USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 46 CYS SG : rot -99:sc= 2.13! USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 52 CYS SG : rot -123:sc= 0.534 USER MOD Set 1.4: A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -4.72! C(o=-4.7!,f=-12!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.624! C(o=-0.62!,f=-3.9!) USER MOD Single : A 37 ASN : amide:sc= -0.0691 X(o=-0.069,f=-0.41) USER MOD Single : A 53 SER OG : rot -63:sc= 0.853 USER MOD Single : A 55 CYS SG : rot 79:sc= -13! USER MOD Single : A 61 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.99) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0653 USER MOD Single : A 75 ASN : amide:sc= -0.53 K(o=-0.53,f=-2!) USER MOD Single : A 77 MET CE :methyl 142:sc= -1.96! (180deg=-5.59!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 136:sc= -3.79 USER MOD Single : A 88 SER OG : rot 150:sc= -0.613 USER MOD Single : A 92 CYS SG : rot -172:sc= -4.35! USER MOD Single : A 93 GLN : amide:sc= -0.725 K(o=-0.73,f=-3.6!) USER MOD Single : A 95 CYS SG : rot 27:sc= 0.0962 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 100 MET CE :methyl 149:sc= -1.78 (180deg=-3.56!) USER MOD Single : A 102 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.8!) USER MOD Single : A 103 MET CE :methyl 169:sc= -2.63 (180deg=-2.78) USER MOD Single : A 104 THR OG1 : rot -110:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 5 10.071 14.438 -5.271 1.00 0.00 N ATOM 51 CA ASP A 5 8.628 14.274 -5.226 1.00 0.00 C ATOM 52 C ASP A 5 8.223 13.731 -3.855 1.00 0.00 C ATOM 53 O ASP A 5 9.059 13.205 -3.121 1.00 0.00 O ATOM 54 CB ASP A 5 8.154 13.279 -6.287 1.00 0.00 C ATOM 55 CG ASP A 5 7.447 13.905 -7.491 1.00 0.00 C ATOM 56 OD1 ASP A 5 6.323 14.416 -7.376 1.00 0.00 O ATOM 57 OD2 ASP A 5 8.106 13.853 -8.599 1.00 0.00 O ATOM 0 HA ASP A 5 8.172 15.246 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.015 12.714 -6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.477 12.566 -5.818 1.00 0.00 H new ATOM 63 N LYS A 6 6.942 13.876 -3.551 1.00 0.00 N ATOM 64 CA LYS A 6 6.416 13.406 -2.280 1.00 0.00 C ATOM 65 C LYS A 6 4.906 13.649 -2.236 1.00 0.00 C ATOM 66 O LYS A 6 4.456 14.793 -2.296 1.00 0.00 O ATOM 67 CB LYS A 6 7.177 14.045 -1.116 1.00 0.00 C ATOM 68 CG LYS A 6 6.499 15.341 -0.665 1.00 0.00 C ATOM 69 CD LYS A 6 7.259 15.981 0.498 1.00 0.00 C ATOM 70 CE LYS A 6 7.367 17.496 0.315 1.00 0.00 C ATOM 0 H LYS A 6 6.252 14.312 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 6 6.569 12.332 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.226 13.346 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.203 14.253 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.450 16.040 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.473 15.133 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.749 15.760 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.257 15.547 0.568 1.00 0.00 H new ATOM 84 N ILE A 7 4.166 12.555 -2.133 1.00 0.00 N ATOM 85 CA ILE A 7 2.716 12.637 -2.081 1.00 0.00 C ATOM 86 C ILE A 7 2.238 12.248 -0.680 1.00 0.00 C ATOM 87 O ILE A 7 3.050 11.995 0.209 1.00 0.00 O ATOM 88 CB ILE A 7 2.092 11.797 -3.198 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.976 10.329 -2.781 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.868 11.962 -4.506 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.098 9.549 -3.761 1.00 0.00 C ATOM 0 H ILE A 7 4.542 11.608 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 7 2.385 13.660 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 7 1.080 12.162 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.968 9.880 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.554 10.264 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.404 11.355 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.855 13.009 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.899 11.639 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.032 8.509 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.100 9.986 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.536 9.595 -4.758 1.00 0.00 H new ATOM 103 N THR A 8 0.922 12.214 -0.526 1.00 0.00 N ATOM 104 CA THR A 8 0.327 11.861 0.752 1.00 0.00 C ATOM 105 C THR A 8 -0.330 10.481 0.671 1.00 0.00 C ATOM 106 O THR A 8 -1.106 10.213 -0.245 1.00 0.00 O ATOM 107 CB THR A 8 -0.646 12.975 1.144 1.00 0.00 C ATOM 108 OG1 THR A 8 0.065 14.175 0.851 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.882 13.041 2.653 1.00 0.00 C ATOM 0 H THR A 8 0.251 12.425 -1.265 1.00 0.00 H new ATOM 0 HA THR A 8 1.084 11.781 1.532 1.00 0.00 H new ATOM 0 HB THR A 8 -1.597 12.823 0.634 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.494 14.949 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.580 13.848 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.299 12.095 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.064 13.227 3.161 1.00 0.00 H new ATOM 117 N VAL A 9 0.005 9.644 1.640 1.00 0.00 N ATOM 118 CA VAL A 9 -0.542 8.299 1.691 1.00 0.00 C ATOM 119 C VAL A 9 -1.088 8.027 3.095 1.00 0.00 C ATOM 120 O VAL A 9 -0.345 8.080 4.073 1.00 0.00 O ATOM 121 CB VAL A 9 0.518 7.285 1.255 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.037 5.860 1.297 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.060 7.623 -0.135 1.00 0.00 C ATOM 0 H VAL A 9 0.649 9.871 2.397 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.374 8.199 0.994 1.00 0.00 H new ATOM 0 HB VAL A 9 1.347 7.342 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.736 5.159 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.351 5.622 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.892 5.783 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.812 6.887 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.244 7.608 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.511 8.615 -0.118 1.00 0.00 H new ATOM 133 N HIS A 10 -2.381 7.743 3.147 1.00 0.00 N ATOM 134 CA HIS A 10 -3.035 7.464 4.414 1.00 0.00 C ATOM 135 C HIS A 10 -3.093 5.952 4.638 1.00 0.00 C ATOM 136 O HIS A 10 -3.246 5.185 3.688 1.00 0.00 O ATOM 137 CB HIS A 10 -4.413 8.125 4.473 1.00 0.00 C ATOM 138 CG HIS A 10 -4.370 9.635 4.465 1.00 0.00 C ATOM 139 ND1 HIS A 10 -3.558 10.366 5.312 1.00 0.00 N ATOM 140 CD2 HIS A 10 -5.047 10.541 3.702 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.746 11.655 5.064 1.00 0.00 C ATOM 0 H HIS A 10 -2.993 7.700 2.332 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.455 7.896 5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.005 7.784 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.927 7.791 5.374 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -2.922 9.979 6.009 1.00 0.00 H new ATOM 150 N PHE A 11 -2.969 5.567 5.900 1.00 0.00 N ATOM 151 CA PHE A 11 -3.006 4.161 6.261 1.00 0.00 C ATOM 152 C PHE A 11 -3.998 3.912 7.399 1.00 0.00 C ATOM 153 O PHE A 11 -3.875 4.496 8.474 1.00 0.00 O ATOM 154 CB PHE A 11 -1.600 3.783 6.735 1.00 0.00 C ATOM 155 CG PHE A 11 -0.554 3.758 5.620 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.218 4.908 4.976 1.00 0.00 C ATOM 157 CD2 PHE A 11 0.042 2.586 5.272 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.754 4.885 3.941 1.00 0.00 C ATOM 159 CE2 PHE A 11 1.012 2.562 4.237 1.00 0.00 C ATOM 160 CZ PHE A 11 1.348 3.712 3.593 1.00 0.00 C ATOM 0 H PHE A 11 -2.843 6.205 6.685 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.321 3.566 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.283 4.491 7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.638 2.801 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.691 5.839 5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.223 1.673 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.021 5.798 3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.484 1.631 3.960 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.087 3.694 2.805 1.00 0.00 H new ATOM 170 N ILE A 12 -4.961 3.044 7.122 1.00 0.00 N ATOM 171 CA ILE A 12 -5.974 2.711 8.109 1.00 0.00 C ATOM 172 C ILE A 12 -5.518 1.489 8.910 1.00 0.00 C ATOM 173 O ILE A 12 -5.694 0.354 8.472 1.00 0.00 O ATOM 174 CB ILE A 12 -7.337 2.532 7.438 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.602 3.650 6.428 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.452 2.425 8.481 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.590 3.196 5.353 1.00 0.00 C ATOM 0 H ILE A 12 -5.061 2.562 6.229 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.098 3.529 8.818 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.324 1.594 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.998 4.525 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.665 3.952 5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.410 2.298 7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.265 1.567 9.127 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.476 3.333 9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.760 4.010 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.181 2.336 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.534 2.918 5.821 1.00 0.00 H new ATOM 189 N ASN A 13 -4.942 1.764 10.072 1.00 0.00 N ATOM 190 CA ASN A 13 -4.459 0.702 10.937 1.00 0.00 C ATOM 191 C ASN A 13 -5.601 -0.274 11.224 1.00 0.00 C ATOM 192 O ASN A 13 -6.757 0.131 11.333 1.00 0.00 O ATOM 193 CB ASN A 13 -3.970 1.262 12.274 1.00 0.00 C ATOM 194 CG ASN A 13 -2.677 0.574 12.717 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.094 -0.226 12.003 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.264 0.927 13.931 1.00 0.00 N ATOM 0 H ASN A 13 -4.799 2.707 10.434 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.633 0.203 10.430 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.802 2.335 12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.739 1.123 13.034 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.411 0.522 14.317 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.800 1.603 14.476 1.00 0.00 H new ATOM 203 N ARG A 14 -5.237 -1.543 11.337 1.00 0.00 N ATOM 204 CA ARG A 14 -6.217 -2.582 11.608 1.00 0.00 C ATOM 205 C ARG A 14 -7.087 -2.191 12.805 1.00 0.00 C ATOM 206 O ARG A 14 -8.202 -2.689 12.955 1.00 0.00 O ATOM 207 CB ARG A 14 -5.535 -3.920 11.898 1.00 0.00 C ATOM 208 CG ARG A 14 -4.342 -3.737 12.839 1.00 0.00 C ATOM 209 CD ARG A 14 -3.932 -5.067 13.470 1.00 0.00 C ATOM 210 NE ARG A 14 -4.216 -5.046 14.924 1.00 0.00 N ATOM 211 CZ ARG A 14 -4.237 -6.146 15.706 1.00 0.00 C ATOM 212 NH1 ARG A 14 -3.989 -7.366 15.182 1.00 0.00 N ATOM 213 NH2 ARG A 14 -4.502 -6.012 16.992 1.00 0.00 N ATOM 0 H ARG A 14 -4.277 -1.876 11.246 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.840 -2.690 10.720 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.252 -4.608 12.345 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.200 -4.371 10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.501 -3.318 12.288 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.598 -3.023 13.622 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.474 -5.886 12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.870 -5.247 13.301 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.407 -4.145 15.361 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.784 -7.462 14.187 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.007 -8.192 15.781 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.687 -5.087 17.381 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.522 -6.833 17.597 1.00 0.00 H new ATOM 226 N ASP A 15 -6.545 -1.303 13.625 1.00 0.00 N ATOM 227 CA ASP A 15 -7.257 -0.840 14.803 1.00 0.00 C ATOM 228 C ASP A 15 -8.472 -0.017 14.368 1.00 0.00 C ATOM 229 O ASP A 15 -9.515 -0.053 15.019 1.00 0.00 O ATOM 230 CB ASP A 15 -6.367 0.053 15.670 1.00 0.00 C ATOM 231 CG ASP A 15 -6.212 -0.404 17.122 1.00 0.00 C ATOM 232 OD1 ASP A 15 -7.183 -0.825 17.767 1.00 0.00 O ATOM 233 OD2 ASP A 15 -5.016 -0.312 17.597 1.00 0.00 O ATOM 0 H ASP A 15 -5.620 -0.892 13.497 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.560 -1.714 15.379 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.378 0.107 15.214 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.776 1.063 15.664 1.00 0.00 H new ATOM 239 N GLY A 16 -8.296 0.704 13.272 1.00 0.00 N ATOM 240 CA GLY A 16 -9.364 1.534 12.743 1.00 0.00 C ATOM 241 C GLY A 16 -8.911 2.990 12.603 1.00 0.00 C ATOM 242 O GLY A 16 -9.606 3.805 12.000 1.00 0.00 O ATOM 0 H GLY A 16 -7.429 0.731 12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.678 1.152 11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.231 1.481 13.402 1.00 0.00 H new ATOM 246 N GLU A 17 -7.747 3.270 13.170 1.00 0.00 N ATOM 247 CA GLU A 17 -7.192 4.612 13.116 1.00 0.00 C ATOM 248 C GLU A 17 -6.534 4.860 11.757 1.00 0.00 C ATOM 249 O GLU A 17 -6.065 3.925 11.111 1.00 0.00 O ATOM 250 CB GLU A 17 -6.198 4.841 14.257 1.00 0.00 C ATOM 251 CG GLU A 17 -4.975 3.933 14.109 1.00 0.00 C ATOM 252 CD GLU A 17 -3.817 4.428 14.978 1.00 0.00 C ATOM 253 OE1 GLU A 17 -3.349 5.562 14.799 1.00 0.00 O ATOM 254 OE2 GLU A 17 -3.404 3.588 15.866 1.00 0.00 O ATOM 0 H GLU A 17 -7.173 2.591 13.669 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.006 5.326 13.239 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.882 5.884 14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.685 4.648 15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.238 2.914 14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.664 3.903 13.065 1.00 0.00 H new ATOM 262 N THR A 18 -6.520 6.125 11.365 1.00 0.00 N ATOM 263 CA THR A 18 -5.927 6.508 10.094 1.00 0.00 C ATOM 264 C THR A 18 -4.568 7.174 10.320 1.00 0.00 C ATOM 265 O THR A 18 -4.465 8.145 11.068 1.00 0.00 O ATOM 266 CB THR A 18 -6.926 7.400 9.356 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.897 6.489 8.849 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.325 8.041 8.103 1.00 0.00 C ATOM 0 H THR A 18 -6.909 6.898 11.904 1.00 0.00 H new ATOM 0 HA THR A 18 -5.727 5.636 9.471 1.00 0.00 H new ATOM 0 HB THR A 18 -7.280 8.181 10.028 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.585 6.984 8.357 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.076 8.664 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.470 8.656 8.383 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.001 7.260 7.415 1.00 0.00 H new ATOM 276 N LEU A 19 -3.559 6.626 9.658 1.00 0.00 N ATOM 277 CA LEU A 19 -2.211 7.154 9.776 1.00 0.00 C ATOM 278 C LEU A 19 -1.892 8.006 8.546 1.00 0.00 C ATOM 279 O LEU A 19 -2.458 7.791 7.475 1.00 0.00 O ATOM 280 CB LEU A 19 -1.211 6.022 10.017 1.00 0.00 C ATOM 281 CG LEU A 19 -1.109 5.511 11.456 1.00 0.00 C ATOM 282 CD1 LEU A 19 -2.458 4.978 11.945 1.00 0.00 C ATOM 283 CD2 LEU A 19 0.002 4.469 11.591 1.00 0.00 C ATOM 0 H LEU A 19 -3.649 5.821 9.038 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.132 7.807 10.645 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.479 5.184 9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.224 6.363 9.703 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.842 6.350 12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.358 4.621 12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.199 5.776 11.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.779 4.156 11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.053 4.123 12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.209 3.625 10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.956 4.916 11.311 1.00 0.00 H new ATOM 295 N THR A 20 -0.986 8.953 8.740 1.00 0.00 N ATOM 296 CA THR A 20 -0.585 9.837 7.659 1.00 0.00 C ATOM 297 C THR A 20 0.903 9.661 7.351 1.00 0.00 C ATOM 298 O THR A 20 1.726 9.593 8.263 1.00 0.00 O ATOM 299 CB THR A 20 -0.959 11.267 8.054 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.322 11.170 8.459 1.00 0.00 O ATOM 301 CG2 THR A 20 -0.992 12.216 6.855 1.00 0.00 C ATOM 0 H THR A 20 -0.518 9.127 9.630 1.00 0.00 H new ATOM 0 HA THR A 20 -1.107 9.593 6.734 1.00 0.00 H new ATOM 0 HB THR A 20 -0.246 11.638 8.790 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.645 12.053 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.263 13.217 7.191 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.008 12.244 6.386 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.729 11.864 6.133 1.00 0.00 H new ATOM 309 N THR A 21 1.204 9.593 6.062 1.00 0.00 N ATOM 310 CA THR A 21 2.579 9.426 5.623 1.00 0.00 C ATOM 311 C THR A 21 2.703 9.738 4.129 1.00 0.00 C ATOM 312 O THR A 21 1.941 9.215 3.318 1.00 0.00 O ATOM 313 CB THR A 21 3.023 8.008 5.986 1.00 0.00 C ATOM 314 OG1 THR A 21 4.434 8.024 5.785 1.00 0.00 O ATOM 315 CG2 THR A 21 2.517 6.963 4.990 1.00 0.00 C ATOM 0 H THR A 21 0.519 9.651 5.308 1.00 0.00 H new ATOM 0 HA THR A 21 3.243 10.128 6.127 1.00 0.00 H new ATOM 0 HB THR A 21 2.665 7.760 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.783 7.110 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.860 5.974 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.427 6.978 4.969 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.902 7.191 3.996 1.00 0.00 H new ATOM 323 N LYS A 22 3.668 10.588 3.813 1.00 0.00 N ATOM 324 CA LYS A 22 3.902 10.976 2.433 1.00 0.00 C ATOM 325 C LYS A 22 4.632 9.844 1.707 1.00 0.00 C ATOM 326 O LYS A 22 5.419 9.119 2.313 1.00 0.00 O ATOM 327 CB LYS A 22 4.631 12.319 2.369 1.00 0.00 C ATOM 328 CG LYS A 22 3.819 13.417 3.058 1.00 0.00 C ATOM 329 CD LYS A 22 4.180 14.796 2.504 1.00 0.00 C ATOM 330 CE LYS A 22 2.925 15.637 2.265 1.00 0.00 C ATOM 0 H LYS A 22 4.298 11.019 4.490 1.00 0.00 H new ATOM 0 HA LYS A 22 2.955 11.130 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.607 12.230 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.808 12.591 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.755 13.231 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.005 13.392 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.840 15.311 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.730 14.684 1.570 1.00 0.00 H new ATOM 344 N GLY A 23 4.346 9.728 0.418 1.00 0.00 N ATOM 345 CA GLY A 23 4.966 8.697 -0.397 1.00 0.00 C ATOM 346 C GLY A 23 6.034 9.294 -1.316 1.00 0.00 C ATOM 347 O GLY A 23 7.109 9.678 -0.858 1.00 0.00 O ATOM 0 H GLY A 23 3.693 10.331 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.416 7.941 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.206 8.195 -0.995 1.00 0.00 H new ATOM 351 N LYS A 24 5.701 9.352 -2.598 1.00 0.00 N ATOM 352 CA LYS A 24 6.618 9.895 -3.585 1.00 0.00 C ATOM 353 C LYS A 24 6.335 9.253 -4.945 1.00 0.00 C ATOM 354 O LYS A 24 6.876 8.194 -5.260 1.00 0.00 O ATOM 355 CB LYS A 24 8.066 9.733 -3.117 1.00 0.00 C ATOM 356 CG LYS A 24 9.033 9.786 -4.301 1.00 0.00 C ATOM 357 CD LYS A 24 10.482 9.905 -3.822 1.00 0.00 C ATOM 358 CE LYS A 24 11.420 10.224 -4.987 1.00 0.00 C ATOM 0 H LYS A 24 4.809 9.032 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 24 6.463 10.968 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.313 10.521 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.179 8.784 -2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.920 8.888 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.786 10.635 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.556 10.687 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.790 8.973 -3.347 1.00 0.00 H new ATOM 372 N ILE A 25 5.488 9.921 -5.714 1.00 0.00 N ATOM 373 CA ILE A 25 5.127 9.428 -7.032 1.00 0.00 C ATOM 374 C ILE A 25 6.322 8.693 -7.643 1.00 0.00 C ATOM 375 O ILE A 25 7.219 9.318 -8.205 1.00 0.00 O ATOM 376 CB ILE A 25 4.597 10.569 -7.904 1.00 0.00 C ATOM 377 CG1 ILE A 25 4.671 10.204 -9.388 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.328 11.878 -7.598 1.00 0.00 C ATOM 379 CD1 ILE A 25 3.347 10.508 -10.093 1.00 0.00 C ATOM 0 H ILE A 25 5.041 10.799 -5.450 1.00 0.00 H new ATOM 0 HA ILE A 25 4.312 8.707 -6.958 1.00 0.00 H new ATOM 0 HB ILE A 25 3.545 10.724 -7.663 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.477 10.762 -9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.910 9.146 -9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.932 12.672 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.180 12.141 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.393 11.754 -7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.426 10.240 -11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.547 9.930 -9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.124 11.571 -10.005 1.00 0.00 H new ATOM 391 N GLY A 26 6.294 7.374 -7.510 1.00 0.00 N ATOM 392 CA GLY A 26 7.365 6.547 -8.041 1.00 0.00 C ATOM 393 C GLY A 26 7.877 5.568 -6.982 1.00 0.00 C ATOM 394 O GLY A 26 8.583 4.613 -7.304 1.00 0.00 O ATOM 0 H GLY A 26 5.548 6.859 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.006 5.994 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.184 7.181 -8.382 1.00 0.00 H new ATOM 398 N ASP A 27 7.502 5.839 -5.740 1.00 0.00 N ATOM 399 CA ASP A 27 7.916 4.994 -4.634 1.00 0.00 C ATOM 400 C ASP A 27 6.992 3.776 -4.554 1.00 0.00 C ATOM 401 O ASP A 27 5.857 3.822 -5.027 1.00 0.00 O ATOM 402 CB ASP A 27 7.823 5.745 -3.303 1.00 0.00 C ATOM 403 CG ASP A 27 8.478 5.038 -2.114 1.00 0.00 C ATOM 404 OD1 ASP A 27 9.208 4.049 -2.283 1.00 0.00 O ATOM 405 OD2 ASP A 27 8.207 5.547 -0.961 1.00 0.00 O ATOM 0 H ASP A 27 6.916 6.631 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 27 8.949 4.693 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.285 6.725 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.771 5.914 -3.071 1.00 0.00 H new ATOM 411 N SER A 28 7.514 2.717 -3.954 1.00 0.00 N ATOM 412 CA SER A 28 6.750 1.489 -3.807 1.00 0.00 C ATOM 413 C SER A 28 5.542 1.729 -2.899 1.00 0.00 C ATOM 414 O SER A 28 4.443 2.000 -3.381 1.00 0.00 O ATOM 415 CB SER A 28 7.620 0.363 -3.246 1.00 0.00 C ATOM 416 OG SER A 28 7.943 -0.607 -4.238 1.00 0.00 O ATOM 0 H SER A 28 8.456 2.683 -3.564 1.00 0.00 H new ATOM 0 HA SER A 28 6.400 1.184 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.539 0.784 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.098 -0.122 -2.421 1.00 0.00 H new ATOM 0 HG SER A 28 8.501 -1.308 -3.841 1.00 0.00 H new ATOM 422 N LEU A 29 5.786 1.623 -1.602 1.00 0.00 N ATOM 423 CA LEU A 29 4.733 1.825 -0.622 1.00 0.00 C ATOM 424 C LEU A 29 5.221 1.355 0.749 1.00 0.00 C ATOM 425 O LEU A 29 5.137 2.094 1.729 1.00 0.00 O ATOM 426 CB LEU A 29 3.439 1.148 -1.079 1.00 0.00 C ATOM 427 CG LEU A 29 2.291 2.084 -1.460 1.00 0.00 C ATOM 428 CD1 LEU A 29 1.137 1.307 -2.098 1.00 0.00 C ATOM 429 CD2 LEU A 29 1.830 2.906 -0.254 1.00 0.00 C ATOM 0 H LEU A 29 6.699 1.399 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 29 4.496 2.885 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.667 0.516 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.095 0.490 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 29 2.658 2.787 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.334 1.997 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.491 0.804 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.763 0.566 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.013 3.563 