 -1.907 10.294 1.00 0.00 H new ATOM 166 N ARG A 18 -4.283 0.411 10.212 1.00 0.00 N ATOM 167 CA ARG A 18 -5.062 1.382 10.929 1.00 0.00 C ATOM 168 C ARG A 18 -6.174 0.694 11.668 1.00 0.00 C ATOM 169 O ARG A 18 -7.171 0.266 11.070 1.00 0.00 O ATOM 170 CB ARG A 18 -5.638 2.474 9.997 1.00 0.00 C ATOM 171 CG ARG A 18 -4.648 3.536 9.497 1.00 0.00 C ATOM 172 CD ARG A 18 -3.512 2.977 8.642 1.00 0.00 C ATOM 173 NE ARG A 18 -3.972 2.304 7.405 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.575 2.645 6.157 1.00 0.00 C ATOM 175 NH1 ARG A 18 -2.900 3.779 5.947 1.00 0.00 N ATOM 176 NH2 ARG A 18 -3.907 1.882 5.117 1.00 0.00 N ATOM 0 H ARG A 18 -4.736 0.040 9.377 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.399 1.879 11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.081 1.984 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.446 2.981 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.193 4.280 8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.221 4.052 10.357 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.838 3.790 8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.936 2.269 9.237 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.632 1.532 7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.681 4.394 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.604 4.029 5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.462 1.038 5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.606 2.142 4.177 1.00 0.00 H new ATOM 190 N ARG A 19 -5.996 0.552 12.938 1.00 0.00 N ATOM 191 CA ARG A 19 -6.997 -0.042 13.761 1.00 0.00 C ATOM 192 C ARG A 19 -7.781 1.037 14.504 1.00 0.00 C ATOM 193 O ARG A 19 -7.222 1.719 15.349 1.00 0.00 O ATOM 194 CB ARG A 19 -6.404 -1.037 14.762 1.00 0.00 C ATOM 195 CG ARG A 19 -7.425 -1.445 15.800 1.00 0.00 C ATOM 196 CD ARG A 19 -6.892 -2.381 16.841 1.00 0.00 C ATOM 197 NE ARG A 19 -6.831 -3.741 16.402 1.00 0.00 N ATOM 198 CZ ARG A 19 -6.171 -4.705 17.046 1.00 0.00 C ATOM 199 NH1 ARG A 19 -5.352 -4.406 18.004 1.00 0.00 N ATOM 200 NH2 ARG A 19 -6.271 -5.947 16.673 1.00 0.00 N ATOM 0 H ARG A 19 -5.154 0.843 13.435 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.669 -0.594 13.104 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.047 -1.920 14.232 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.540 -0.590 15.254 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.807 -0.550 16.291 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.269 -1.918 15.299 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.894 -2.056 17.135 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.521 -2.321 17.729 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.323 -3.989 15.543 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.210 -3.431 18.268 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.849 -5.146 18.494 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.860 -6.195 15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.760 -6.673 17.175 1.00 0.00 H new ATOM 214 N PRO A 20 -9.077 1.202 14.201 1.00 0.00 N ATOM 215 CA PRO A 20 -9.925 2.180 14.892 1.00 0.00 C ATOM 216 C PRO A 20 -10.003 1.915 16.402 1.00 0.00 C ATOM 217 O PRO A 20 -9.906 2.842 17.219 1.00 0.00 O ATOM 218 CB PRO A 20 -11.301 1.971 14.249 1.00 0.00 C ATOM 219 CG PRO A 20 -11.007 1.375 12.921 1.00 0.00 C ATOM 220 CD PRO A 20 -9.804 0.510 13.123 1.00 0.00 C ATOM 0 HA PRO A 20 -9.540 3.195 14.795 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.924 1.310 14.851 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.840 2.913 14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.853 0.791 12.558 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.812 2.149 12.179 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.080 -0.505 13.409 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.204 0.434 12.216 1.00 0.00 H new ATOM 228 N ASP A 21 -10.135 0.643 16.754 1.00 0.00 N ATOM 229 CA ASP A 21 -10.266 0.185 18.120 1.00 0.00 C ATOM 230 C ASP A 21 -10.233 -1.328 18.087 1.00 0.00 C ATOM 231 O ASP A 21 -10.207 -1.917 16.995 1.00 0.00 O ATOM 232 CB ASP A 21 -11.563 0.681 18.779 1.00 0.00 C ATOM 233 CG ASP A 21 -12.804 0.048 18.227 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.389 0.592 17.269 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.232 -0.998 18.776 1.00 0.00 O ATOM 0 H ASP A 21 -10.154 -0.116 16.073 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.449 0.587 18.720 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.513 0.486 19.850 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.632 1.762 18.655 1.00 0.00 H new ATOM 240 N LEU A 22 -10.278 -1.961 19.236 1.00 0.00 N ATOM 241 CA LEU A 22 -10.071 -3.404 19.340 1.00 0.00 C ATOM 242 C LEU A 22 -11.134 -4.251 18.712 1.00 0.00 C ATOM 243 O LEU A 22 -10.862 -5.382 18.313 1.00 0.00 O ATOM 244 CB LEU A 22 -9.824 -3.813 20.767 1.00 0.00 C ATOM 245 CG LEU A 22 -8.580 -3.209 21.376 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.333 -3.801 22.733 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.395 -3.425 20.450 1.00 0.00 C ATOM 0 H LEU A 22 -10.458 -1.500 20.128 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.178 -3.599 18.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.686 -3.527 21.370 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.748 -4.899 20.814 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.719 -2.135 21.500 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.434 -3.360 23.164 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.185 -3.595 23.381 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.200 -4.879 22.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.501 -2.987 20.895 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.240 -4.494 20.301 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.592 -2.949 19.489 1.00 0.00 H new ATOM 259 N ARG A 23 -12.299 -3.711 18.548 1.00 0.00 N ATOM 260 CA ARG A 23 -13.404 -4.463 17.968 1.00 0.00 C ATOM 261 C ARG A 23 -13.196 -4.696 16.466 1.00 0.00 C ATOM 262 O ARG A 23 -13.893 -5.504 15.835 1.00 0.00 O ATOM 263 CB ARG A 23 -14.748 -3.805 18.284 1.00 0.00 C ATOM 264 CG ARG A 23 -15.056 -3.791 19.778 1.00 0.00 C ATOM 265 CD ARG A 23 -16.354 -3.077 20.089 1.00 0.00 C ATOM 266 NE ARG A 23 -16.624 -3.024 21.539 1.00 0.00 N ATOM 267 CZ ARG A 23 -16.952 -1.910 22.227 1.00 0.00 C ATOM 268 NH1 ARG A 23 -16.859 -0.708 21.653 1.00 0.00 N ATOM 269 NH2 ARG A 23 -17.333 -2.004 23.496 1.00 0.00 N ATOM 0 H ARG A 23 -12.526 -2.750 18.803 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.423 -5.449 18.433 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.745 -2.782 17.908 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.541 -4.336 17.758 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.110 -4.816 20.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.239 -3.304 20.311 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.314 -2.063 19.691 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.177 -3.585 19.586 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.558 -3.897 22.062 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.538 -0.627 20.688 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.109 0.129 22.179 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.377 -2.917 23.949 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.581 -1.163 24.018 1.00 0.00 H new ATOM 283 N TYR A 24 -12.220 -4.001 15.902 1.00 0.00 N ATOM 284 CA TYR A 24 -11.911 -4.162 14.504 1.00 0.00 C ATOM 285 C TYR A 24 -10.890 -5.259 14.275 1.00 0.00 C ATOM 286 O TYR A 24 -10.832 -5.843 13.190 1.00 0.00 O ATOM 287 CB TYR A 24 -11.476 -2.846 13.875 1.00 0.00 C ATOM 288 CG TYR A 24 -12.636 -1.956 13.528 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.367 -1.312 14.508 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.017 -1.785 12.206 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.440 -0.521 14.182 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.092 -0.997 11.870 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.801 -0.365 12.861 1.00 0.00 C ATOM 294 OH TYR A 24 -15.888 0.428 12.535 1.00 0.00 O ATOM 0 H TYR A 24 -11.635 -3.325 16.394 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.828 -4.473 14.004 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.814 -2.321 14.563 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.900 -3.052 12.973 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.090 -1.433 15.545 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.459 -2.280 11.425 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.000 -0.022 14.959 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.376 -0.876 10.835 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.008 0.434 11.562 1.00 0.00 H new ATOM 304 N GLN A 25 -10.137 -5.582 15.330 1.00 0.00 N ATOM 305 CA GLN A 25 -9.075 -6.583 15.278 