USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 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 28 LYS NZ :NH3+ -133:sc= 0.192 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= 0.343 K(o=0.54,f=-0.11) USER MOD Single : A 9 THR OG1 : rot 39:sc= 0.285 USER MOD Single : A 10 MET CE :methyl -121:sc= -13.8! (180deg=-19.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00786 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -8.18! C(o=-8.2!,f=-7.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 42 TYR OH : rot -98:sc= -0.179 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.521 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 11:sc= 1.1 USER MOD Single : A 62 GLN :FLIP amide:sc= -3.82 F(o=-11!,f=-3.8) USER MOD Single : A 64 SER OG : rot 49:sc= 0.946 USER MOD Single : A 67 ASN : amide:sc= -0.585 X(o=-0.59,f=-0.13) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0249 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.367 9.824 4.149 1.00 22.14 N ATOM 73 CA GLU A 7 4.821 9.280 2.874 1.00 70.44 C ATOM 74 C GLU A 7 5.140 7.793 3.000 1.00 24.12 C ATOM 75 O GLU A 7 6.185 7.412 3.525 1.00 52.14 O ATOM 76 CB GLU A 7 6.057 10.038 2.383 1.00 32.52 C ATOM 77 CG GLU A 7 5.732 11.362 1.714 1.00 51.33 C ATOM 78 CD GLU A 7 6.423 11.524 0.373 1.00 73.12 C ATOM 79 OE1 GLU A 7 6.783 10.495 -0.237 1.00 44.51 O ATOM 80 OE2 GLU A 7 6.603 12.679 -0.065 1.00 23.14 O ATOM 0 HA GLU A 7 4.017 9.401 2.149 1.00 70.44 H new ATOM 0 HB2 GLU A 7 6.720 10.221 3.228 1.00 32.52 H new ATOM 0 HB3 GLU A 7 6.603 9.409 1.680 1.00 32.52 H new ATOM 0 HG2 GLU A 7 4.654 11.439 1.574 1.00 51.33 H new ATOM 0 HG3 GLU A 7 6.028 12.179 2.372 1.00 51.33 H new ATOM 85 N VAL A 8 4.229 6.956 2.512 1.00 4.11 N ATOM 86 CA VAL A 8 4.411 5.510 2.569 1.00 14.23 C ATOM 87 C VAL A 8 4.986 4.977 1.261 1.00 3.01 C ATOM 88 O VAL A 8 4.502 5.307 0.178 1.00 35.54 O ATOM 89 CB VAL A 8 3.083 4.788 2.866 1.00 13.54 C ATOM 90 CG1 VAL A 8 2.171 4.824 1.649 1.00 15.32 C ATOM 91 CG2 VAL A 8 3.343 3.355 3.304 1.00 42.12 C ATOM 0 H VAL A 8 3.358 7.254 2.073 1.00 4.11 H new ATOM 0 HA VAL A 8 5.113 5.311 3.379 1.00 14.23 H new ATOM 0 HB VAL A 8 2.581 5.309 3.682 1.00 13.54 H new ATOM 0 HG11 VAL A 8 1.238 4.309 1.878 1.00 15.32 H new ATOM 0 HG12 VAL A 8 1.958 5.860 1.384 1.00 15.32 H new ATOM 0 HG13 VAL A 8 2.662 4.329 0.811 1.00 15.32 H new ATOM 0 HG21 VAL A 8 2.394 2.860 3.510 1.00 42.12 H new ATOM 0 HG22 VAL A 8 3.866 2.821 2.511 1.00 42.12 H new ATOM 0 HG23 VAL A 8 3.955 3.356 4.206 1.00 42.12 H new ATOM 101 N THR A 9 6.021 4.151 1.369 1.00 71.11 N ATOM 102 CA THR A 9 6.663 3.572 0.196 1.00 13.14 C ATOM 103 C THR A 9 6.737 2.053 0.303 1.00 30.05 C ATOM 104 O THR A 9 7.339 1.516 1.231 1.00 32.34 O ATOM 105 CB THR A 9 8.085 4.131 0.000 1.00 52.54 C ATOM 106 OG1 THR A 9 8.838 3.991 1.211 1.00 11.23 O ATOM 107 CG2 THR A 9 8.039 5.596 -0.408 1.00 73.25 C ATOM 0 H THR A 9 6.433 3.868 2.258 1.00 71.11 H new ATOM 0 HA THR A 9 6.052 3.844 -0.665 1.00 13.14 H new ATOM 0 HB THR A 9 8.568 3.564 -0.795 1.00 52.54 H new ATOM 0 HG1 THR A 9 8.624 3.132 1.632 1.00 11.23 H new ATOM 0 HG21 THR A 9 9.055 5.969 -0.541 1.00 73.25 H new ATOM 0 HG22 THR A 9 7.491 5.696 -1.345 1.00 73.25 H new ATOM 0 HG23 THR A 9 7.539 6.174 0.369 1.00 73.25 H new ATOM 115 N MET A 10 6.121 1.367 -0.655 1.00 44.31 N ATOM 116 CA MET A 10 6.118 -0.091 -0.669 1.00 51.44 C ATOM 117 C MET A 10 7.370 -0.630 -1.355 1.00 43.32 C ATOM 118 O MET