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.487 2.235 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.661 3.506 0.117 1.00 0.00 H new ATOM 441 N LEU A 30 5.719 0.127 0.777 1.00 0.00 N ATOM 442 CA LEU A 30 6.220 -0.450 2.012 1.00 0.00 C ATOM 443 C LEU A 30 7.303 0.462 2.594 1.00 0.00 C ATOM 444 O LEU A 30 7.313 0.732 3.794 1.00 0.00 O ATOM 445 CB LEU A 30 6.688 -1.888 1.782 1.00 0.00 C ATOM 446 CG LEU A 30 5.633 -2.978 1.991 1.00 0.00 C ATOM 447 CD1 LEU A 30 4.818 -3.203 0.716 1.00 0.00 C ATOM 448 CD2 LEU A 30 6.275 -4.271 2.497 1.00 0.00 C ATOM 0 H LEU A 30 5.786 -0.484 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 30 5.423 -0.513 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.067 -1.967 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.526 -2.088 2.450 1.00 0.00 H new ATOM 0 HG LEU A 30 4.939 -2.640 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.076 -3.982 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.314 -2.277 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.483 -3.510 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.504 -5.029 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.004 -4.625 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.775 -4.082 3.447 1.00 0.00 H new ATOM 460 N ASP A 31 8.187 0.912 1.716 1.00 0.00 N ATOM 461 CA ASP A 31 9.271 1.788 2.128 1.00 0.00 C ATOM 462 C ASP A 31 8.693 2.990 2.877 1.00 0.00 C ATOM 463 O ASP A 31 9.236 3.410 3.897 1.00 0.00 O ATOM 464 CB ASP A 31 10.044 2.313 0.916 1.00 0.00 C ATOM 465 CG ASP A 31 9.284 2.259 -0.410 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.099 2.622 -0.481 1.00 0.00 O ATOM 467 OD2 ASP A 31 9.965 1.818 -1.412 1.00 0.00 O ATOM 0 H ASP A 31 8.175 0.687 0.721 1.00 0.00 H new ATOM 0 HA ASP A 31 9.944 1.215 2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.334 3.346 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.964 1.737 0.814 1.00 0.00 H new ATOM 473 N VAL A 32 7.599 3.511 2.340 1.00 0.00 N ATOM 474 CA VAL A 32 6.941 4.657 2.945 1.00 0.00 C ATOM 475 C VAL A 32 6.572 4.322 4.392 1.00 0.00 C ATOM 476 O VAL A 32 6.577 5.198 5.256 1.00 0.00 O ATOM 477 CB VAL A 32 5.736 5.074 2.102 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.011 6.265 2.731 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.154 5.385 0.663 1.00 0.00 C ATOM 0 H VAL A 32 7.152 3.161 1.493 1.00 0.00 H new ATOM 0 HA VAL A 32 7.614 5.514 2.971 1.00 0.00 H new ATOM 0 HB VAL A 32 5.041 4.235 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.158 6.541 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.662 5.994 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.695 7.110 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.278 5.679 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.879 6.199 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.603 4.499 0.215 1.00 0.00 H new ATOM 489 N VAL A 33 6.259 3.053 4.611 1.00 0.00 N ATOM 490 CA VAL A 33 5.887 2.592 5.937 1.00 0.00 C ATOM 491 C VAL A 33 7.148 2.436 6.790 1.00 0.00 C ATOM 492 O VAL A 33 7.129 2.710 7.989 1.00 0.00 O ATOM 493 CB VAL A 33 5.073 1.301 5.834 1.00 0.00 C ATOM 494 CG1 VAL A 33 5.023 0.575 7.179 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.664 1.583 5.309 1.00 0.00 C ATOM 0 H VAL A 33 6.256 2.330 3.892 1.00 0.00 H new ATOM 0 HA VAL A 33 5.248 3.325 6.430 1.00 0.00 H new ATOM 0 HB VAL A 33 5.572 0.646 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.438 -0.339 7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.036 0.325 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.559 1.221 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.106 0.649 5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.153 2.266 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.728 2.036 4.320 1.00 0.00 H new ATOM 505 N VAL A 34 8.214 1.996 6.139 1.00 0.00 N ATOM 506 CA VAL A 34 9.482 1.800 6.822 1.00 0.00 C ATOM 507 C VAL A 34 9.974 3.142 7.369 1.00 0.00 C ATOM 508 O VAL A 34 10.273 3.260 8.557 1.00 0.00 O ATOM 509 CB VAL A 34 10.487 1.135 5.880 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.922 1.498 6.264 1.00 0.00 C ATOM 511 CG2 VAL A 34 10.293 -0.383 5.856 1.00 0.00 C ATOM 0 H VAL A 34 8.226 1.769 5.145 1.00 0.00 H new ATOM 0 HA VAL A 34 9.358 1.128 7.671 1.00 0.00 H new ATOM 0 HB VAL A 34 10.304 1.513 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.616 1.012 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.052 2.579 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.122 1.162 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.020 -0.832 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.436 -0.784 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.285 -0.616 5.513 1.00 0.00 H new ATOM 521 N GLN A 35 10.042 4.120 6.478 1.00 0.00 N ATOM 522 CA GLN A 35 10.492 5.448 6.856 1.00 0.00 C ATOM 523 C GLN A 35 9.525 6.068 7.866 1.00 0.00 C ATOM 524 O GLN A 35 9.828 7.095 8.471 1.00 0.00 O ATOM 525 CB GLN A 35 10.649 6.345 5.627 1.00 0.00 C ATOM 526 CG GLN A 35 9.309 6.539 4.914 1.00 0.00 C ATOM 527 CD GLN A 35 9.107 8.003 4.518 1.00 0.00 C ATOM 528 OE1 GLN A 35 8.858 8.868 5.341 1.00 0.00 O ATOM 529 NE2 GLN A 35 9.227 8.231 3.213 1.00 0.00 N ATOM 0 H GLN A 35 9.793 4.019 5.494 1.00 0.00 H new ATOM 0 HA GLN A 35 11.471 5.358 7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.048 7.314 5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.370 5.903 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.271 5.909 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.496 6.219 5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.437 7.461 2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.109 9.176 2.847 1.00 0.00 H new ATOM 538 N ASN A 36 8.380 5.418 8.019 1.00 0.00 N ATOM 539 CA ASN A 36 7.367 5.893 8.946 1.00 0.00 C ATOM 540 C ASN A 36 7.549 5.194 10.294 1.00 0.00 C ATOM 541 O ASN A 36 6.865 5.521 11.264 1.00 0.00 O ATOM 542 CB ASN A 36 5.961 5.576 8.434 1.00 0.00 C ATOM 543 CG ASN A 36 4.975 5.432 9.594 1.00 0.00 C ATOM 544 OD1 ASN A 36 4.750 4.356 10.123 1.00 0.00 O ATOM 545 ND2 ASN A 36 4.399 6.574 9.960 1.00 0.00 N ATOM 0 H ASN A 36 8.132 4.566 7.516 1.00 0.00 H new ATOM 0 HA ASN A 36 7.479 6.973 9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.627 6.368 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.981 4.654 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.725 6.583 10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.632 7.441 9.475 1.00 0.00 H new ATOM 552 N ASN A 37 8.472 4.244 10.314 1.00 0.00 N ATOM 553 CA ASN A 37 8.751 3.495 11.527 1.00 0.00 C ATOM 554 C ASN A 37 7.755 2.342 11.651 1.00 0.00 C ATOM 555 O ASN A 37 7.546 1.811 12.741 1.00 0.00 O ATOM 556 CB ASN A 37 8.606 4.382 12.766 1.00 0.00 C ATOM 557 CG ASN A 37 9.462 3.855 13.919 1.00 0.00 C ATOM 558 OD1 ASN A 37 10.623 3.514 13.760 1.00 0.00 O ATOM 559 ND2 ASN A 37 8.827 3.809 15.087 1.00 0.00 N ATOM 0 H ASN A 37 9.037 3.976 9.508 1.00 0.00 H new ATOM 0 HA ASN A 37 9.774 3.123 11.466 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.903 5.402 12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.560 4.419 13.071 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.313 3.473 15.919 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.854 4.110 15.151 1.00 0.00 H new ATOM 566 N LEU A 38 7.164 1.988 10.519 1.00 0.00 N ATOM 567 CA LEU A 38 6.193 0.908 10.487 1.00 0.00 C ATOM 568 C LEU A 38 5.354 0.944 11.766 1.00 0.00 C ATOM 569 O LEU A 38 5.548 0.126 12.663 1.00 0.00 O ATOM 570 CB LEU A 38 6.892 -0.433 10.248 1.00 0.00 C ATOM 571 CG LEU A 38 7.880 -0.877 11.328 1.00 0.00 C ATOM 572 CD1 LEU A 38 7.704 -2.360 11.656 1.00 0.00 C ATOM 573 CD2 LEU A 38 9.318 -0.545 10.926 1.00 0.00 C ATOM 0 H LEU A 38 7.339 2.431 9.617 1.00 0.00 H new ATOM 0 HA LEU A 38 5.506 1.038 9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.129 -1.204 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.423 -0.379 9.298 1.00 0.00 H new ATOM 0 HG LEU A 38 7.664 -0.319 12.239 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.419 -2.650 12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.690 -2.535 12.017 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.877 -2.954 10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.000 -0.871 11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.563 -1.058 9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.417 0.531 10.784 1.00 0.00 H new ATOM 585 N ASP A 39 4.439 1.901 11.807 1.00 0.00 N ATOM 586 CA ASP A 39 3.569 2.055 12.962 1.00 0.00 C ATOM 587 C ASP A 39 2.223 1.386 12.673 1.00 0.00 C ATOM 588 O ASP A 39 1.177 1.890 13.078 1.00 0.00 O ATOM 589 CB ASP A 39 3.308 3.532 13.262 1.00 0.00 C ATOM 590 CG ASP A 39 3.284 3.896 14.747 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.572 3.057 15.615 1.00 0.00 O ATOM 592 OD2 ASP A 39 2.947 5.114 15.006 1.00 0.00 O ATOM 0 H ASP A 39 4.281 2.577 11.060 1.00 0.00 H new ATOM 0 HA ASP A 39 4.061 1.595 13.819 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.076 4.128 12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.353 3.814 12.819 1.00 0.00 H new ATOM 598 N ILE A 40 2.295 0.263 11.975 1.00 0.00 N ATOM 599 CA ILE A 40 1.095 -0.480 11.628 1.00 0.00 C ATOM 600 C ILE A 40 1.373 -1.979 11.756 1.00 0.00 C ATOM 601 O ILE A 40 2.483 -2.434 11.480 1.00 0.00 O ATOM 602 CB ILE A 40 0.589 -0.064 10.245 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.170 1.407 10.234 1.00 0.00 C ATOM 604 CG2 ILE A 40 -0.538 -0.985 9.774 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.015 1.923 8.802 1.00 0.00 C ATOM 0 H ILE A 40 3.165 -0.151 11.640 1.00 0.00 H new ATOM 0 HA ILE A 40 0.288 -0.245 12.322 1.00 0.00 H new ATOM 0 HB ILE A 40 1.409 -0.170 9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.772 1.525 10.770 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.914 2.005 10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.880 -0.668 8.789 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.171 -2.010 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.368 -0.935 10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.283 2.971 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.965 1.827 8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.747 1.339 8.285 1.00 0.00 H new ATOM 657 N GLY A 44 4.516 -5.852 5.467 1.00 0.00 N ATOM 658 CA GLY A 44 5.218 -7.041 5.016 1.00 0.00 C ATOM 659 C GLY A 44 6.281 -7.467 6.031 1.00 0.00 C ATOM 660 O GLY A 44 6.160 -7.178 7.220 1.00 0.00 O ATOM 0 HA2 GLY A 44 4.507 -7.853 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.688 -6.847 4.052 1.00 0.00 H new ATOM 664 N ALA A 45 7.299 -8.148 5.525 1.00 0.00 N ATOM 665 CA ALA A 45 8.382 -8.616 6.371 1.00 0.00 C ATOM 666 C ALA A 45 9.590 -8.968 5.501 1.00 0.00 C ATOM 667 O ALA A 45 10.771 -8.602 5.734 1.00 0.00 O ATOM 668 CB ALA A 45 7.900 -9.805 7.207 1.00 0.00 C ATOM 0 H ALA A 45 7.396 -8.387 4.538 1.00 0.00 H new ATOM 0 HA ALA A 45 8.692 -7.833 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.713 -10.157 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.061 -9.495 7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.583 -10.611 6.545 1.00 0.00 H new ATOM 674 N CYS A 46 9.317 -9.710 4.439 1.00 0.00 N ATOM 675 CA CYS A 46 10.314 -10.157 3.481 1.00 0.00 C ATOM 676 C CYS A 46 10.915 -9.029 2.665 1.00 0.00 C ATOM 677 O CYS A 46 11.755 -9.324 1.816 1.00 0.00 O ATOM 678 CB CYS A 46 9.786 -11.260 2.573 1.00 0.00 C ATOM 679 SG CYS A 46 8.671 -10.797 1.231 1.00 0.00 S ATOM 0 H CYS A 46 8.373 -10.025 4.215 1.00 0.00 H new ATOM 0 HA CYS A 46 11.122 -10.572 