1.00 0.00 C ATOM 306 C GLN A 25 -8.057 -6.301 14.162 1.00 0.00 C ATOM 307 O GLN A 25 -7.780 -5.144 13.890 1.00 0.00 O ATOM 308 CB GLN A 25 -9.634 -7.997 15.259 1.00 0.00 C ATOM 309 CG GLN A 25 -10.288 -8.350 16.578 1.00 0.00 C ATOM 310 CD GLN A 25 -10.789 -9.768 16.658 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.760 -10.044 17.352 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.138 -10.681 15.979 1.00 0.00 N ATOM 0 H GLN A 25 -10.250 -5.152 16.248 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.506 -6.503 16.204 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.362 -8.091 14.453 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.832 -8.704 15.048 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.571 -8.184 17.382 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.123 -7.671 16.750 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.333 -10.417 15.411 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.436 -11.656 16.019 1.00 0.00 H new ATOM 321 N LEU A 26 -7.396 -7.327 13.658 1.00 0.00 N ATOM 322 CA LEU A 26 -6.387 -7.136 12.613 1.00 0.00 C ATOM 323 C LEU A 26 -6.984 -7.404 11.242 1.00 0.00 C ATOM 324 O LEU A 26 -6.968 -6.559 10.354 1.00 0.00 O ATOM 325 CB LEU A 26 -5.165 -8.078 12.801 1.00 0.00 C ATOM 326 CG LEU A 26 -4.341 -8.017 14.107 1.00 0.00 C ATOM 327 CD1 LEU A 26 -3.943 -6.601 14.472 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.027 -8.740 15.261 1.00 0.00 C ATOM 0 H LEU A 26 -7.532 -8.296 13.947 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.052 -6.102 12.690 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.524 -9.101 12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.479 -7.890 11.975 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.415 -8.558 13.911 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.366 -6.612 15.397 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.338 -6.175 13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.839 -5.996 14.610 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.408 -8.668 16.155 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.997 -8.281 15.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.168 -9.789 15.001 1.00 0.00 H new ATOM 340 N GLY A 27 -7.504 -8.595 11.083 1.00 0.00 N ATOM 341 CA GLY A 27 -8.002 -9.019 9.803 1.00 0.00 C ATOM 342 C GLY A 27 -7.091 -10.065 9.196 1.00 0.00 C ATOM 343 O GLY A 27 -7.299 -10.509 8.068 1.00 0.00 O ATOM 0 H GLY A 27 -7.593 -9.288 11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.007 -9.425 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.077 -8.162 9.134 1.00 0.00 H new ATOM 347 N PHE A 28 -6.068 -10.444 9.941 1.00 0.00 N ATOM 348 CA PHE A 28 -5.155 -11.478 9.520 1.00 0.00 C ATOM 349 C PHE A 28 -4.857 -12.365 10.705 1.00 0.00 C ATOM 350 O PHE A 28 -4.939 -11.918 11.865 1.00 0.00 O ATOM 351 CB PHE A 28 -3.827 -10.904 8.934 1.00 0.00 C ATOM 352 CG PHE A 28 -2.863 -10.271 9.939 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.967 -8.944 10.287 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.836 -11.016 10.504 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.081 -8.364 11.171 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.950 -10.442 11.394 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.074 -9.112 11.726 1.00 0.00 C ATOM 0 H PHE A 28 -5.852 -10.041 10.853 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.629 -12.046 8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.304 -11.709 8.418 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.079 -10.155 8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.758 -8.345 9.860 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.729 -12.059 10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.180 -7.319 11.427 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.160 -11.036 11.829 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.382 -8.659 12.420 1.00 0.00 H new ATOM 367 N SER A 29 -4.547 -13.588 10.437 1.00 0.00 N ATOM 368 CA SER A 29 -4.178 -14.516 11.457 1.00 0.00 C ATOM 369 C SER A 29 -2.680 -14.750 11.397 1.00 0.00 C ATOM 370 O SER A 29 -2.148 -15.134 10.342 1.00 0.00 O ATOM 371 CB SER A 29 -4.908 -15.817 11.238 1.00 0.00 C ATOM 372 OG SER A 29 -6.323 -15.624 11.285 1.00 0.00 O ATOM 0 H SER A 29 -4.542 -13.978 9.494 1.00 0.00 H new ATOM 0 HA SER A 29 -4.444 -14.117 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.627 -16.238 10.273 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.610 -16.538 11.999 1.00 0.00 H new ATOM 0 HG SER A 29 -6.775 -16.481 11.139 1.00 0.00 H new ATOM 378 N VAL A 30 -2.003 -14.499 12.480 1.00 0.00 N ATOM 379 CA VAL A 30 -0.591 -14.698 12.523 1.00 0.00 C ATOM 380 C VAL A 30 -0.299 -15.985 13.310 1.00 0.00 C ATOM 381 O VAL A 30 -0.958 -16.281 14.315 1.00 0.00 O ATOM 382 CB VAL A 30 0.144 -13.450 13.156 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.343 -13.545 14.659 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.441 -13.143 12.454 1.00 0.00 C ATOM 0 H VAL A 30 -2.413 -14.154 13.348 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.206 -14.803 11.509 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.536 -12.613 12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.854 -12.651 15.016 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.627 -13.629 15.150 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.945 -14.424 14.892 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.912 -12.278 12.922 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.107 -14.003 12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.244 -12.925 11.404 1.00 0.00 H new ATOM 394 N GLN A 31 0.607 -16.774 12.824 1.00 0.00 N ATOM 395 CA GLN A 31 1.028 -17.948 13.529 1.00 0.00 C ATOM 396 C GLN A 31 2.478 -17.855 13.836 1.00 0.00 C ATOM 397 O GLN A 31 3.306 -17.810 12.933 1.00 0.00 O ATOM 398 CB GLN A 31 0.715 -19.246 12.797 1.00 0.00 C ATOM 399 CG GLN A 31 -0.754 -19.594 12.762 1.00 0.00 C ATOM 400 CD GLN A 31 -0.980 -21.016 12.328 1.00 0.00 C ATOM 401 OE1 GLN A 31 -1.156 -21.311 11.144 1.00 0.00 O ATOM 402 NE2 GLN A 31 -0.939 -21.909 13.267 1.00 0.00 N ATOM 0 H GLN A 31 1.076 -16.625 11.930 1.00 0.00 H new ATOM 0 HA GLN A 31 0.452 -17.984 14.454 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.085 -19.172 11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.259 -20.061 13.275 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.187 -19.442 13.751 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.271 -18.919 12.080 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.791 -21.624 14.235 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.054 -22.896 13.037 1.00 0.00 H new ATOM 411 N ASN A 32 2.772 -17.721 15.118 1.00 0.00 N ATOM 412 CA ASN A 32 4.151 -17.644 15.647 1.00 0.00 C ATOM 413 C ASN A 32 4.899 -16.392 15.204 1.00 0.00 C ATOM 414 O ASN A 32 6.094 -16.239 15.469 1.00 0.00 O ATOM 415 CB ASN A 32 4.967 -18.908 15.336 1.00 0.00 C ATOM 416 CG ASN A 32 4.489 -20.133 16.086 1.00 0.00 C ATOM 417 OD1 ASN A 32 3.938 -20.035 17.183 1.00 0.00 O ATOM 418 ND2 ASN A 32 4.706 -21.286 15.517 1.00 0.00 N ATOM 0 H ASN A 32 2.058 -17.660 15.844 1.00 0.00 H new ATOM 0 HA ASN A 32 4.037 -17.576 16.729 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.922 -19.106 14.265 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.013 -18.726 15.582 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.416 -22.147 15.982 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.165 -21.327 14.607 1.00 0.00 H new ATOM 425 N GLY A 33 4.184 -15.479 14.587 1.00 0.00 N ATOM 426 CA GLY A 33 4.790 -14.269 14.099 1.00 0.00 C ATOM 427 C GLY A 33 4.752 -14.206 12.592 1.00 0.00 C ATOM 428 O GLY A 33 5.136 -13.210 11.996 1.00 0.00 O ATOM 0 H GLY A 33 3.182 -15.555 14.413 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.270 -13.406 14.514 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.823 -14.213 14.442 1.00 0.00 H new ATOM 432 N ILE A 34 4.262 -15.260 11.977 1.00 0.00 N ATOM 433 CA ILE A 34 4.171 -15.319 10.531 1.00 0.00 C ATOM 434 C ILE A 34 2.710 -15.318 10.116 1.00 0.00 C ATOM 435 O ILE A 34 1.925 -16.141 10.579 1.00 0.00 O ATOM 436 CB ILE A 34 4.913 -16.557 9.878 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.449 -16.542 10.115 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.659 -16.581 8.380 1.00 0.00 C ATOM 439 CD1 ILE A 34 6.911 -16.828 11.528 1.00 0.00 C ATOM 0 H ILE A 34 3.919 -16.092 12.456 1.00 0.00 H new ATOM 0 HA ILE A 34 4.686 -14.434 10.158 1.00 0.00 H new ATOM 0 HB ILE A 34 4.508 -17.446 10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.905 -17.276 9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.831 -15.565 9.821 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.172 -17.435 7.938 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.588 -16.665 