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.644 -11.769 2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.270 -11.988 3.199 1.00 0.00 H new ATOM 0 HG CYS A 46 7.442 -11.025 1.590 1.00 0.00 H new ATOM 684 N GLU A 47 10.488 -7.797 2.903 1.00 0.00 N ATOM 685 CA GLU A 47 11.002 -6.668 2.148 1.00 0.00 C ATOM 686 C GLU A 47 10.173 -6.455 0.880 1.00 0.00 C ATOM 687 O GLU A 47 10.205 -5.379 0.286 1.00 0.00 O ATOM 688 CB GLU A 47 12.482 -6.863 1.809 1.00 0.00 C ATOM 689 CG GLU A 47 13.189 -5.516 1.646 1.00 0.00 C ATOM 690 CD GLU A 47 14.667 -5.711 1.304 1.00 0.00 C ATOM 691 OE1 GLU A 47 15.497 -5.875 2.211 1.00 0.00 O ATOM 692 OE2 GLU A 47 14.944 -5.689 0.043 1.00 0.00 O ATOM 0 H GLU A 47 9.792 -7.557 3.608 1.00 0.00 H new ATOM 0 HA GLU A 47 10.919 -5.775 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.967 -7.439 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.575 -7.440 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.703 -4.939 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.098 -4.940 2.567 1.00 0.00 H new ATOM 700 N GLY A 48 9.450 -7.500 0.503 1.00 0.00 N ATOM 701 CA GLY A 48 8.613 -7.441 -0.684 1.00 0.00 C ATOM 702 C GLY A 48 9.254 -8.202 -1.846 1.00 0.00 C ATOM 703 O GLY A 48 9.791 -7.593 -2.771 1.00 0.00 O ATOM 0 H GLY A 48 9.426 -8.392 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.633 -7.865 -0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.454 -6.401 -0.970 1.00 0.00 H new ATOM 707 N THR A 49 9.178 -9.522 -1.760 1.00 0.00 N ATOM 708 CA THR A 49 9.744 -10.373 -2.793 1.00 0.00 C ATOM 709 C THR A 49 8.894 -11.632 -2.972 1.00 0.00 C ATOM 710 O THR A 49 9.310 -12.576 -3.644 1.00 0.00 O ATOM 711 CB THR A 49 11.198 -10.668 -2.417 1.00 0.00 C ATOM 712 OG1 THR A 49 11.153 -10.893 -1.011 1.00 0.00 O ATOM 713 CG2 THR A 49 12.103 -9.445 -2.571 1.00 0.00 C ATOM 0 H THR A 49 8.733 -10.023 -0.991 1.00 0.00 H new ATOM 0 HA THR A 49 9.738 -9.876 -3.763 1.00 0.00 H new ATOM 0 HB THR A 49 11.577 -11.479 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.054 -11.093 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.123 -9.709 -2.291 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.087 -9.108 -3.608 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.746 -8.644 -1.924 1.00 0.00 H new ATOM 721 N LEU A 50 7.720 -11.607 -2.359 1.00 0.00 N ATOM 722 CA LEU A 50 6.808 -12.735 -2.443 1.00 0.00 C ATOM 723 C LEU A 50 7.393 -13.917 -1.667 1.00 0.00 C ATOM 724 O LEU A 50 7.955 -14.836 -2.260 1.00 0.00 O ATOM 725 CB LEU A 50 6.486 -13.057 -3.904 1.00 0.00 C ATOM 726 CG LEU A 50 5.790 -11.951 -4.697 1.00 0.00 C ATOM 727 CD1 LEU A 50 5.302 -12.469 -6.051 1.00 0.00 C ATOM 728 CD2 LEU A 50 4.658 -11.321 -3.883 1.00 0.00 C ATOM 0 H LEU A 50 7.379 -10.823 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 50 5.854 -12.488 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.416 -13.311 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.856 -13.946 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 50 6.519 -11.166 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.811 -11.661 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.152 -12.831 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.595 -13.284 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.180 -10.537 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.923 -12.085 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.064 -10.891 -2.967 1.00 0.00 H new ATOM 740 N ALA A 51 7.241 -13.854 -0.352 1.00 0.00 N ATOM 741 CA ALA A 51 7.747 -14.907 0.511 1.00 0.00 C ATOM 742 C ALA A 51 7.060 -14.818 1.875 1.00 0.00 C ATOM 743 O ALA A 51 6.657 -15.833 2.439 1.00 0.00 O ATOM 744 CB ALA A 51 9.269 -14.793 0.616 1.00 0.00 C ATOM 0 H ALA A 51 6.774 -13.090 0.136 1.00 0.00 H new ATOM 0 HA ALA A 51 7.521 -15.888 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.649 -15.583 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.711 -14.893 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.533 -13.822 1.035 1.00 0.00 H new ATOM 750 N CYS A 52 6.947 -13.591 2.365 1.00 0.00 N ATOM 751 CA CYS A 52 6.315 -13.356 3.652 1.00 0.00 C ATOM 752 C CYS A 52 4.820 -13.654 3.516 1.00 0.00 C ATOM 753 O CYS A 52 4.237 -14.324 4.365 1.00 0.00 O ATOM 754 CB CYS A 52 6.570 -11.934 4.156 1.00 0.00 C ATOM 755 SG CYS A 52 5.976 -10.718 2.923 1.00 0.00 S ATOM 0 H CYS A 52 7.282 -12.751 1.894 1.00 0.00 H new ATOM 0 HA CYS A 52 6.750 -14.020 4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.060 -11.779 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.635 -11.789 4.338 1.00 0.00 H new ATOM 0 HG CYS A 52 6.955 -9.934 2.580 1.00 0.00 H new ATOM 761 N SER A 53 4.243 -13.141 2.438 1.00 0.00 N ATOM 762 CA SER A 53 2.828 -13.343 2.179 1.00 0.00 C ATOM 763 C SER A 53 1.998 -12.762 3.326 1.00 0.00 C ATOM 764 O SER A 53 1.236 -13.480 3.972 1.00 0.00 O ATOM 765 CB SER A 53 2.509 -14.828 1.994 1.00 0.00 C ATOM 766 OG SER A 53 1.132 -15.111 2.224 1.00 0.00 O ATOM 0 H SER A 53 4.730 -12.586 1.735 1.00 0.00 H new ATOM 0 HA SER A 53 2.572 -12.825 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.778 -15.133 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.119 -15.418 2.678 1.00 0.00 H new ATOM 0 HG SER A 53 0.908 -14.909 3.156 1.00 0.00 H new ATOM 772 N THR A 54 2.173 -11.466 3.542 1.00 0.00 N ATOM 773 CA THR A 54 1.449 -10.780 4.598 1.00 0.00 C ATOM 774 C THR A 54 1.136 -9.341 4.183 1.00 0.00 C ATOM 775 O THR A 54 0.014 -8.869 4.360 1.00 0.00 O ATOM 776 CB THR A 54 2.280 -10.876 5.880 1.00 0.00 C ATOM 777 OG1 THR A 54 3.620 -10.673 5.440 1.00 0.00 O ATOM 778 CG2 THR A 54 2.289 -12.288 6.467 1.00 0.00 C ATOM 0 H THR A 54 2.805 -10.874 3.004 1.00 0.00 H new ATOM 0 HA THR A 54 0.482 -11.248 4.784 1.00 0.00 H new ATOM 0 HB THR A 54 1.888 -10.179 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.227 -10.718 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.892 -12.301 7.375 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.269 -12.590 6.705 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.712 -12.981 5.740 1.00 0.00 H new ATOM 786 N CYS A 55 2.149 -8.683 3.637 1.00 0.00 N ATOM 787 CA CYS A 55 1.996 -7.308 3.195 1.00 0.00 C ATOM 788 C CYS A 55 0.747 -7.222 2.315 1.00 0.00 C ATOM 789 O CYS A 55 0.626 -7.948 1.330 1.00 0.00 O ATOM 790 CB CYS A 55 3.244 -6.806 2.465 1.00 0.00 C ATOM 791 SG CYS A 55 3.375 -4.988 2.626 1.00 0.00 S ATOM 0 H CYS A 55 3.078 -9.077 3.491 1.00 0.00 H new ATOM 0 HA CYS A 55 1.875 -6.657 4.061 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.133 -7.281 2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.196 -7.083 1.412 1.00 0.00 H new ATOM 0 HG CYS A 55 3.844 -4.689 3.801 1.00 0.00 H new ATOM 797 N HIS A 56 -0.150 -6.328 2.703 1.00 0.00 N ATOM 798 CA HIS A 56 -1.386 -6.137 1.962 1.00 0.00 C ATOM 799 C HIS A 56 -2.044 -4.824 2.390 1.00 0.00 C ATOM 800 O HIS A 56 -2.077 -4.499 3.575 1.00 0.00 O ATOM 801 CB HIS A 56 -2.311 -7.345 2.129 1.00 0.00 C ATOM 802 CG HIS A 56 -2.389 -7.868 3.544 1.00 0.00 C ATOM 803 ND1 HIS A 56 -2.801 -9.154 3.846 1.00 0.00 N ATOM 804 CD2 HIS A 56 -2.102 -7.266 4.734 1.00 0.00 C ATOM 805 CE1 HIS A 56 -2.761 -9.309 5.162 1.00 0.00 C ATOM 0 H HIS A 56 -0.046 -5.728 3.521 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.168 -6.063 0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.313 -7.071 1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.967 -8.146 1.475 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.087 -9.863 3.170 1.00 0.00 H new ATOM 814 N LEU A 57 -2.549 -4.103 1.399 1.00 0.00 N ATOM 815 CA LEU A 57 -3.203 -2.832 1.658 1.00 0.00 C ATOM 816 C LEU A 57 -4.496 -2.754 0.842 1.00 0.00 C ATOM 817 O LEU A 57 -4.557 -3.253 -0.280 1.00 0.00 O ATOM 818 CB LEU A 57 -2.240 -1.671 1.397 1.00 0.00 C ATOM 819 CG LEU A 57 -1.130 -1.476 2.431 1.00 0.00 C ATOM 820 CD1 LEU A 57 -1.705 -1.404 3.847 1.00 0.00 C ATOM 821 CD2 LEU A 57 -0.063 -2.565 2.301 1.00 0.00 C ATOM 0 H LEU A 57 -2.518 -4.375 0.416 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.483 -2.754 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.778 -1.820 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.820 -0.750 1.338 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.643 -0.521 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.894 -1.265 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.398 -0.565 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.233 -2.330 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.715 -2.403 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.519 -3.542 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.377 -2.526 1.304 1.00 0.00 H new ATOM 833 N ILE A 58 -5.497 -2.123 1.439 1.00 0.00 N ATOM 834 CA ILE A 58 -6.784 -1.974 0.782 1.00 0.00 C ATOM 835 C ILE A 58 -6.873 -0.579 0.156 1.00 0.00 C ATOM 836 O ILE A 58 -6.974 0.418 0.867 1.00 0.00 O ATOM 837 CB ILE A 58 -7.922 -2.282 1.757 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.521 -3.390 2.734 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.211 -2.620 1.005 1.00 0.00 C ATOM 840 CD1 ILE A 58 -7.400 -4.736 2.016 1.00 0.00 C ATOM 0 H ILE A 58 -5.442 -1.710 2.370 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.884 -2.696 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.119 -1.387 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.571 -3.138 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.262 -3.464 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.004 -2.835 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.503 -1.773 0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.046 -3.493 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.114 -5.506 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.358 -4.996 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.641 -4.666 1.237 1.00 0.00 H new ATOM 852 N PHE A 59 -6.833 -0.557 -1.168 1.00 0.00 N ATOM 853 CA PHE A 59 -6.908 0.697 -1.898 1.00 0.00 C ATOM 854 C PHE A 59 -8.356 1.042 -2.248 1.00 0.00 C ATOM 855 O PHE A 59 -9.094 0.199 -2.754 1.00 0.00 O ATOM 856 CB PHE A 59 -6.113 0.509 -3.192 1.00 0.00 C ATOM 857 CG PHE A 59 -4.617 0.279 -2.976 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.176 -0.904 -2.470 1.00 0.00 C ATOM 859 CD2 PHE A 59 -3.726 1.258 -3.290 1.00 0.00 C ATOM 860 CE1 PHE A 59 -2.787 -1.118 -2.269 1.00 0.00 C ATOM 861 CE2 PHE A 59 -2.336 1.044 -3.090 1.00 0.00 C ATOM 862 CZ PHE A 59 -1.896 -0.139 -2.583 1.00 0.00 C ATOM 0 H PHE A 59 -6.750 -1.388 -1.754 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.508 1.507 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.525 -0.339 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.248 1.390 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.883 -1.681 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.075 2.198 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.438 -2.058 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.629 1.821 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.839 -0.301 -2.430 1.00 0.00 H new ATOM 872 N GLU A 60 -8.720 2.284 -1.964 1.00 0.00 N ATOM 873 CA GLU A 60 -10.067 2.751 -2.243 1.00 0.00 C ATOM 874 C GLU A 60 -10.622 2.061 -3.491 1.00 0.00 C ATOM 875 O GLU A 60 -9.883 1.800 -4.439 1.00 0.00 O ATOM 876 CB GLU A 60 -10.098 4.273 -2.399 1.00 0.00 C ATOM 877 CG GLU A 60 -10.986 4.915 -1.331 1.00 0.00 C ATOM 878 CD GLU A 60 -11.311 6.367 -1.688 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.642 6.959 -2.549 1.00 0.00 O ATOM 880 OE2 GLU A 60 -12.301 6.880 -1.039 1.00 0.00 O ATOM 0 H GLU A 60 -8.105 2.981 