8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.034 -15.661 7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.000 -16.790 11.570 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.496 -16.081 12.205 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.571 -17.819 11.828 1.00 0.00 H new ATOM 451 N ILE A 35 2.350 -14.345 9.316 1.00 0.00 N ATOM 452 CA ILE A 35 1.003 -14.185 8.801 1.00 0.00 C ATOM 453 C ILE A 35 0.597 -15.400 7.980 1.00 0.00 C ATOM 454 O ILE A 35 1.187 -15.685 6.930 1.00 0.00 O ATOM 455 CB ILE A 35 0.922 -12.917 7.961 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.332 -11.739 8.849 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.511 -12.739 7.425 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.754 -10.518 8.103 1.00 0.00 C ATOM 0 H ILE A 35 2.996 -13.624 8.995 1.00 0.00 H new ATOM 0 HA ILE A 35 0.311 -14.098 9.639 1.00 0.00 H new ATOM 0 HB ILE A 35 1.590 -12.975 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.495 -11.481 9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.151 -12.055 9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.565 -11.831 6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.778 -13.598 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.206 -12.662 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.027 -9.735 8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.613 -10.754 7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.931 -10.171 7.478 1.00 0.00 H new ATOM 470 N CYS A 36 -0.403 -16.087 8.460 1.00 0.00 N ATOM 471 CA CYS A 36 -0.825 -17.335 7.902 1.00 0.00 C ATOM 472 C CYS A 36 -2.019 -17.167 6.957 1.00 0.00 C ATOM 473 O CYS A 36 -2.145 -17.900 5.963 1.00 0.00 O ATOM 474 CB CYS A 36 -1.160 -18.289 9.045 1.00 0.00 C ATOM 475 SG CYS A 36 -1.552 -19.969 8.551 1.00 0.00 S ATOM 0 H CYS A 36 -0.955 -15.787 9.264 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.014 -17.746 7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.314 -18.318 9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.007 -17.883 9.599 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.215 -20.790 9.501 1.00 0.00 H new ATOM 481 N SER A 37 -2.887 -16.221 7.245 1.00 0.00 N ATOM 482 CA SER A 37 -4.042 -15.974 6.408 1.00 0.00 C ATOM 483 C SER A 37 -4.443 -14.510 6.495 1.00 0.00 C ATOM 484 O SER A 37 -4.180 -13.853 7.520 1.00 0.00 O ATOM 485 CB SER A 37 -5.202 -16.891 6.811 1.00 0.00 C ATOM 486 OG SER A 37 -5.510 -16.747 8.183 1.00 0.00 O ATOM 0 H SER A 37 -2.814 -15.607 8.057 1.00 0.00 H new ATOM 0 HA SER A 37 -3.785 -16.198 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.081 -16.656 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.940 -17.928 6.601 1.00 0.00 H new ATOM 0 HG SER A 37 -6.254 -17.341 8.415 1.00 0.00 H new ATOM 492 N LEU A 38 -5.042 -14.000 5.439 1.00 0.00 N ATOM 493 CA LEU A 38 -5.444 -12.618 5.371 1.00 0.00 C ATOM 494 C LEU A 38 -6.846 -12.491 4.803 1.00 0.00 C ATOM 495 O LEU A 38 -7.200 -13.178 3.831 1.00 0.00 O ATOM 496 CB LEU A 38 -4.473 -11.841 4.476 1.00 0.00 C ATOM 497 CG LEU A 38 -4.815 -10.377 4.230 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.736 -9.592 5.513 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.911 -9.788 3.187 1.00 0.00 C ATOM 0 H LEU A 38 -5.263 -14.539 4.601 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.432 -12.209 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.480 -11.891 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.415 -12.347 3.512 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.839 -10.322 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.984 -8.549 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.442 -10.003 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.726 -9.655 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.173 -8.742 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.876 -9.856 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.027 -10.338 2.253 1.00 0.00 H new ATOM 511 N MET A 39 -7.634 -11.619 5.403 1.00 0.00 N ATOM 512 CA MET A 39 -8.959 -11.326 4.917 1.00 0.00 C ATOM 513 C MET A 39 -8.918 -10.150 3.988 1.00 0.00 C ATOM 514 O MET A 39 -8.564 -9.035 4.404 1.00 0.00 O ATOM 515 CB MET A 39 -9.920 -10.996 6.054 1.00 0.00 C ATOM 516 CG MET A 39 -10.190 -12.135 6.985 1.00 0.00 C ATOM 517 SD MET A 39 -11.391 -11.711 8.257 1.00 0.00 S ATOM 518 CE MET A 39 -11.534 -13.287 9.080 1.00 0.00 C ATOM 0 H MET A 39 -7.370 -11.098 6.239 1.00 0.00 H new ATOM 0 HA MET A 39 -9.313 -12.218 4.399 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.513 -10.163 6.627 1.00 0.00 H new ATOM 0 HB3 MET A 39 -10.865 -10.659 5.628 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.555 -12.989 6.414 1.00 0.00 H new ATOM 0 HG3 MET A 39 -9.257 -12.443 7.458 1.00 0.00 H new ATOM 0 HE1 MET A 39 -12.245 -13.205 9.902 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.884 -14.037 8.371 1.00 0.00 H new ATOM 0 HE3 MET A 39 -10.560 -13.583 9.470 1.00 0.00 H new ATOM 528 N ARG A 40 -9.270 -10.378 2.750 1.00 0.00 N ATOM 529 CA ARG A 40 -9.391 -9.312 1.793 1.00 0.00 C ATOM 530 C ARG A 40 -10.603 -8.508 2.212 1.00 0.00 C ATOM 531 O ARG A 40 -11.683 -9.065 2.434 1.00 0.00 O ATOM 532 CB ARG A 40 -9.531 -9.884 0.358 1.00 0.00 C ATOM 533 CG ARG A 40 -9.489 -8.858 -0.801 1.00 0.00 C ATOM 534 CD ARG A 40 -10.778 -8.044 -0.938 1.00 0.00 C ATOM 535 NE ARG A 40 -11.924 -8.892 -1.297 1.00 0.00 N ATOM 536 CZ ARG A 40 -13.185 -8.714 -0.892 1.00 0.00 C ATOM 537 NH1 ARG A 40 -13.512 -7.702 -0.104 1.00 0.00 N ATOM 538 NH2 ARG A 40 -14.133 -9.541 -1.310 1.00 0.00 N ATOM 0 H ARG A 40 -9.480 -11.304 2.378 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.506 -8.677 1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.733 -10.610 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.473 -10.428 0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.653 -8.177 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.299 -9.385 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.985 -7.531 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.643 -7.275 -1.698 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.740 -9.687 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.797 -7.043 0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.479 -7.581 0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.899 -10.310 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.097 -9.409 -1.003 1.00 0.00 H new ATOM 552 N GLY A 41 -10.424 -7.240 2.365 1.00 0.00 N ATOM 553 CA GLY A 41 -11.470 -6.422 2.867 1.00 0.00 C ATOM 554 C GLY A 41 -11.232 -6.068 4.306 1.00 0.00 C ATOM 555 O GLY A 41 -11.772 -5.075 4.803 1.00 0.00 O ATOM 0 H GLY A 41 -9.558 -6.747 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.542 -5.512 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.423 -6.943 2.770 1.00 0.00 H new ATOM 559 N GLY A 42 -10.420 -6.861 4.988 1.00 0.00 N ATOM 560 CA GLY A 42 -10.096 -6.567 6.359 1.00 0.00 C ATOM 561 C GLY A 42 -9.046 -5.483 6.437 1.00 0.00 C ATOM 562 O GLY A 42 -8.305 -5.260 5.461 1.00 0.00 O ATOM 0 H GLY A 42 -9.982 -7.702 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.993 -6.250 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.734 -7.468 6.854 1.00 0.00 H new ATOM 566 N ILE A 43 -8.960 -4.821 7.576 1.00 0.00 N ATOM 567 CA ILE A 43 -7.994 -3.728 7.793 1.00 0.00 C ATOM 568 C ILE A 43 -6.565 -4.109 7.528 1.00 0.00 C ATOM 569 O ILE A 43 -5.771 -3.264 7.130 1.00 0.00 O ATOM 570 CB ILE A 43 -8.089 -3.054 9.168 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.798 -3.931 10.199 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.726 -1.698 9.047 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.798 -3.338 11.583 1.00 0.00 C ATOM 0 H ILE A 43 -9.551 -5.016 8.384 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.301 -3.000 7.042 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.073 -2.917 9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.828 -4.094 9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.315 -4.908 10.229 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.785 -1.235 10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.126 -1.072 8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.729 -1.803 8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.317 -4.010 12.267 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.771 -3.200 11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.307 -2.374 11.566 1.00 0.00 H new ATOM 585 N ALA A 44 -6.242 -5.354 7.753 1.00 0.00 N ATOM 586 CA ALA A 44 -4.924 -5.854 7.510 1.00 0.00 C ATOM 587 C ALA A 44 -4.562 -5.755 6.026 1.00 0.00 C ATOM 588 O ALA A 44 -3.498 -5.242 5.671 1.00 0.00 O ATOM 589 CB ALA A 44 -4.848 -7.270 7.986 1.00 0.00 C ATOM 0 H ALA A 44 -6.894 -6.051 8.113 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.202 -5.248 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.847 -7.661 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.065 -7.307 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.577 -7.875 7.446 1.00 0.00 H new ATOM 595 N GLU A 45 -5.471 -6.192 5.169 1.00 0.00 N ATOM 596 CA GLU A 45 -5.263 -6.150 3.726 1.00 0.00 C ATOM 597 C GLU A 45 -5.228 -4.708 3.262 1.00 0.00 C ATOM 598 O GLU A 45 -4.449 -4.335 2.398 1.00 0.00 O ATOM 599 CB GLU A 45 -6.358 -6.984 3.016 1.00 0.00 C ATOM 600 CG GLU A 45 -6.344 -6.970 1.485 1.00 0.00 C ATOM 601 CD GLU A 45 -7.227 -5.896 0.897 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.451 -5.972 1.084 1.00 0.00 O ATOM 603 OE2 GLU A 45 -6.716 -4.956 0.248 1.00 0.00 O ATOM 0 H GLU A 45 -6.370 -6.584 5.450 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.303 -6.596 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.268 -8.018 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.331 -6.625 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.321 -6.822 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.669 -7.943 1.115 1.00 0.00 H new ATOM 610 N ARG A 46 -6.014 -3.892 3.917 1.00 0.00 N ATOM 611 CA ARG A 46 -6.079 -2.476 3.596 1.00 0.00 C ATOM 612 C ARG A 46 -4.840 -1.745 4.126 1.00 0.00 C ATOM 613 O ARG A 46 -4.553 -0.616 3.734 1.00 0.00 O ATOM 614 CB ARG A 46 -7.330 -1.849 4.180 1.00 0.00 C ATOM 615 CG ARG A 46 -8.612 -2.540 3.781 1.00 0.00 C ATOM 616 CD ARG A 46 -9.802 -1.815 4.344 1.00 0.00 C ATOM 617 NE ARG A 46 -11.050 -2.522 4.088 1.00 0.00 N ATOM 618 CZ ARG A 46 -12.171 -1.970 3.627 1.00 0.00 C ATOM 619 NH1 ARG A 46 -12.189 -0.691 3.253 1.00 0.00 N ATOM 620 NH2 ARG A 46 -13.272 -2.714 3.525 1.00 0.00 N ATOM 0 H ARG A 46 -6.624 -4.180 4.682 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.111 -2.380 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.251 -1.853 5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.380 -0.806 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.686 -2.582 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.603 -3.569 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.673 -1.688 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.856 -0.817 3.909 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.067 -3.524 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.341 -0.128 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.051 -0.275 2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.251 -3.696 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.136 -2.301 3.173 1.00 0.00 H new ATOM 634 N GLY A 47 -4.144 -2.382 5.041 1.00 0.00 N ATOM 635 CA GLY A 47 -2.935 -1.830 5.584 1.00 0.00 C ATOM 636 C GLY A 47 -1.757 -2.201 4.727 1.00 0.00 C ATOM 637 O GLY A 47 -0.865 -1.392 4.484 1.00 0.00 O ATOM 0 H GLY A 47 -4.403 -3.291 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.019 -0.745 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.784 -2.197 6.599 1.00 0.00 H new ATOM 641 N GLY A 48 -1.781 -3.409 4.216 1.00 0.00 N ATOM 642 CA GLY A 48 -0.695 -3.887 3.387 1.00 0.00 C ATOM 643 C GLY A 48 -0.065 -5.135 3.946 1.00 0.00 C ATOM 644 O GLY A 48 1.072 -5.491 3.592 1.00 0.00 O ATOM 0 H GLY A 48 -2.537 -4.079 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.067 -4.088 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.062 -3.108 3.297 1.00 0.00 H new ATOM 648 N VAL A 49 -0.786 -5.783 4.836 1.00 0.00 N ATOM 649 CA VAL A 49 -0.363 -7.027 5.438 1.00 0.00 C ATOM 650 C VAL A 49 -0.445 -8.121 4.375 1.00 0.00 C ATOM 651 O VAL A 49 -1.344 -8.109 3.557 1.00 0.00 O ATOM 652 CB VAL A 49 -1.306 -7.384 6.619 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.063 -8.768 7.156 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.195 -6.389 7.750 1.00 0.00 C ATOM 0 H VAL A 49 -1.694 -5.455 5.165 1.00 0.00 H new ATOM 0 HA VAL A 49 0.656 -6.936 5.814 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.314 -7.346 6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.749 -8.964 7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.227 -9.499 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.036 -8.844 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.871 -6.676 8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.171 -6.376 8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.462 -5.396 7.389 1.00 0.00 H new ATOM 664 N ARG A 50 0.503 -9.026 4.369 1.00 0.00 N ATOM 665 CA ARG A 50 0.514 -10.121 3.420 1.00 0.00 C ATOM 666 C ARG A 50 0.893 -11.389 4.089 1.00 0.00 C ATOM 667 O ARG A 50 1.697 -11.405 5.009 1.00 0.00 O ATOM 668 CB ARG A 50 1.452 -9.858 2.244 1.00 0.00 C ATOM 669 CG ARG A 50 0.988 -8.782 1.285 1.00 0.00 C ATOM 670 CD ARG A 50 -0.344 -9.122 0.621 1.00 0.00 C ATOM 671 NE ARG A 50 -0.303 -10.390 -0.135 1.00 0.00 N ATOM 672 CZ ARG A 50 -1.061 -10.669 -1.212 1.00 0.00 C ATOM 673 NH1 ARG A 50 -1.778 -9.708 -1.800 1.00 0.00 N ATOM 674 NH2 ARG A 50 -1.052 -11.901 -1.727 1.00 0.00 N ATOM 0 H ARG A 50 1.289 -9.028 5.019 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.498 -10.207 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.431 -9.579 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.584 -10.787 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.891 -7.839 1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.746 -8.635 0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.119 -9.185 1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.625 -8.312 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 50 0.348 -11.108 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.753 -8.756 -1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.350 -9.926 -2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.472 -12.626 -1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.625 -12.117 -2.543 1.00 0.00 H new ATOM 688 N VAL A 51 0.308 -12.434 3.605 1.00 0.00 N ATOM 689 CA VAL A 51 0.525 -13.781 4.071 1.00 0.00 C ATOM 690 C VAL A 51 1.928 -14.230 3.690 1.00 0.00 C ATOM 691 O VAL A 51 2.465 -13.795 2.663 1.00 0.00 O ATOM 692 CB VAL A 51 -0.535 -14.697 3.437 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.270 -16.178 3.681 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.898 -14.339 3.953 1.00 0.00 C ATOM 0 H VAL A 51 -0.365 -12.380 2.841 1.00 0.00 H new ATOM 0 HA VAL A 51 0.434 -13.829 5.156 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.482 -14.535 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.053 -16.770 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.697 -16.449 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.263 -16.375 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.642 -14.993 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.921 -14.461 5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.122 -13.303 3.700 1.00 0.00 H new ATOM 704 N GLY A 52 2.530 -15.049 4.519 1.00 0.00 N ATOM 705 CA GLY A 52 3.869 -15.506 4.248 1.00 0.00 C ATOM 706 C GLY A 52 4.850 -14.465 4.654 1.00 0.00 C ATOM 707 O GLY A 52 5.914 -14.314 4.067 1.00 0.00 O ATOM 0 H GLY A 52 2.117 -15.409 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.063 -16.432 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.979 -15.728 3.187 1.00 0.00 H new ATOM 711 N HIS A 53 4.462 -13.699 5.626 1.00 0.00 N ATOM 712 CA HIS A 53 5.271 -12.640 6.124 1.00 0.00 C ATOM 713 C HIS A 53 5.506 -12.785 7.590 1.00 0.00 C ATOM 714 O HIS A 53 4.566 -12.963 8.360 1.00 0.00 O ATOM 715 CB HIS A 53 4.656 -11.267 5.840 1.00 0.00 C ATOM 716 CG HIS A 53 4.943 -10.672 4.485 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.201 -9.323 4.293 1.00 0.00 N ATOM 718 CD2 HIS A 53 4.987 -11.231 3.253 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.385 -9.091 3.015 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.262 -10.226 2.367 1.00 0.00 N ATOM 0 H HIS A 53 3.563 -13.796 6.099 1.00 0.00 H new ATOM 0 HA HIS A 53 6.224 -12.705 5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.575 -11.346 5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.009 -10.571 6.601 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.241 -8.620 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.834 -12.273 3.015 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.601 -8.130 2.572 1.00 0.00 H new ATOM 729 N ARG A 54 6.752 -12.714 7.970 1.00 0.00 N ATOM 730 CA ARG A 54 7.125 -12.737 9.358 1.00 0.00 C ATOM 731 C ARG A 54 7.123 -11.316 9.834 1.00 0.00 C ATOM 732 O ARG A 54 7.772 -10.455 9.213 1.00 0.00 O ATOM 733 CB ARG A 54 8.543 -13.303 9.575 1.00 0.00 C ATOM 734 CG ARG A 54 8.943 -13.315 11.048 1.00 0.00 C ATOM 735 CD ARG A 54 10.448 -13.381 11.278 1.00 0.00 C ATOM 736 NE ARG A 54 11.120 -14.595 10.781 1.00 0.00 N ATOM 737 CZ ARG A 54 12.080 -15.255 11.471 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.222 -15.039 12.783 1.00 0.00 N ATOM 739 NH2 ARG A 54 12.866 -16.137 10.865 1.00 0.00 N ATOM 0 H ARG A 54 7.539 -12.638 7.325 1.00 0.00 H new ATOM 0 HA ARG A 