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.702 2.492 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.086 4.671 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.469 4.533 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.910 4.346 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.483 4.878 -0.365 1.00 0.00 H new ATOM 888 N GLN A 61 -11.917 1.784 -3.449 1.00 0.00 N ATOM 889 CA GLN A 61 -12.578 1.128 -4.564 1.00 0.00 C ATOM 890 C GLN A 61 -12.368 1.929 -5.851 1.00 0.00 C ATOM 891 O GLN A 61 -12.586 1.417 -6.947 1.00 0.00 O ATOM 892 CB GLN A 61 -14.069 0.931 -4.278 1.00 0.00 C ATOM 893 CG GLN A 61 -14.833 2.249 -4.420 1.00 0.00 C ATOM 894 CD GLN A 61 -15.983 2.327 -3.415 1.00 0.00 C ATOM 895 OE1 GLN A 61 -15.881 1.888 -2.281 1.00 0.00 O ATOM 896 NE2 GLN A 61 -17.080 2.909 -3.890 1.00 0.00 N ATOM 0 H GLN A 61 -12.526 2.002 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.133 0.142 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.480 0.192 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.201 0.537 -3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.153 3.086 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.224 2.339 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.099 3.255 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.902 3.009 -3.295 1.00 0.00 H new ATOM 905 N HIS A 62 -11.946 3.173 -5.673 1.00 0.00 N ATOM 906 CA HIS A 62 -11.704 4.050 -6.807 1.00 0.00 C ATOM 907 C HIS A 62 -10.207 4.078 -7.123 1.00 0.00 C ATOM 908 O HIS A 62 -9.816 4.099 -8.290 1.00 0.00 O ATOM 909 CB HIS A 62 -12.281 5.443 -6.549 1.00 0.00 C ATOM 910 CG HIS A 62 -12.745 6.156 -7.798 1.00 0.00 C ATOM 911 ND1 HIS A 62 -13.366 7.392 -7.767 1.00 0.00 N ATOM 912 CD2 HIS A 62 -12.671 5.794 -9.110 1.00 0.00 C ATOM 913 CE1 HIS A 62 -13.650 7.748 -9.011 1.00 0.00 C ATOM 0 H HIS A 62 -11.766 3.594 -4.762 1.00 0.00 H new ATOM 0 HA HIS A 62 -12.219 3.664 -7.687 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -13.121 5.355 -5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.525 6.053 -6.054 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -13.570 7.936 -6.929 1.00 0.00 H new ATOM 922 N ILE A 63 -9.411 4.075 -6.065 1.00 0.00 N ATOM 923 CA ILE A 63 -7.966 4.100 -6.215 1.00 0.00 C ATOM 924 C ILE A 63 -7.488 2.743 -6.737 1.00 0.00 C ATOM 925 O ILE A 63 -6.683 2.679 -7.663 1.00 0.00 O ATOM 926 CB ILE A 63 -7.298 4.525 -4.906 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.921 5.814 -4.366 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.783 4.649 -5.078 1.00 0.00 C ATOM 929 CD1 ILE A 63 -7.872 6.927 -5.414 1.00 0.00 C ATOM 0 H ILE A 63 -9.739 4.056 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.673 4.847 -6.952 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.475 3.746 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.955 5.628 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.390 6.131 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.333 4.952 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.372 3.687 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.563 5.396 -5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.321 7.832 -5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.835 7.127 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.425 6.617 -6.301 1.00 0.00 H new ATOM 941 N PHE A 64 -8.006 1.692 -6.118 1.00 0.00 N ATOM 942 CA PHE A 64 -7.643 0.340 -6.508 1.00 0.00 C ATOM 943 C PHE A 64 -7.767 0.153 -8.021 1.00 0.00 C ATOM 944 O PHE A 64 -6.969 -0.556 -8.630 1.00 0.00 O ATOM 945 CB PHE A 64 -8.621 -0.606 -5.808 1.00 0.00 C ATOM 946 CG PHE A 64 -8.774 -1.964 -6.496 1.00 0.00 C ATOM 947 CD1 PHE A 64 -7.766 -2.874 -6.436 1.00 0.00 C ATOM 948 CD2 PHE A 64 -9.919 -2.261 -7.168 1.00 0.00 C ATOM 949 CE1 PHE A 64 -7.908 -4.134 -7.074 1.00 0.00 C ATOM 950 CE2 PHE A 64 -10.061 -3.520 -7.806 1.00 0.00 C ATOM 951 CZ PHE A 64 -9.052 -4.430 -7.747 1.00 0.00 C ATOM 0 H PHE A 64 -8.674 1.749 -5.349 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.609 0.138 -6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.286 -0.765 -4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.598 -0.126 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.857 -2.638 -5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.720 -1.538 -7.216 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.108 -4.857 -7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.970 -3.756 -8.339 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.159 -5.388 -8.235 1.00 0.00 H new ATOM 961 N GLU A 65 -8.774 0.805 -8.585 1.00 0.00 N ATOM 962 CA GLU A 65 -9.013 0.720 -10.016 1.00 0.00 C ATOM 963 C GLU A 65 -7.998 1.578 -10.775 1.00 0.00 C ATOM 964 O GLU A 65 -7.800 1.396 -11.975 1.00 0.00 O ATOM 965 CB GLU A 65 -10.445 1.134 -10.358 1.00 0.00 C ATOM 966 CG GLU A 65 -11.458 0.340 -9.530 1.00 0.00 C ATOM 967 CD GLU A 65 -12.220 -0.656 -10.405 1.00 0.00 C ATOM 968 OE1 GLU A 65 -12.339 -0.449 -11.622 1.00 0.00 O ATOM 969 OE2 GLU A 65 -12.698 -1.678 -9.779 1.00 0.00 O ATOM 0 H GLU A 65 -9.433 1.394 -8.077 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.886 -0.318 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.573 2.200 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.631 0.971 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.942 -0.193 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.161 1.024 -9.055 1.00 0.00 H new ATOM 977 N LYS A 66 -7.381 2.495 -10.044 1.00 0.00 N ATOM 978 CA LYS A 66 -6.392 3.381 -10.633 1.00 0.00 C ATOM 979 C LYS A 66 -5.012 2.725 -10.549 1.00 0.00 C ATOM 980 O LYS A 66 -4.034 3.262 -11.067 1.00 0.00 O ATOM 981 CB LYS A 66 -6.457 4.764 -9.982 1.00 0.00 C ATOM 982 CG LYS A 66 -7.800 5.441 -10.264 1.00 0.00 C ATOM 983 CD LYS A 66 -7.601 6.897 -10.693 1.00 0.00 C ATOM 984 CE LYS A 66 -8.923 7.521 -11.141 1.00 0.00 C ATOM 0 H LYS A 66 -7.547 2.643 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.605 3.542 -11.690 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.312 4.670 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.646 5.386 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.329 4.897 -11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.425 5.403 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.186 7.471 -9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.878 6.945 -11.507 1.00 0.00 H new ATOM 998 N LEU A 67 -4.978 1.575 -9.893 1.00 0.00 N ATOM 999 CA LEU A 67 -3.734 0.841 -9.734 1.00 0.00 C ATOM 1000 C LEU A 67 -3.476 0.007 -10.989 1.00 0.00 C ATOM 1001 O LEU A 67 -4.333 -0.082 -11.867 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.758 0.020 -8.443 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.755 0.820 -7.139 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -4.189 -0.053 -5.960 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.393 1.473 -6.898 1.00 0.00 C ATOM 0 H LEU A 67 -5.792 1.133 -9.465 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.895 1.529 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.645 -0.614 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.893 -0.643 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.485 1.624 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.178 0.540 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.197 -0.429 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.502 -0.893 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.419 2.035 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.626 0.701 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.162 2.148 -7.722 1.00 0.00 H new ATOM 1017 N GLU A 68 -2.292 -0.586 -11.035 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.910 -1.410 -12.169 1.00 0.00 C ATOM 1019 C GLU A 68 -2.263 -2.875 -11.901 1.00 0.00 C ATOM 1020 O GLU A 68 -2.609 -3.239 -10.779 1.00 0.00 O ATOM 1021 CB GLU A 68 -0.421 -1.254 -12.485 1.00 0.00 C ATOM 1022 CG GLU A 68 -0.153 0.058 -13.224 1.00 0.00 C ATOM 1023 CD GLU A 68 -0.157 -0.155 -14.739 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.910 -0.127 -15.372 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -1.319 -0.358 -15.260 1.00 0.00 O ATOM 0 H GLU A 68 -1.584 -0.512 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.469 -1.074 -13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.155 -1.279 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.085 -2.094 -13.093 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.912 0.793 -12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.809 0.465 -12.913 1.00 0.00 H new ATOM 1033 N ALA A 69 -2.162 -3.676 -12.952 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.466 -5.093 -12.846 1.00 0.00 C ATOM 1035 C ALA A 69 -1.261 -5.825 -12.253 1.00 0.00 C ATOM 1036 O ALA A 69 -0.213 -5.222 -12.026 1.00 0.00 O ATOM 1037 CB ALA A 69 -2.858 -5.636 -14.221 1.00 0.00 C ATOM 0 H ALA A 69 -1.874 -3.370 -13.881 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.312 -5.255 -12.178 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.086 -6.699 -14.141 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.736 -5.103 -14.586 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.032 -5.494 -14.918 1.00 0.00 H new ATOM 1043 N ILE A 70 -1.449 -7.115 -12.018 1.00 0.00 N ATOM 1044 CA ILE A 70 -0.390 -7.936 -11.455 1.00 0.00 C ATOM 1045 C ILE A 70 -0.505 -9.358 -12.007 1.00 0.00 C ATOM 1046 O ILE A 70 -1.537 -9.730 -12.564 1.00 0.00 O ATOM 1047 CB ILE A 70 -0.413 -7.867 -9.927 1.00 0.00 C ATOM 1048 CG1 ILE A 70 1.007 -7.833 -9.358 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -1.240 -9.012 -9.338 1.00 0.00 C ATOM 1050 CD1 ILE A 70 1.621 -6.440 -9.498 1.00 0.00 C ATOM 0 H ILE A 70 -2.319 -7.612 -12.207 1.00 0.00 H new ATOM 0 HA ILE A 70 0.586 -7.555 -11.754 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.899 -6.936 -9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.988 -8.122 -8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.628 -8.562 -9.878 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.240 -8.939 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.264 -8.948 -9.706 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.806 -9.966 -9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.630 -6.444 -9.086 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.661 -6.164 -10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.011 -5.717 -8.956 1.00 0.00 H new ATOM 1062 N THR A 71 0.569 -10.115 -11.835 1.00 0.00 N ATOM 1063 CA THR A 71 0.601 -11.488 -12.310 1.00 0.00 C ATOM 1064 C THR A 71 -0.214 -12.392 -11.383 1.00 0.00 C ATOM 1065 O THR A 71 -0.820 -11.918 -10.424 1.00 0.00 O ATOM 1066 CB THR A 71 2.067 -11.910 -12.435 1.00 0.00 C ATOM 1067 OG1 THR A 71 2.642 -11.544 -11.183 1.00 0.00 O ATOM 1068 CG2 THR A 71 2.833 -11.068 -13.458 1.00 0.00 C ATOM 0 H THR A 71 1.423 -9.803 -11.373 1.00 0.00 H new ATOM 0 HA THR A 71 0.136 -11.578 -13.292 1.00 0.00 H new ATOM 0 HB THR A 71 2.119 -12.961 -12.718 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.592 -11.784 -11.177 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.867 -11.408 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.368 -11.175 -14.438 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.810 -10.020 -13.158 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.203 -13.677 -11.703 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.933 -14.652 -10.912 1.00 0.00 C ATOM 1078 C ASP A 72 -0.096 -15.043 -9.692 1.00 0.00 C ATOM 1079 O ASP A 72 -0.640 -15.307 -8.621 1.00 0.00 O ATOM 1080 CB ASP A 72 -1.212 -15.920 -11.720 1.00 0.00 C ATOM 1081 