54 6.424 -13.373 9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.591 -14.318 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.260 -12.707 9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.551 -12.419 11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.473 -14.169 11.535 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.907 -12.514 10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.637 -13.296 12.348 1.00 0.00 H new ATOM 0 HE ARG A 54 10.847 -14.958 9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.608 -14.379 13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.944 -15.534 13.306 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.750 -16.324 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.586 -16.628 11.396 1.00 0.00 H new ATOM 753 N ILE A 55 6.382 -11.047 10.851 1.00 0.00 N ATOM 754 CA ILE A 55 6.389 -9.743 11.436 1.00 0.00 C ATOM 755 C ILE A 55 7.582 -9.625 12.364 1.00 0.00 C ATOM 756 O ILE A 55 7.779 -10.456 13.248 1.00 0.00 O ATOM 757 CB ILE A 55 5.110 -9.450 12.219 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.897 -9.652 11.329 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.138 -8.022 12.771 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.634 -9.242 11.990 1.00 0.00 C ATOM 0 H ILE A 55 5.757 -11.715 11.302 1.00 0.00 H new ATOM 0 HA ILE A 55 6.451 -9.016 10.627 1.00 0.00 H new ATOM 0 HB ILE A 55 5.046 -10.142 13.059 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.025 -9.080 10.410 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.830 -10.702 11.044 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.220 -7.828 13.326 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.995 -7.905 13.434 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.219 -7.314 11.946 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.798 -9.407 11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.489 -9.832 12.895 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.686 -8.185 12.251 1.00 0.00 H new ATOM 772 N ILE A 56 8.390 -8.632 12.126 1.00 0.00 N ATOM 773 CA ILE A 56 9.542 -8.409 12.930 1.00 0.00 C ATOM 774 C ILE A 56 9.384 -7.216 13.852 1.00 0.00 C ATOM 775 O ILE A 56 10.166 -7.043 14.803 1.00 0.00 O ATOM 776 CB ILE A 56 10.834 -8.302 12.111 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.813 -7.087 11.215 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.033 -9.571 11.281 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.112 -6.856 10.539 1.00 0.00 C ATOM 0 H ILE A 56 8.263 -7.959 11.370 1.00 0.00 H new ATOM 0 HA ILE A 56 9.633 -9.298 13.554 1.00 0.00 H new ATOM 0 HB ILE A 56 11.669 -8.193 12.803 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.033 -7.208 10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.554 -6.209 11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.953 -9.487 10.702 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.099 -10.433 11.945 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.189 -9.699 10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.041 -5.970 9.907 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.890 -6.707 11.287 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.361 -7.721 9.924 1.00 0.00 H new ATOM 791 N GLU A 57 8.363 -6.418 13.620 1.00 0.00 N ATOM 792 CA GLU A 57 8.164 -5.221 14.422 1.00 0.00 C ATOM 793 C GLU A 57 6.724 -4.855 14.418 1.00 0.00 C ATOM 794 O GLU A 57 6.049 -5.077 13.432 1.00 0.00 O ATOM 795 CB GLU A 57 8.996 -4.052 13.883 1.00 0.00 C ATOM 796 CG GLU A 57 8.822 -2.757 14.653 1.00 0.00 C ATOM 797 CD GLU A 57 9.487 -1.584 14.002 1.00 0.00 C ATOM 798 OE1 GLU A 57 8.866 -0.959 13.137 1.00 0.00 O ATOM 799 OE2 GLU A 57 10.615 -1.241 14.383 1.00 0.00 O ATOM 0 H GLU A 57 7.664 -6.570 12.893 1.00 0.00 H new ATOM 0 HA GLU A 57 8.490 -5.430 15.441 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.049 -4.332 13.899 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.728 -3.880 12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.758 -2.548 14.762 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.226 -2.883 15.657 1.00 0.00 H new ATOM 806 N ILE A 58 6.259 -4.331 15.524 1.00 0.00 N ATOM 807 CA ILE A 58 4.909 -3.876 15.679 1.00 0.00 C ATOM 808 C ILE A 58 4.932 -2.572 16.446 1.00 0.00 C ATOM 809 O ILE A 58 5.490 -2.509 17.530 1.00 0.00 O ATOM 810 CB ILE A 58 4.059 -4.888 16.471 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.976 -6.218 15.738 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.655 -4.325 16.704 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.479 -7.335 16.599 1.00 0.00 C ATOM 0 H ILE A 58 6.828 -4.208 16.361 1.00 0.00 H new ATOM 0 HA ILE A 58 4.469 -3.754 14.689 1.00 0.00 H new ATOM 0 HB ILE A 58 4.539 -5.059 17.435 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.316 -6.110 14.877 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.963 -6.476 15.353 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.062 -5.047 17.265 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.725 -3.396 17.270 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.177 -4.130 15.744 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.443 -8.255 16.016 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.151 -7.468 17.447 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.479 -7.097 16.963 1.00 0.00 H new ATOM 825 N ASN A 59 4.397 -1.536 15.835 1.00 0.00 N ATOM 826 CA ASN A 59 4.216 -0.200 16.433 1.00 0.00 C ATOM 827 C ASN A 59 5.561 0.403 16.905 1.00 0.00 C ATOM 828 O ASN A 59 5.616 1.239 17.802 1.00 0.00 O ATOM 829 CB ASN A 59 3.181 -0.281 17.584 1.00 0.00 C ATOM 830 CG ASN A 59 2.447 1.038 17.856 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.983 2.134 17.693 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.200 0.933 18.202 1.00 0.00 N ATOM 0 H ASN A 59 4.059 -1.587 14.874 1.00 0.00 H new ATOM 0 HA ASN A 59 3.831 0.476 15.670 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.447 -1.051 17.346 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.690 -0.597 18.495 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.638 1.772 18.346 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.782 0.011 18.330 1.00 0.00 H new ATOM 839 N GLY A 60 6.643 -0.016 16.275 1.00 0.00 N ATOM 840 CA GLY A 60 7.939 0.534 16.616 1.00 0.00 C ATOM 841 C GLY A 60 8.758 -0.354 17.538 1.00 0.00 C ATOM 842 O GLY A 60 9.923 -0.043 17.831 1.00 0.00 O ATOM 0 H GLY A 60 6.651 -0.722 15.539 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.502 0.708 15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.798 1.504 17.092 1.00 0.00 H new ATOM 846 N GLN A 61 8.182 -1.443 18.008 1.00 0.00 N ATOM 847 CA GLN A 61 8.918 -2.355 18.847 1.00 0.00 C ATOM 848 C GLN A 61 9.158 -3.636 18.106 1.00 0.00 C ATOM 849 O GLN A 61 8.232 -4.200 17.502 1.00 0.00 O ATOM 850 CB GLN A 61 8.249 -2.585 20.222 1.00 0.00 C ATOM 851 CG GLN A 61 6.881 -3.239 20.192 1.00 0.00 C ATOM 852 CD GLN A 61 6.293 -3.403 21.572 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.574 -2.531 22.069 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.609 -4.487 22.214 1.00 0.00 N ATOM 0 H GLN A 61 7.216 -1.712 17.823 1.00 0.00 H new ATOM 0 HA GLN A 61 9.881 -1.899 19.077 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.912 -3.202 20.828 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.159 -1.623 20.726 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.207 -2.638 19.582 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.958 -4.216 19.714 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.206 -5.186 21.772 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.261 -4.639 23.160 1.00 0.00 H new ATOM 863 N SER A 62 10.397 -4.063 18.079 1.00 0.00 N ATOM 864 CA SER A 62 10.751 -5.260 17.402 1.00 0.00 C ATOM 865 C SER A 62 10.237 -6.424 18.226 1.00 0.00 C ATOM 866 O SER A 62 10.673 -6.656 19.356 1.00 0.00 O ATOM 867 CB SER A 62 12.273 -5.334 17.193 1.00 0.00 C ATOM 868 OG SER A 62 12.642 -6.438 16.373 1.00 0.00 O ATOM 0 H SER A 62 11.177 -3.583 18.528 1.00 0.00 H new ATOM 0 HA SER A 62 10.301 -5.290 16.410 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.622 -4.409 16.735 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.769 -5.418 18.160 1.00 0.00 H new ATOM 0 HG SER A 62 11.878 -6.705 15.820 1.00 0.00 H new ATOM 874 N VAL A 63 9.276 -7.119 17.685 1.00 0.00 N ATOM 875 CA VAL A 63 8.628 -8.181 18.369 1.00 0.00 C ATOM 876 C VAL A 63 9.150 -9.493 17.871 1.00 0.00 C ATOM 877 O VAL A 63 8.662 -10.544 18.220 1.00 0.00 O ATOM 878 CB VAL A 63 7.118 -8.087 18.143 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.613 -6.739 18.672 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.803 -8.250 16.657 1.00 0.00 C ATOM 0 H VAL A 63 8.922 -6.954 16.743 1.00 0.00 H new ATOM 0 HA VAL A 63 8.830 -8.107 19.438 1.00 0.00 H new ATOM 0 HB VAL A 63 6.610 -8.886 18.683 