CG ASP A 72 0.000 -16.503 -12.448 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.733 -15.785 -13.146 1.00 0.00 O ATOM 1083 OD2 ASP A 72 0.184 -17.768 -12.276 1.00 0.00 O ATOM 0 H ASP A 72 0.301 -14.066 -12.500 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.879 -14.201 -10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.613 -16.679 -11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.987 -15.701 -12.454 1.00 0.00 H new ATOM 1089 N GLU A 73 1.213 -15.069 -9.897 1.00 0.00 N ATOM 1090 CA GLU A 73 2.129 -15.424 -8.827 1.00 0.00 C ATOM 1091 C GLU A 73 1.840 -14.587 -7.580 1.00 0.00 C ATOM 1092 O GLU A 73 1.658 -15.130 -6.490 1.00 0.00 O ATOM 1093 CB GLU A 73 3.584 -15.257 -9.274 1.00 0.00 C ATOM 1094 CG GLU A 73 4.508 -15.063 -8.070 1.00 0.00 C ATOM 1095 CD GLU A 73 5.977 -15.091 -8.497 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.670 -16.094 -8.267 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.394 -14.023 -9.088 1.00 0.00 O ATOM 0 H GLU A 73 1.660 -14.850 -10.787 1.00 0.00 H new ATOM 0 HA GLU A 73 1.977 -16.474 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.897 -16.134 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.667 -14.400 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.285 -14.113 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.324 -15.847 -7.336 1.00 0.00 H new ATOM 1105 N GLU A 74 1.806 -13.277 -7.780 1.00 0.00 N ATOM 1106 CA GLU A 74 1.541 -12.359 -6.684 1.00 0.00 C ATOM 1107 C GLU A 74 0.106 -12.530 -6.184 1.00 0.00 C ATOM 1108 O GLU A 74 -0.140 -12.525 -4.978 1.00 0.00 O ATOM 1109 CB GLU A 74 1.806 -10.913 -7.105 1.00 0.00 C ATOM 1110 CG GLU A 74 1.895 -9.995 -5.885 1.00 0.00 C ATOM 1111 CD GLU A 74 0.931 -8.814 -6.016 1.00 0.00 C ATOM 1112 OE1 GLU A 74 1.361 -7.653 -5.954 1.00 0.00 O ATOM 1113 OE2 GLU A 74 -0.306 -9.137 -6.190 1.00 0.00 O ATOM 0 H GLU A 74 1.957 -12.830 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 74 2.221 -12.595 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.735 -10.860 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.009 -10.571 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.663 -10.560 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.915 -9.626 -5.777 1.00 0.00 H new ATOM 1121 N ASN A 75 -0.805 -12.677 -7.134 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.210 -12.850 -6.806 1.00 0.00 C ATOM 1123 C ASN A 75 -2.348 -13.925 -5.726 1.00 0.00 C ATOM 1124 O ASN A 75 -3.257 -13.867 -4.899 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.012 -13.301 -8.028 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.422 -13.738 -7.628 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -4.634 -14.797 -7.059 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -5.372 -12.867 -7.957 1.00 0.00 N ATOM 0 H ASN A 75 -0.597 -12.680 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.595 -11.891 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.071 -12.486 -8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.498 -14.126 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.347 -13.067 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.126 -11.999 -8.432 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.432 -14.882 -5.769 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.441 -15.969 -4.805 1.00 0.00 C ATOM 1137 C ASP A 76 -0.940 -15.453 -3.455 1.00 0.00 C ATOM 1138 O ASP A 76 -1.491 -15.798 -2.410 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.517 -17.106 -5.248 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.228 -18.158 -4.176 1.00 0.00 C ATOM 1141 OD1 ASP A 76 0.418 -17.872 -3.157 1.00 0.00 O ATOM 1142 OD2 ASP A 76 -0.700 -19.333 -4.424 1.00 0.00 O ATOM 0 H ASP A 76 -0.679 -14.927 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.462 -16.342 -4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.963 -17.601 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.429 -16.677 -5.580 1.00 0.00 H new ATOM 1148 N MET A 77 0.098 -14.632 -3.519 1.00 0.00 N ATOM 1149 CA MET A 77 0.680 -14.063 -2.315 1.00 0.00 C ATOM 1150 C MET A 77 -0.307 -13.121 -1.623 1.00 0.00 C ATOM 1151 O MET A 77 -0.197 -12.874 -0.423 1.00 0.00 O ATOM 1152 CB MET A 77 1.953 -13.297 -2.676 1.00 0.00 C ATOM 1153 CG MET A 77 3.059 -13.557 -1.652 1.00 0.00 C ATOM 1154 SD MET A 77 3.509 -15.285 -1.665 1.00 0.00 S ATOM 1155 CE MET A 77 3.726 -15.534 -3.420 1.00 0.00 C ATOM 0 H MET A 77 0.552 -14.347 -4.387 1.00 0.00 H new ATOM 0 HA MET A 77 0.919 -14.876 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.293 -13.596 -3.667 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.739 -12.229 -2.722 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.930 -12.944 -1.882 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.720 -13.268 -0.657 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.570 -16.202 -3.591 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.822 -15.977 -3.839 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.918 -14.576 -3.902 1.00 0.00 H new ATOM 1165 N LEU A 78 -1.247 -12.619 -2.410 1.00 0.00 N ATOM 1166 CA LEU A 78 -2.252 -11.708 -1.886 1.00 0.00 C ATOM 1167 C LEU A 78 -3.498 -12.503 -1.492 1.00 0.00 C ATOM 1168 O LEU A 78 -4.358 -11.999 -0.771 1.00 0.00 O ATOM 1169 CB LEU A 78 -2.529 -10.586 -2.887 1.00 0.00 C ATOM 1170 CG LEU A 78 -4.003 -10.264 -3.143 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -4.171 -8.831 -3.655 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -4.633 -11.287 -4.089 1.00 0.00 C ATOM 0 H LEU A 78 -1.334 -12.825 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.889 -11.217 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.036 -9.681 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.065 -10.851 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.536 -10.332 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.228 -8.628 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.785 -8.132 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.620 -8.711 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.680 -11.034 -4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.103 -11.276 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.565 -12.281 -3.647 1.00 0.00 H new ATOM 1184 N ASP A 79 -3.557 -13.732 -1.983 1.00 0.00 N ATOM 1185 CA ASP A 79 -4.685 -14.601 -1.691 1.00 0.00 C ATOM 1186 C ASP A 79 -4.742 -14.867 -0.186 1.00 0.00 C ATOM 1187 O ASP A 79 -5.782 -14.678 0.442 1.00 0.00 O ATOM 1188 CB ASP A 79 -4.542 -15.948 -2.405 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.254 -17.138 -1.486 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -5.049 -17.460 -0.592 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -3.145 -17.753 -1.722 1.00 0.00 O ATOM 0 H ASP A 79 -2.842 -14.147 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.592 -14.104 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.460 -16.149 -2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.739 -15.871 -3.138 1.00 0.00 H new ATOM 1197 N LEU A 80 -3.610 -15.302 0.349 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.518 -15.596 1.769 1.00 0.00 C ATOM 1199 C LEU A 80 -4.123 -14.438 2.565 1.00 0.00 C ATOM 1200 O LEU A 80 -4.636 -14.637 3.665 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.074 -15.920 2.157 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.767 -17.395 2.421 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -1.271 -18.088 1.150 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -0.779 -17.550 3.580 1.00 0.00 C ATOM 0 H LEU A 80 -2.749 -15.458 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.096 -16.487 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.417 -15.569 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.822 -15.351 3.052 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.692 -17.889 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.060 -19.135 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.037 -18.024 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.362 -17.599 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.577 -18.608 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.152 -17.038 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.207 -17.115 4.483 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.043 -13.253 1.979 1.00 0.00 N ATOM 1217 CA ALA A 81 -4.576 -12.062 2.620 1.00 0.00 C ATOM 1218 C ALA A 81 -5.907 -12.404 3.293 1.00 0.00 C ATOM 1219 O ALA A 81 -6.597 -13.332 2.876 1.00 0.00 O ATOM 1220 CB ALA A 81 -4.717 -10.944 1.585 1.00 0.00 C ATOM 0 H ALA A 81 -3.617 -13.091 1.066 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.896 -11.706 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.117 -10.051 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.740 -10.719 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.395 -11.264 0.794 1.00 0.00 H new ATOM 1226 N TYR A 82 -6.226 -11.635 4.324 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.461 -11.845 5.060 1.00 0.00 C ATOM 1228 C TYR A 82 -8.593 -10.988 4.486 1.00 0.00 C ATOM 1229 O TYR A 82 -8.352 -9.892 3.983 1.00 0.00 O ATOM 1230 CB TYR A 82 -7.178 -11.400 6.496 1.00 0.00 C ATOM 1231 CG TYR A 82 -7.381 -12.500 7.540 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -8.628 -12.706 8.092 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -6.315 -13.286 7.929 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -8.818 -13.741 9.074 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -6.505 -14.321 8.912 1.00 0.00 C ATOM 1236 CZ TYR A 82 -7.747 -14.498 9.436 1.00 0.00 C ATOM 1237 OH TYR A 82 -7.927 -15.475 10.363 1.00 0.00 O ATOM 0 H TYR A 82 -5.651 -10.866 4.667 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.771 -12.888 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.151 -11.039 6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.827 -10.558 6.739 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.462 -12.091 7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.339 -13.125 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.789 -13.913 9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.680 -14.943 9.226 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.077 -15.935 10.523 1.00 0.00 H new ATOM 1247 N GLY A 83 -9.801 -11.520 4.583 1.00 0.00 N ATOM 1248 CA GLY A 83 -10.971 -10.819 4.082 1.00 0.00 C ATOM 1249 C GLY A 83 -10.653 -10.091 2.773 1.00 0.00 C ATOM 1250 O GLY A 83 -10.953 -8.906 2.629 1.00 0.00 O ATOM 0 H GLY A 83 -9.996 -12.430 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.783 -11.528 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.317 -10.102 4.827 1.00 0.00 H new ATOM 1254 N LEU A 84 -10.052 -10.830 1.853 1.00 0.00 N ATOM 1255 CA LEU A 84 -9.690 -10.270 0.562 1.00 0.00 C ATOM 1256 C LEU A 84 -10.826 -9.374 0.064 1.00 0.00 C ATOM 1257 O LEU A 84 -11.935 -9.849 -0.177 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.309 -11.382 -0.417 1.00 0.00 C ATOM 1259 CG LEU A 84 -7.811 -11.594 -0.641 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -7.556 -12.817 -1.524 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -7.157 -10.332 -1.208 1.00 0.00 C ATOM 0 H LEU A 84 -9.806 -11.812 1.976 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.804 -9.642 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.738 -12.317 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.773 -11.166 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.346 -11.792 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.483 -12.945 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.966 -13.705 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.037 -12.674 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.092 -10.510 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.620 -10.079 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.292 -9.507 -0.509 1.00 0.00 H new ATOM 1273 N THR A 85 -10.511 -8.095 -0.075 1.00 0.00 N ATOM 1274 CA THR A 85 -11.491 -7.129 -0.541 1.00 0.00 C ATOM 1275 C THR A 85 -11.460 -7.030 -2.067 1.00 0.00 C ATOM 1276 O THR A 85 -10.502 -7.469 -2.702 1.00 0.00 O ATOM 1277 CB THR A 85 -11.212 -5.797 0.160 1.00 0.00 C ATOM 1278 OG1 THR A 85 -10.167 -5.211 -0.612 1.00 0.00 O ATOM 1279 CG2 THR A 85 -10.593 -5.983 1.546 1.00 0.00 C ATOM 0 H THR A 85 -9.590 -7.705 0.127 1.00 0.00 H new ATOM 0 HA THR A 85 -12.504 -7.441 -0.288 1.00 0.00 H new ATOM 0 HB THR A 85 -12.140 -5.233 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.362 -4.262 -0.759 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.415 -5.008 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.274 -6.557 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.648 -6.518 1.454 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.520 -6.451 -2.612 1.00 0.00 N ATOM 1288 CA ASP A 86 -12.626 -6.289 -4.053 1.00 0.00 C ATOM 1289 C ASP A 86 -11.637 -5.217 -4.515 1.00 0.00 C ATOM 1290 O ASP A 86 -11.310 -5.138 -5.699 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.032 -5.840 -4.454 1.00 0.00 C ATOM 1292 CG ASP A 86 -14.152 -5.280 -5.872 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.335 -6.031 -6.842 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -14.049 -3.997 -5.963 1.00 0.00 O ATOM 0 H ASP A 86 -13.313 -6.088 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.408 -7.250 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.710 -6.688 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.369 -5.080 -3.750 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.189 -4.419 -3.558 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.243 -3.355 -3.852 1.00 0.00 C ATOM 1302 C ARG A 87 -8.969 -3.532 -3.024 1.00 0.00 C ATOM 1303 O ARG A 87 -8.317 -2.552 -2.665 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.850 -1.982 -3.556 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.980 -1.754 -2.050 1.00 0.00 C ATOM 1306 CD ARG A 87 -12.074 -0.729 -1.743 1.00 0.00 C ATOM 1307 NE ARG A 87 -13.098 -1.330 -0.859 1.00 0.00 N ATOM 1308 CZ ARG A 87 -14.166 -2.026 -1.303 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -14.360 -2.215 -2.626 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -15.018 -2.520 -0.424 1.00 0.00 N ATOM 0 H ARG A 87 -11.463 -4.487 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.000 -3.411 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.226 -1.203 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.831 -1.905 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.211 -2.697 -1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.028 -1.407 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.638 0.148 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.536 -0.390 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.990 -1.211 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.697 -1.831 -3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.170 -2.742 -2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.864 -2.373 0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.830 -3.048 -0.742 1.00 0.00 H new ATOM 1323 N SER A 88 -8.653 -4.787 -2.744 1.00 0.00 N ATOM 1324 CA SER A 88 -7.468 -5.105 -1.965 1.00 0.00 C ATOM 1325 C SER A 88 -6.241 -5.159 -2.875 1.00 0.00 C ATOM 1326 O SER A 88 -6.370 -5.130 -4.098 1.00 0.00 O ATOM 1327 CB SER A 88 -7.638 -6.432 -1.222 1.00 0.00 C ATOM 1328 OG SER A 88 -6.387 -6.974 -0.805 1.00 0.00 O ATOM 0 H SER A 88 -9.197 -5.597 -3.043 1.00 0.00 H new ATOM 0 HA SER A 88 -7.326 -4.319 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.276 -6.281 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.146 -7.147 -1.869 1.00 0.00 H new ATOM 0 HG SER A 88 -6.513 -7.494 0.016 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.078 -5.238 -2.245 1.00 0.00 N ATOM 1335 CA ARG A 89 -3.828 -5.295 -2.984 1.00 0.00 C ATOM 1336 C ARG A 89 -2.654 -5.499 -2.024 1.00 0.00 C ATOM 1337 O ARG A 89 -2.739 -5.143 -0.849 1.00 0.00 O ATOM 1338 CB ARG A 89 -3.605 -4.014 -3.789 1.00 0.00 C ATOM 1339 CG ARG A 89 -3.352 -4.331 -5.265 1.00 0.00 C ATOM 1340 CD ARG A 89 -2.426 -3.292 -5.898 1.00 0.00 C ATOM 1341 NE ARG A 89 -1.658 -3.904 -7.005 1.00 0.00 N ATOM 1342 CZ ARG A 89 -2.183 -4.208 -8.212 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -3.483 -3.957 -8.477 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -1.405 -4.754 -9.128 1.00 0.00 N ATOM 0 H ARG A 89 -4.975 -5.264 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.888 -6.137 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.476 -3.366 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.756 -3.466 -3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.909 -5.322 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.300 -4.355 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.011 -2.452 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.743 -2.896 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.671 -4.109 -6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.077 -3.535 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.871 -4.190 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.424 -4.940 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.785 -4.990 -10.045 1.00 0.00 H new ATOM 1357 N LEU A 90 -1.586 -6.070 -2.560 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.396 -6.326 -1.766 1.00 0.00 C ATOM 1359 C LEU A 90 0.125 -5.004 -1.197 1.00 0.00 C ATOM 1360 O LEU A 90 -0.530 -4.384 -0.360 1.00 0.00 O ATOM 1361 CB LEU A 90 0.642 -7.092 -2.588 1.00 0.00 C ATOM 1362 CG LEU A 90 1.947 -7.436 -1.868 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.939 -8.885 -1.377 1.00 0.00 C ATOM 1364 CD2 LEU A 90 3.159 -7.138 -2.754 1.00 0.00 C ATOM 0 H LEU A 90 -1.519 -6.363 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.634 -6.968 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.188 -8.019 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.883 -6.502 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 90 2.027 -6.799 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.879 -9.102 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.110 -9.030 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.823 -9.557 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.073 -7.392 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.097 -7.731 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.171 -6.079 -3.010 1.00 0.00 H new ATOM 1376 N GLY A 91 1.297 -4.612 -1.672 1.00 0.00 N ATOM 1377 CA GLY A 91 1.913 -3.376 -1.222 1.00 0.00 C ATOM 1378 C GLY A 91 3.299 -3.195 -1.844 1.00 0.00 C ATOM 1379 O GLY A 91 3.588 -2.152 -2.429 1.00 0.00 O ATOM 0 H GLY A 91 1.837 -5.129 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.278 -2.531 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.996 -3.382 -0.135 1.00 0.00 H new ATOM 1383 N CYS A 92 4.118 -4.225 -1.697 1.00 0.00 N ATOM 1384 CA CYS A 92 5.467 -4.193 -2.237 1.00 0.00 C ATOM 1385 C CYS A 92 5.414 -4.678 -3.687 1.00 0.00 C ATOM 1386 O CYS A 92 5.858 -5.785 -3.991 1.00 0.00 O ATOM 1387 CB CYS A 92 6.435 -5.022 -1.392 1.00 0.00 C ATOM 1388 SG CYS A 92 7.764 -3.951 -0.731 1.00 0.00 S ATOM 0 H CYS A 92 3.874 -5.088 -1.211 1.00 0.00 H new ATOM 0 HA CYS A 92 5.849 -3.172 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.898 -5.498 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.866 -5.820 -1.996 1.00 0.00 H new ATOM 0 HG CYS A 92 8.667 -4.686 -0.154 1.00 0.00 H new ATOM 1394 N GLN A 93 4.870 -3.827 -4.543 1.00 0.00 N ATOM 1395 CA GLN A 93 4.754 -4.156 -5.954 1.00 0.00 C ATOM 1396 C GLN A 93 3.814 -3.172 -6.653 1.00 0.00 C ATOM 1397 O GLN A 93 2.875 -3.582 -7.334 1.00 0.00 O ATOM 1398 CB GLN A 93 4.280 -5.598 -6.144 1.00 0.00 C ATOM 1399 CG GLN A 93 5.436 -6.504 -6.570 1.00 0.00 C ATOM 1400 CD GLN A 93 5.222 -7.936 -6.074 1.00 0.00 C ATOM 1401 OE1 GLN A 93 4.726 -8.798 -6.781 1.00 0.00 O ATOM 1402 NE2 GLN A 93 5.621 -8.139 -4.822 1.00 0.00 N ATOM 0 H GLN A 93 4.504 -2.910 -4.287 1.00 0.00 H new ATOM 0 HA GLN A 93 5.741 -4.071 -6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.847 -5.968 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.492 -5.629 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.524 -6.501 -7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.373 -6.114 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.028 -7.373 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.520 -9.061 -4.398 1.00 0.00 H new ATOM 1411 N ILE A 94 4.098 -1.892 -6.460 1.00 0.00 N ATOM 1412 CA ILE A 94 3.289 -0.847 -7.064 1.00 0.00 C ATOM 1413 C ILE A 94 3.935 0.513 -6.791 1.00 0.00 C ATOM 1414 O ILE A 94 4.160 0.877 -5.638 1.00 0.00 O ATOM 1415 CB ILE A 94 1.840 -0.947 -6.583 1.00 0.00 C ATOM 1416 CG1 ILE A 94 0.868 -0.488 -7.673 1.00 0.00 C ATOM 1417 CG2 ILE A 94 1.641 -0.177 -5.277 1.00 0.00 C ATOM 1418 CD1 ILE A 94 0.865 1.037 -7.798 1.00 0.00 C ATOM 0 H ILE A 94 4.877 -1.555 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 94 3.251 -0.971 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 94 1.621 -1.994 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.149 -0.934 -8.627 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.137 -0.839 -7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.603 -0.265 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.293 -0.590 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.885 0.874 -5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.166 1.337 -8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.560 1.479 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.866 1.383 -8.055 1.00 0.00 H new ATOM 1430 N CYS A 95 4.215 1.227 -7.872 1.00 0.00 N ATOM 1431 CA CYS A 95 4.831 2.539 -7.764 1.00 0.00 C ATOM 1432 C CYS A 95 3.724 3.572 -7.545 1.00 0.00 C ATOM 1433 O CYS A 95 2.634 3.448 -8.102 1.00 0.00 O ATOM 1434 CB CYS A 95 5.684 2.866 -8.991 1.00 0.00 C ATOM 1435 SG CYS A 95 4.681 2.698 -10.513 1.00 0.00 S ATOM 0 H CYS A 95 4.027 0.922 -8.827 1.00 0.00 H new ATOM 0 HA CYS A 95 5.514 2.555 -6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.074 3.881 -8.913 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.543 2.197 -9.036 1.00 0.00 H new ATOM 0 HG CYS A 95 3.428 2.896 -10.231 1.00 0.00 H new ATOM 1441 N LEU A 96 4.041 4.569 -6.732 1.00 0.00 N ATOM 1442 CA LEU A 96 3.087 5.623 -6.433 1.00 0.00 C ATOM 1443 C LEU A 96 2.870 6.478 -7.684 1.00 0.00 C ATOM 1444 O LEU A 96 3.664 6.426 -8.621 1.00 0.00 O ATOM 1445 CB LEU A 96 3.540 6.425 -5.211 1.00 0.00 C ATOM 1446 CG LEU A 96 3.378 5.732 -3.857 1.00 0.00 C ATOM 1447 CD1 LEU A 96 3.475 6.739 -2.710 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.078 4.927 -3.805 1.00 0.00 C ATOM 0 H LEU A 96 4.945 4.669 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 96 2.120 5.197 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.591 6.685 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.981 7.360 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 96 4.199 5.026 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.356 6.220 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.448 7.229 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.689 7.487 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.988 