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.537 -6.666 18.514 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.829 -6.662 19.738 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.114 -5.929 18.141 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.726 -8.182 16.504 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.301 -7.462 16.091 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.157 -9.222 16.314 1.00 0.00 H new ATOM 890 N VAL A 64 10.203 -9.419 17.113 1.00 0.00 N ATOM 891 CA VAL A 64 10.780 -10.582 16.516 1.00 0.00 C ATOM 892 C VAL A 64 11.485 -11.450 17.585 1.00 0.00 C ATOM 893 O VAL A 64 11.762 -12.633 17.375 1.00 0.00 O ATOM 894 CB VAL A 64 11.726 -10.175 15.373 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.088 -9.725 15.848 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.774 -11.223 14.294 1.00 0.00 C ATOM 0 H VAL A 64 10.686 -8.548 16.892 1.00 0.00 H new ATOM 0 HA VAL A 64 9.990 -11.195 16.082 1.00 0.00 H new ATOM 0 HB VAL A 64 11.298 -9.283 14.915 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.702 -9.454 14.989 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.978 -8.861 16.503 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.569 -10.536 16.395 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.452 -10.901 13.504 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.129 -12.163 14.716 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.776 -11.365 13.880 1.00 0.00 H new ATOM 906 N ALA A 65 11.734 -10.846 18.733 1.00 0.00 N ATOM 907 CA ALA A 65 12.343 -11.518 19.858 1.00 0.00 C ATOM 908 C ALA A 65 11.316 -11.657 20.989 1.00 0.00 C ATOM 909 O ALA A 65 11.641 -12.058 22.121 1.00 0.00 O ATOM 910 CB ALA A 65 13.546 -10.732 20.310 1.00 0.00 C ATOM 0 H ALA A 65 11.515 -9.865 18.908 1.00 0.00 H new ATOM 0 HA ALA A 65 12.669 -12.517 19.569 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.010 -11.234 21.159 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.264 -10.663 19.492 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.236 -9.730 20.606 1.00 0.00 H new ATOM 916 N THR A 66 10.085 -11.347 20.661 1.00 0.00 N ATOM 917 CA THR A 66 8.990 -11.407 21.540 1.00 0.00 C ATOM 918 C THR A 66 8.319 -12.776 21.351 1.00 0.00 C ATOM 919 O THR A 66 8.275 -13.284 20.221 1.00 0.00 O ATOM 920 CB THR A 66 8.040 -10.241 21.155 1.00 0.00 C ATOM 921 OG1 THR A 66 8.719 -8.997 21.353 1.00 0.00 O ATOM 922 CG2 THR A 66 6.756 -10.231 21.927 1.00 0.00 C ATOM 0 H THR A 66 9.829 -11.034 19.725 1.00 0.00 H new ATOM 0 HA THR A 66 9.273 -11.305 22.588 1.00 0.00 H new ATOM 0 HB THR A 66 7.774 -10.386 20.108 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.070 -8.263 21.328 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.144 -9.389 21.604 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.217 -11.161 21.748 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.972 -10.136 22.991 1.00 0.00 H new ATOM 930 N PRO A 67 7.878 -13.433 22.449 1.00 0.00 N ATOM 931 CA PRO A 67 7.182 -14.723 22.367 1.00 0.00 C ATOM 932 C PRO A 67 5.941 -14.605 21.488 1.00 0.00 C ATOM 933 O PRO A 67 5.276 -13.561 21.501 1.00 0.00 O ATOM 934 CB PRO A 67 6.765 -15.001 23.814 1.00 0.00 C ATOM 935 CG PRO A 67 7.687 -14.188 24.650 1.00 0.00 C ATOM 936 CD PRO A 67 8.037 -12.977 23.844 1.00 0.00 C ATOM 0 HA PRO A 67 7.803 -15.509 21.936 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.726 -14.719 23.985 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.850 -16.061 24.051 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.211 -13.905 25.589 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.582 -14.756 24.905 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.377 -12.140 24.070 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.055 -12.643 24.043 1.00 0.00 H new ATOM 944 N HIS A 68 5.638 -15.653 20.735 1.00 0.00 N ATOM 945 CA HIS A 68 4.501 -15.658 19.809 1.00 0.00 C ATOM 946 C HIS A 68 3.192 -15.238 20.449 1.00 0.00 C ATOM 947 O HIS A 68 2.437 -14.480 19.848 1.00 0.00 O ATOM 948 CB HIS A 68 4.318 -16.993 19.058 1.00 0.00 C ATOM 949 CG HIS A 68 4.032 -18.219 19.894 1.00 0.00 C ATOM 950 ND1 HIS A 68 2.779 -18.535 20.385 1.00 0.00 N ATOM 951 CD2 HIS A 68 4.838 -19.228 20.276 1.00 0.00 C ATOM 952 CE1 HIS A 68 2.839 -19.676 21.026 1.00 0.00 C ATOM 953 NE2 HIS A 68 4.070 -20.126 20.972 1.00 0.00 N ATOM 0 H HIS A 68 6.168 -16.524 20.744 1.00 0.00 H new ATOM 0 HA HIS A 68 4.769 -14.899 19.074 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.502 -16.871 18.346 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.222 -17.182 18.478 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.895 -19.314 20.072 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.011 -20.165 21.518 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.401 -21.000 21.380 1.00 0.00 H new ATOM 962 N GLU A 69 2.936 -15.696 21.666 1.00 0.00 N ATOM 963 CA GLU A 69 1.692 -15.366 22.334 1.00 0.00 C ATOM 964 C GLU A 69 1.668 -13.896 22.667 1.00 0.00 C ATOM 965 O GLU A 69 0.623 -13.250 22.593 1.00 0.00 O ATOM 966 CB GLU A 69 1.520 -16.164 23.603 1.00 0.00 C ATOM 967 CG GLU A 69 0.149 -15.987 24.232 1.00 0.00 C ATOM 968 CD GLU A 69 0.019 -16.648 25.561 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.167 -17.875 25.615 1.00 0.00 O ATOM 970 OE2 GLU A 69 0.098 -15.949 26.590 1.00 0.00 O ATOM 0 H GLU A 69 3.567 -16.290 22.203 1.00 0.00 H new ATOM 0 HA GLU A 69 0.873 -15.612 21.658 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.681 -17.220 23.387 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.284 -15.865 24.320 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.058 -14.922 24.342 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.607 -16.390 23.558 1.00 0.00 H new ATOM 977 N LYS A 70 2.828 -13.361 22.998 1.00 0.00 N ATOM 978 CA LYS A 70 2.935 -11.994 23.338 1.00 0.00 C ATOM 979 C LYS A 70 2.695 -11.152 22.113 1.00 0.00 C ATOM 980 O LYS A 70 1.953 -10.199 22.173 1.00 0.00 O ATOM 981 CB LYS A 70 4.281 -11.675 23.919 1.00 0.00 C ATOM 982 CG LYS A 70 4.142 -10.719 25.047 1.00 0.00 C ATOM 983 CD LYS A 70 5.448 -10.201 25.527 1.00 0.00 C ATOM 984 CE LYS A 70 5.269 -9.542 26.864 1.00 0.00 C ATOM 985 NZ LYS A 70 4.201 -8.526 26.857 1.00 0.00 N ATOM 0 H LYS A 70 3.707 -13.877 23.032 1.00 0.00 H new ATOM 0 HA LYS A 70 2.183 -11.772 24.095 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.761 -12.590 24.266 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.925 -11.249 23.150 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.518 -9.882 24.733 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.626 -11.210 25.872 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.167 -11.016 25.606 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.853 -9.487 24.810 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.038 -10.301 27.611 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.207 -9.075 27.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.293 -7.920 27.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.282 -7.943 25.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.274 -8.997 26.869 1.00 0.00 H new ATOM 999 N ILE A 71 3.304 -11.545 20.997 1.00 0.00 N ATOM 1000 CA ILE A 71 3.115 -10.866 19.709 1.00 0.00 C ATOM 1001 C ILE A 71 1.623 -10.764 19.393 1.00 0.00 C ATOM 1002 O ILE A 71 1.112 -9.689 19.050 1.00 0.00 O ATOM 1003 CB ILE A 71 3.835 -11.629 18.551 1.00 0.00 C ATOM 1004 CG1 ILE A 71 5.336 -11.728 18.835 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.598 -10.933 17.209 1.00 0.00 C ATOM 1006 CD1 ILE A 71 6.128 -12.466 17.776 1.00 0.00 C ATOM 0 H ILE A 71 3.941 -12.340 20.955 1.00 0.00 H new ATOM 0 HA ILE A 71 3.551 -9.870 19.789 1.00 0.00 H new ATOM 0 HB ILE A 71 3.417 -12.634 18.494 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.741 -10.721 18.938 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.480 -12.228 19.793 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.109 -11.483 16.419 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.529 -10.904 16.998 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.987 -9.916 17.253 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.181 -12.488 18.058 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.754 -13.486 17.687 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.020 -11.956 16.819 1.00 0.00 H new ATOM 1018 N VAL A 72 0.917 -11.867 19.601 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.514 -11.916 19.356 1.00 0.00 C ATOM 1020 C VAL A 72 -1.264 -11.050 20.380 1.00 0.00 C ATOM 1021 O VAL A 72 -2.251 -10.407 20.053 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.050 -13.383 19.400 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.558 -13.442 19.195 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.359 -14.230 18.352 1.00 0.00 C ATOM 0 H VAL A 72 1.316 -12.742 19.940 