4.444 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.230 5.595 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.089 4.168 -4.587 1.00 0.00 H new ATOM 1460 N THR A 97 1.791 7.246 -7.656 1.00 0.00 N ATOM 1461 CA THR A 97 1.460 8.112 -8.775 1.00 0.00 C ATOM 1462 C THR A 97 0.719 9.357 -8.285 1.00 0.00 C ATOM 1463 O THR A 97 0.492 9.519 -7.087 1.00 0.00 O ATOM 1464 CB THR A 97 0.661 7.288 -9.789 1.00 0.00 C ATOM 1465 OG1 THR A 97 -0.343 6.651 -9.004 1.00 0.00 O ATOM 1466 CG2 THR A 97 1.471 6.129 -10.370 1.00 0.00 C ATOM 0 H THR A 97 1.135 7.287 -6.876 1.00 0.00 H new ATOM 0 HA THR A 97 2.358 8.481 -9.269 1.00 0.00 H new ATOM 0 HB THR A 97 0.324 7.936 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.908 6.097 -9.582 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.858 5.578 -11.083 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.353 6.520 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.780 5.462 -9.565 1.00 0.00 H new ATOM 1474 N LYS A 98 0.361 10.206 -9.237 1.00 0.00 N ATOM 1475 CA LYS A 98 -0.349 11.433 -8.918 1.00 0.00 C ATOM 1476 C LYS A 98 -1.800 11.100 -8.566 1.00 0.00 C ATOM 1477 O LYS A 98 -2.442 11.828 -7.810 1.00 0.00 O ATOM 1478 CB LYS A 98 -0.209 12.446 -10.057 1.00 0.00 C ATOM 1479 CG LYS A 98 1.081 13.256 -9.915 1.00 0.00 C ATOM 1480 CD LYS A 98 0.803 14.756 -10.034 1.00 0.00 C ATOM 1481 CE LYS A 98 1.969 15.576 -9.480 1.00 0.00 C ATOM 0 H LYS A 98 0.549 10.068 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 98 0.091 11.911 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.212 11.925 -11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.067 13.119 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.544 13.044 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.792 12.952 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.635 15.016 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.110 15.004 -9.493 1.00 0.00 H new ATOM 1495 N ALA A 99 -2.275 9.999 -9.130 1.00 0.00 N ATOM 1496 CA ALA A 99 -3.638 9.561 -8.886 1.00 0.00 C ATOM 1497 C ALA A 99 -3.743 9.002 -7.465 1.00 0.00 C ATOM 1498 O ALA A 99 -4.830 8.653 -7.010 1.00 0.00 O ATOM 1499 CB ALA A 99 -4.043 8.535 -9.947 1.00 0.00 C ATOM 0 H ALA A 99 -1.739 9.397 -9.756 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.330 10.400 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.066 8.206 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.980 8.990 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.372 7.677 -9.898 1.00 0.00 H new ATOM 1505 N MET A 100 -2.596 8.936 -6.804 1.00 0.00 N ATOM 1506 CA MET A 100 -2.544 8.425 -5.444 1.00 0.00 C ATOM 1507 C MET A 100 -2.472 9.570 -4.432 1.00 0.00 C ATOM 1508 O MET A 100 -3.283 9.639 -3.509 1.00 0.00 O ATOM 1509 CB MET A 100 -1.320 7.522 -5.284 1.00 0.00 C ATOM 1510 CG MET A 100 -1.468 6.245 -6.112 1.00 0.00 C ATOM 1511 SD MET A 100 -2.919 5.346 -5.594 1.00 0.00 S ATOM 1512 CE MET A 100 -3.502 4.759 -7.177 1.00 0.00 C ATOM 0 H MET A 100 -1.696 9.228 -7.185 1.00 0.00 H new ATOM 0 HA MET A 100 -3.453 7.854 -5.254 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.424 8.059 -5.595 1.00 0.00 H new ATOM 0 HB3 MET A 100 -1.188 7.265 -4.233 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.544 6.495 -7.170 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.582 5.621 -5.994 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.006 3.801 -7.047 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.200 5.482 -7.599 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.656 4.635 -7.853 1.00 0.00 H new ATOM 1522 N ASP A 101 -1.494 10.439 -4.638 1.00 0.00 N ATOM 1523 CA ASP A 101 -1.305 11.577 -3.755 1.00 0.00 C ATOM 1524 C ASP A 101 -2.602 11.842 -2.987 1.00 0.00 C ATOM 1525 O ASP A 101 -3.586 12.302 -3.563 1.00 0.00 O ATOM 1526 CB ASP A 101 -0.960 12.839 -4.548 1.00 0.00 C ATOM 1527 CG ASP A 101 -1.102 14.150 -3.772 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -0.178 14.576 -3.063 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -2.234 14.751 -3.921 1.00 0.00 O ATOM 0 H ASP A 101 -0.823 10.378 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.486 11.343 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.066 12.756 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.602 12.884 -5.428 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.560 11.540 -1.698 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.720 11.739 -0.845 1.00 0.00 C ATOM 1537 C ASN A 102 -4.572 10.468 -0.844 1.00 0.00 C ATOM 1538 O ASN A 102 -5.758 10.512 -0.522 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.588 12.889 -1.356 1.00 0.00 C ATOM 1540 CG ASN A 102 -5.351 13.552 -0.207 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -5.239 13.173 0.947 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -6.133 14.560 -0.588 1.00 0.00 N ATOM 0 H ASN A 102 -1.741 11.159 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.364 11.974 0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.962 13.628 -1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.294 12.515 -2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.685 15.067 0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.180 14.825 -1.572 1.00 0.00 H new ATOM 1549 N MET A 103 -3.934 9.366 -1.209 1.00 0.00 N ATOM 1550 CA MET A 103 -4.618 8.084 -1.254 1.00 0.00 C ATOM 1551 C MET A 103 -4.721 7.468 0.142 1.00 0.00 C ATOM 1552 O MET A 103 -3.850 7.681 0.984 1.00 0.00 O ATOM 1553 CB MET A 103 -3.857 7.132 -2.179 1.00 0.00 C ATOM 1554 CG MET A 103 -2.508 6.740 -1.573 1.00 0.00 C ATOM 1555 SD MET A 103 -2.316 4.966 -1.607 1.00 0.00 S ATOM 1556 CE MET A 103 -0.780 4.838 -2.506 1.00 0.00 C ATOM 0 H MET A 103 -2.950 9.334 -1.477 1.00 0.00 H new ATOM 0 HA MET A 103 -5.627 8.244 -1.634 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.454 6.237 -2.356 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.700 7.608 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.699 7.212 -2.130 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.442 7.102 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.410 3.814 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.945 5.108 -3.549 1.00 0.00 H new ATOM 0 HE3 MET A 103 -0.045 5.513 -2.068 1.00 0.00 H new ATOM 1566 N THR A 104 -5.793 6.716 0.344 1.00 0.00 N ATOM 1567 CA THR A 104 -6.020 6.066 1.624 1.00 0.00 C ATOM 1568 C THR A 104 -5.992 4.545 1.463 1.00 0.00 C ATOM 1569 O THR A 104 -6.614 4.002 0.551 1.00 0.00 O ATOM 1570 CB THR A 104 -7.340 6.592 2.192 1.00 0.00 C ATOM 1571 OG1 THR A 104 -7.004 7.867 2.730 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.816 5.789 3.405 1.00 0.00 C ATOM 0 H THR A 104 -6.514 6.542 -0.357 1.00 0.00 H new ATOM 0 HA THR A 104 -5.226 6.301 2.333 1.00 0.00 H new ATOM 0 HB THR A 104 -8.105 6.566 1.416 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.047 7.831 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.756 6.203 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.965 4.749 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.066 5.843 4.194 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.262 3.901 2.362 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.143 2.453 2.331 1.00 0.00 C ATOM 1582 C VAL A 105 -5.439 1.892 3.723 1.00 0.00 C ATOM 1583 O VAL A 105 -5.361 2.613 4.717 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.764 2.052 1.806 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.383 2.880 0.577 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.702 2.177 2.901 1.00 0.00 C ATOM 0 H VAL A 105 -4.747 4.355 3.116 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.874 2.024 1.645 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.813 1.006 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.398 2.575 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.117 2.719 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.362 3.937 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.731 1.886 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.657 3.209 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.961 1.525 3.735 1.00 0.00 H new ATOM 1596 N ARG A 106 -5.772 0.609 3.751 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.080 -0.057 5.005 1.00 0.00 C ATOM 1598 C ARG A 106 -5.119 -1.224 5.236 1.00 0.00 C ATOM 1599 O ARG A 106 -4.626 -1.825 4.282 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.518 -0.580 5.012 1.00 0.00 C ATOM 1601 CG ARG A 106 -7.908 -1.090 6.401 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.238 -1.845 6.353 1.00 0.00 C ATOM 1603 NE ARG A 106 -9.375 -2.707 7.550 1.00 0.00 N ATOM 1604 CZ ARG A 106 -10.213 -3.760 7.632 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -10.999 -4.094 6.586 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -10.254 -4.460 8.750 1.00 0.00 N ATOM 0 H ARG A 106 -5.835 0.014 2.925 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.968 0.674 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.199 0.214 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.620 -1.384 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.127 -1.746 6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.987 -0.251 7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.066 -1.137 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.288 -2.453 5.449 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.799 -2.490 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.962 -3.548 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.630 -4.892 6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.657 -4.201 9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.883 -5.260 8.828 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.881 -1.511 6.507 1.00 0.00 N ATOM 1620 CA VAL A 107 -3.987 -2.596 6.875 1.00 0.00 C ATOM 1621 C VAL A 107 -4.800 -3.728 7.508 1.00 0.00 C ATOM 1622 O VAL A 107 -5.113 -3.682 8.697 1.00 0.00 O ATOM 1623 CB VAL A 107 -2.877 -2.073 7.790 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -1.910 -3.194 8.174 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.132 -0.907 7.136 1.00 0.00 C ATOM 0 H VAL A 107 -5.292 -1.011 7.295 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.496 -3.003 5.991 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.342 -1.704 8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.131 -2.796 8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.454 -3.980 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.455 -3.606 7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.349 -0.554 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.685 -1.240 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.831 -0.095 6.935 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.125 -4.743 6.665 1.00 0.00 N ATOM 1636 CA PRO A 108 -5.894 -5.885 7.130 1.00 0.00 C ATOM 1637 C PRO A 108 -5.030 -6.820 7.978 1.00 0.00 C ATOM 1638 O PRO A 108 -5.340 -7.073 9.141 1.00 0.00 O ATOM 1639 CB PRO A 108 -6.421 -6.545 5.866 1.00 0.00 C ATOM 1640 CG PRO A 108 -5.551 -6.029 4.732 1.00 0.00 C ATOM 1641 CD PRO A 108 -4.770 -4.831 5.252 1.00 0.00 C ATOM 0 HA PRO A 108 -6.716 -5.600 7.787 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.363 -7.631 5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -7.468 -6.292 5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.871 -6.808 4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.166 -5.743 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.697 -4.971 5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.040 -3.920 4.718 1.00 0.00 H new