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.692 -11.520 18.356 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.829 -13.778 20.391 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.890 -14.480 19.233 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.055 -12.873 19.981 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.810 -13.015 18.224 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.744 -15.249 18.396 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.549 -13.813 17.363 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.714 -14.239 18.541 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.730 -10.971 21.588 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.374 -10.258 22.691 1.00 0.00 C ATOM 1036 C HIS A 73 -1.257 -8.760 22.429 1.00 0.00 C ATOM 1037 O HIS A 73 -2.193 -7.991 22.672 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.679 -10.628 24.019 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.465 -10.343 25.271 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -1.538 -11.237 26.306 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -2.184 -9.265 25.665 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.266 -10.735 27.274 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.668 -9.537 26.910 1.00 0.00 N ATOM 0 H HIS A 73 0.162 -11.398 21.837 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.426 -10.535 22.762 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.438 -11.691 23.998 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.266 -10.088 24.075 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.344 -8.359 25.099 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.496 -11.222 28.210 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.249 -8.912 27.469 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.111 -8.378 21.917 1.00 0.00 N ATOM 1053 CA ILE A 74 0.197 -7.033 21.543 1.00 0.00 C ATOM 1054 C ILE A 74 -0.653 -6.626 20.341 1.00 0.00 C ATOM 1055 O ILE A 74 -1.350 -5.613 20.384 1.00 0.00 O ATOM 1056 CB ILE A 74 1.702 -6.930 21.247 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.458 -7.165 22.554 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.056 -5.572 20.656 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.853 -7.668 22.368 1.00 0.00 C ATOM 0 H ILE A 74 0.657 -9.027 21.746 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.037 -6.345 22.356 1.00 0.00 H new ATOM 0 HB ILE A 74 1.984 -7.681 20.509 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.491 -6.231 23.115 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.902 -7.881 23.159 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.127 -5.530 20.457 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.508 -5.426 19.725 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.787 -4.787 21.362 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.322 -7.809 23.342 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.829 -8.619 21.835 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.427 -6.943 21.791 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.651 -7.458 19.297 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.497 -7.219 18.114 1.00 0.00 C ATOM 1073 C LEU A 75 -2.962 -7.187 18.481 1.00 0.00 C ATOM 1074 O LEU A 75 -3.736 -6.504 17.871 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.274 -8.270 17.030 1.00 0.00 C ATOM 1076 CG LEU A 75 0.031 -8.168 16.266 1.00 0.00 C ATOM 1077 CD1 LEU A 75 0.156 -9.320 15.280 1.00 0.00 C ATOM 1078 CD2 LEU A 75 0.108 -6.820 15.539 1.00 0.00 C ATOM 0 H LEU A 75 -0.078 -8.300 19.242 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.204 -6.246 17.721 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.326 -9.256 17.491 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.096 -8.208 16.317 1.00 0.00 H new ATOM 0 HG LEU A 75 0.861 -8.230 16.970 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.098 -9.234 14.738 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.133 -10.266 15.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.673 -9.286 14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.049 -6.755 14.992 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.724 -6.735 14.840 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.054 -6.010 16.267 1.00 0.00 H new ATOM 1090 N SER A 76 -3.323 -7.925 19.478 1.00 0.00 N ATOM 1091 CA SER A 76 -4.673 -7.962 19.955 1.00 0.00 C ATOM 1092 C SER A 76 -5.081 -6.657 20.657 1.00 0.00 C ATOM 1093 O SER A 76 -6.254 -6.332 20.678 1.00 0.00 O ATOM 1094 CB SER A 76 -4.891 -9.173 20.880 1.00 0.00 C ATOM 1095 OG SER A 76 -6.241 -9.285 21.315 1.00 0.00 O ATOM 0 H SER A 76 -2.683 -8.529 19.994 1.00 0.00 H new ATOM 0 HA SER A 76 -5.318 -8.068 19.083 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.604 -10.084 20.355 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.238 -9.086 21.748 1.00 0.00 H new ATOM 0 HG SER A 76 -6.333 -10.067 21.898 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.121 -5.912 21.221 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.482 -4.746 22.051 1.00 0.00 C ATOM 1103 C ASN A 77 -3.873 -3.414 21.604 1.00 0.00 C ATOM 1104 O ASN A 77 -3.991 -2.420 22.318 1.00 0.00 O ATOM 1105 CB ASN A 77 -4.159 -5.003 23.531 1.00 0.00 C ATOM 1106 CG ASN A 77 -5.026 -6.088 24.141 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -6.097 -5.815 24.673 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.574 -7.311 24.068 1.00 0.00 N ATOM 0 H ASN A 77 -3.120 -6.084 21.126 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.558 -4.636 21.913 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.111 -5.286 23.626 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.292 -4.079 24.093 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.117 -8.080 24.462 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.678 -7.498 23.617 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.239 -3.375 20.456 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.675 -2.114 19.939 1.00 0.00 C ATOM 1117 C ALA A 78 -3.624 -1.509 18.909 1.00 0.00 C ATOM 1118 O ALA A 78 -3.973 -2.172 17.967 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.292 -2.361 19.308 1.00 0.00 C ATOM 0 H ALA A 78 -3.092 -4.185 19.854 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.555 -1.416 20.767 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.890 -1.420 18.932 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.617 -2.769 20.060 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.389 -3.069 18.485 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.092 -0.287 19.106 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.962 0.340 18.098 1.00 0.00 C ATOM 1127 C VAL A 79 -4.252 1.574 17.499 1.00 0.00 C ATOM 1128 O VAL A 79 -3.207 1.997 18.013 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.408 0.730 18.654 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.883 -0.170 19.751 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.588 2.186 19.018 1.00 0.00 C ATOM 0 H VAL A 79 -3.897 0.285 19.927 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.138 -0.404 17.321 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.054 0.568 17.791 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.871 0.151 20.083 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.939 -1.194 19.383 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.186 -0.123 20.588 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.602 2.347 19.384 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.874 2.458 19.795 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.418 2.805 18.137 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.804 2.130 16.443 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.239 3.292 15.822 1.00 0.00 C ATOM 1143 C GLY A 80 -3.457 2.933 14.597 1.00 0.00 C ATOM 1144 O GLY A 80 -3.680 1.872 14.002 1.00 0.00 O ATOM 0 H GLY A 80 -5.654 1.785 15.997 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.035 3.987 15.556 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.591 3.806 16.531 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.575 3.818 14.205 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.668 3.598 13.099 1.00 0.00 C ATOM 1150 C GLU A 81 -0.513 2.760 13.599 1.00 0.00 C ATOM 1151 O GLU A 81 0.292 3.227 14.427 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.165 4.944 12.578 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.219 5.761 11.869 1.00 0.00 C ATOM 1154 CD GLU A 81 -1.751 7.153 11.564 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -0.895 7.337 10.677 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -2.235 8.102 12.214 1.00 0.00 O ATOM 0 H GLU A 81 -2.463 4.728 14.651 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.172 3.080 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.773 5.523 13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.334 4.770 11.894 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.498 5.263 10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.115 5.809 12.487 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.413 1.534 13.138 1.00 0.00 N ATOM 1164 CA ILE A 82 0.570 0.639 13.671 1.00 0.00 C ATOM 1165 C ILE A 82 1.557 0.300 12.582 1.00 0.00 C ATOM 1166 O ILE A 82 1.176 -0.257 11.553 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.135 -0.644 14.174 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.213 -0.293 15.211 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.861 -1.651 14.748 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.172 -1.425 15.504 1.00 0.00 C ATOM 0 H ILE A 82 -0.999 1.142 12.400 1.00 0.00 H new ATOM 0 HA ILE A 82 1.098 1.103 14.504 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.615 -1.115 13.316 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.727 0.008 16.139 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.780 0.567 14.855 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.326 -2.537 15.090 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.577 -1.934 13.977 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.391 -1.201 15.587 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.903 -1.100 16.245 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.687 -1.712 14.587 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.618 -2.280 15.891 1.00 0.00 H new ATOM 1182 N HIS A 83 2.807 0.672 12.792 1.00 0.00 N ATOM 1183 CA HIS A 83 3.865 0.389 11.828 1.00 0.00 C ATOM 1184 C HIS A 83 4.464 -0.943 12.176 1.00 0.00 C ATOM 1185 O HIS A 83 5.063 -1.093 13.232 1.00 0.00 O ATOM 1186 CB HIS A 83 5.006 1.448 11.852 1.00 0.00 C ATOM 1187 CG HIS A 83 4.630 2.873 11.521 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.940 3.497 10.320 1.00 0.00 N ATOM 1189 CD2 HIS A 83 4.016 3.815 12.269 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.530 4.743 10.362 1.00 0.00 C ATOM 1191 NE2 HIS A 83 3.969 4.960 11.525 1.00 0.00 N ATOM 0 H HIS A 83 3.119 1.173 13.624 1.00 0.00 H new ATOM 0 HA HIS A 83 3.419 0.403 10.833 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.455 1.439 12.845 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.777 1.130 11.150 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.633 3.687 13.271 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.637 5.469 9.569 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.561 5.844 11.828 1.00 0.00 H new ATOM 1200 N MET A 84 4.256 -1.898 11.352 1.00 0.00 N ATOM 1201 CA MET A 84 4.837 -3.193 11.544 1.00 0.00 C ATOM 1202 C MET A 84 5.860 -3.395 10.476 1.00 0.00 C ATOM 1203 O MET A 84 5.796 -2.748 9.443 1.00 0.00 O ATOM 1204 CB MET A 84 3.818 -4.298 11.382 1.00 0.00 C ATOM 1205 CG MET A 84 2.593 -4.219 12.253 1.00 0.00 C ATOM 1206 SD MET A 84 1.550 -5.663 12.041 1.00 0.00 S ATOM 1207 CE MET A 84 1.593 -5.831 10.261 1.00 0.00 C ATOM 0 H MET A 84 3.676 -1.815 10.517 1.00 0.00 H new ATOM 0 HA MET A 84 5.252 -3.233 12.551 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.495 -4.314 10.341 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.313 -5.249 11.576 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.892 -4.133 13.298 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.027 -3.320 12.009 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.832 -6.544 9.944 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.398 -4.863 9.799 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.576 -6.189 9.953 1.00 0.00 H new ATOM 1217 N LYS A 85 6.760 -4.295 10.670 1.00 0.00 N ATOM 1218 CA LYS A 85 7.724 -4.588 9.651 1.00 0.00 C ATOM 1219 C LYS A 85 7.573 -6.019 9.351 1.00 0.00 C ATOM 1220 O LYS A 85 7.602 -6.847 10.258 1.00 0.00 O ATOM 1221 CB LYS A 85 9.147 -4.332 10.107 1.00 0.00 C ATOM 1222 CG LYS A 85 9.454 -2.950 10.552 1.00 0.00 C ATOM 1223 CD LYS A 85 9.580 -1.984 9.418 1.00 0.00 C ATOM 1224 CE LYS A 85 10.220 -0.737 9.930 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.309 0.345 8.922 1.00 0.00 N ATOM 0 H LYS A 85 6.854 -4.845 11.524 1.00 0.00 H new ATOM 0 HA LYS A 85 7.550 -3.946 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.372 -5.014 10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.820 -4.586 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.669 -2.609 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.383 -2.956 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.179 -2.416 8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.599 -1.762 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.655 -0.375 10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.223 -0.974 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.289 0.425 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.684 0.125 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.016 1.245 9.352 1.00 0.00 H new ATOM 1239 N THR A 86 7.364 -6.321 8.141 1.00 0.00 N ATOM 1240 CA THR A 86 7.164 -7.671 7.769 1.00 0.00 C ATOM 1241 C THR A 86 8.168 -8.083 6.707 1.00 0.00 C ATOM 1242 O THR A 86 8.520 -7.287 5.837 1.00 0.00 O ATOM 1243 CB THR A 86 5.711 -7.912 7.282 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.442 -7.173 6.074 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.704 -7.501 8.346 1.00 0.00 C ATOM 0 H THR A 86 7.325 -5.650 7.374 1.00 0.00 H new ATOM 0 HA THR A 86 7.322 -8.291 8.651 1.00 0.00 H new ATOM 0 HB THR A 86 5.611 -8.979 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.977 -6.352 6.067 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.693 -7.680 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.871 -8.086 9.250 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.825 -6.442 8.572 1.00 0.00 H new ATOM 1253 N MET A 87 8.647 -9.292 6.805 1.00 0.00 N ATOM 1254 CA MET A 87 9.602 -9.834 5.853 1.00 0.00 C ATOM 1255 C MET A 87 8.926 -11.003 5.165 1.00 0.00 C ATOM 1256 O MET A 87 7.882 -11.414 5.630 1.00 0.00 O ATOM 1257 CB MET A 87 10.855 -10.333 6.585 1.00 0.00 C ATOM 1258 CG MET A 87 11.562 -9.304 7.437 1.00 0.00 C ATOM 1259 SD MET A 87 13.114 -9.931 8.118 1.00 0.00 S ATOM 1260 CE MET A 87 14.055 -10.167 6.607 1.00 0.00 C ATOM 0 H MET A 87 8.390 -9.941 7.549 1.00 0.00 H new ATOM 0 HA MET A 87 9.905 -9.070 5.137 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.574 -11.174 7.219 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.560 -10.713 5.845 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.763 -8.415 6.839 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.907 -8.998 8.253 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.121 -10.133 6.833 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.807 -11.135 6.172 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.809 -9.377 5.898 1.00 0.00 H new ATOM 1270 N PRO A 88 9.502 -11.615 4.092 1.00 0.00 N ATOM 1271 CA PRO A 88 8.884 -12.780 3.399 1.00 0.00 C ATOM 1272 C PRO A 88 9.033 -14.087 4.200 1.00 0.00 C ATOM 1273 O PRO A 88 9.066 -15.191 3.628 1.00 0.00 O ATOM 1274 CB PRO A 88 9.673 -12.884 2.080 1.00 0.00 C ATOM 1275 CG PRO A 88 10.542 -11.672 2.021 1.00 0.00 C ATOM 1276 CD PRO A 88 10.760 -11.232 3.434 1.00 0.00 C ATOM 0 HA PRO A 88 7.812 -12.639 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.272 -13.794 2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.999 -12.922 1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.491 -11.899 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.067 -10.883 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.620 -11.729 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.941 -10.159 3.500 1.00 0.00 H new ATOM 1284 N ALA A 89 9.081 -13.928 5.515 1.00 0.00 N ATOM 1285 CA ALA A 89 9.234 -14.991 6.476 1.00 0.00 C ATOM 1286 C ALA A 89 10.514 -15.754 6.257 1.00 0.00 C ATOM 1287 O ALA A 89 10.536 -16.972 6.030 1.00 0.00 O ATOM 1288 CB ALA A 89 8.008 -15.873 6.562 1.00 0.00 C ATOM 0 H ALA A 89 9.010 -13.009 5.953 1.00 0.00 H new ATOM 0 HA ALA A 89 9.321 -14.532 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.175 -16.658 7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.148 -15.273 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.816 -16.325 5.589 1.00 0.00 H new ATOM 1294 N ALA A 90 11.564 -15.005 6.258 1.00 0.00 N ATOM 1295 CA ALA A 90 12.873 -15.525 6.182 1.00 0.00 C ATOM 1296 C ALA A 90 13.358 -15.629 7.604 1.00 0.00 C ATOM 1297 O ALA A 90 13.873 -14.638 8.134 1.00 0.00 O ATOM 1298 CB ALA A 90 13.765 -14.604 5.353 1.00 0.00 C ATOM 1299 OXT ALA A 90 13.100 -16.666 8.239 1.00 0.00 O ATOM 0 H ALA A 90 11.527 -13.987 6.313 1.00 0.00 H new ATOM 0 HA ALA A 90 12.896 -16.498 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.771 -15.020 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.360 -14.516 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.802 -13.618 5.817 1.00 0.00 H new