A 10 7.857 -0.050 -2.325 1.00 32.13 O ATOM 119 CB MET A 10 4.869 -0.614 -1.379 1.00 4.31 C ATOM 120 CG MET A 10 3.626 -0.608 -0.504 1.00 21.24 C ATOM 121 SD MET A 10 3.586 0.787 0.638 1.00 23.34 S ATOM 122 CE MET A 10 3.548 2.162 -0.510 1.00 44.33 C ATOM 0 H MET A 10 5.618 1.797 -1.431 1.00 44.31 H new ATOM 0 HA MET A 10 6.112 -0.439 0.364 1.00 51.44 H new ATOM 0 HB2 MET A 10 4.683 -0.006 -2.265 1.00 4.31 H new ATOM 0 HB3 MET A 10 5.056 -1.631 -1.724 1.00 4.31 H new ATOM 0 HG2 MET A 10 2.740 -0.578 -1.138 1.00 21.24 H new ATOM 0 HG3 MET A 10 3.581 -1.538 0.063 1.00 21.24 H new ATOM 0 HE1 MET A 10 4.411 2.805 -0.336 1.00 44.33 H new ATOM 0 HE2 MET A 10 3.577 1.784 -1.532 1.00 44.33 H new ATOM 0 HE3 MET A 10 2.633 2.735 -0.361 1.00 44.33 H new ATOM 130 N LYS A 11 7.887 -1.742 -0.843 1.00 24.45 N ATOM 131 CA LYS A 11 9.081 -2.361 -1.407 1.00 70.14 C ATOM 132 C LYS A 11 8.836 -3.834 -1.716 1.00 32.31 C ATOM 133 O LYS A 11 8.199 -4.546 -0.939 1.00 50.45 O ATOM 134 CB LYS A 11 10.258 -2.221 -0.439 1.00 64.12 C ATOM 135 CG LYS A 11 11.595 -2.605 -1.048 1.00 72.52 C ATOM 136 CD LYS A 11 12.732 -1.791 -0.454 1.00 71.23 C ATOM 137 CE LYS A 11 13.191 -0.696 -1.406 1.00 64.21 C ATOM 138 NZ LYS A 11 14.537 -0.983 -1.974 1.00 25.43 N ATOM 0 H LYS A 11 7.498 -2.233 -0.038 1.00 24.45 H new ATOM 0 HA LYS A 11 9.321 -1.848 -2.338 1.00 70.14 H new ATOM 0 HB2 LYS A 11 10.310 -1.190 -0.090 1.00 64.12 H new ATOM 0 HB3 LYS A 11 10.074 -2.845 0.436 1.00 64.12 H new ATOM 0 HG2 LYS A 11 11.780 -3.666 -0.882 1.00 72.52 H new ATOM 0 HG3 LYS A 11 11.562 -2.452 -2.127 1.00 72.52 H new ATOM 0 HD2 LYS A 11 12.409 -1.345 0.487 1.00 71.23 H new ATOM 0 HD3 LYS A 11 13.570 -2.449 -0.223 1.00 71.23 H new ATOM 0 HE2 LYS A 11 12.469 -0.593 -2.216 1.00 64.21 H new ATOM 0 HE3 LYS A 11 13.215 0.257 -0.878 1.00 64.21 H new ATOM 0 HZ1 LYS A 11 14.814 -0.214 -2.617 1.00 25.43 H new ATOM 0 HZ2 LYS A 11 15.231 -1.056 -1.203 1.00 25.43 H new ATOM 0 HZ3 LYS A 11 14.508 -1.880 -2.499 1.00 25.43 H new ATOM 148 N LYS A 12 9.347 -4.288 -2.856 1.00 53.34 N ATOM 149 CA LYS A 12 9.187 -5.677 -3.267 1.00 14.14 C ATOM 150 C LYS A 12 9.659 -6.627 -2.171 1.00 54.20 C ATOM 151 O LYS A 12 10.849 -6.695 -1.864 1.00 2.45 O ATOM 152 CB LYS A 12 9.967 -5.941 -4.557 1.00 73.53 C ATOM 153 CG LYS A 12 9.366 -7.040 -5.418 1.00 70.25 C ATOM 154 CD LYS A 12 9.362 -6.657 -6.887 1.00 21.52 C ATOM 155 CE LYS A 12 8.969 -7.833 -7.768 1.00 24.44 C ATOM 156 NZ LYS A 12 8.820 -7.432 -9.195 1.00 43.12 N ATOM 0 H LYS A 12 9.876 -3.713 -3.512 1.00 53.34 H new ATOM 0 HA LYS A 12 8.127 -5.857 -3.447 1.00 14.14 H new ATOM 0 HB2 LYS A 12 10.014 -5.020 -5.138 1.00 73.53 H new ATOM 0 HB3 LYS A 12 10.992 -6.210 -4.303 1.00 73.53 H new ATOM 0 HG2 LYS A 12 9.933 -7.961 -5.283 1.00 70.25 H new ATOM 0 HG3 LYS A 12 8.346 -7.243 -5.091 1.00 70.25 H new ATOM 0 HD2 LYS A 12 8.667 -5.833 -7.047 1.00 21.52 H new ATOM 0 HD3 LYS A 12 10.351 -6.301 -7.174 1.00 21.52 H new ATOM 0 HE2 LYS A 12 9.724 -8.615 -7.688 1.00 24.44 H new ATOM 0 HE3 LYS A 12 8.031 -8.257 -7.410 1.00 24.44 H new ATOM 0 HZ1 LYS A 12 8.552 -8.261 -9.762 1.00 43.12 H new ATOM 0 HZ2 LYS A 12 8.082 -6.704 -9.276 1.00 43.12 H new ATOM 0 HZ3 LYS A 12 9.722 -7.051 -9.544 1.00 43.12 H new ATOM 166 N GLY A 13 8.718 -7.362 -1.585 1.00 34.22 N ATOM 167 CA GLY A 13 9.059 -8.300 -0.532 1.00 45.54 C ATOM 168 C GLY A 13 8.953 -7.683 0.850 1.00 3.01 C ATOM 169 O GLY A 13 9.789 -7.937 1.717 1.00 10.22 O ATOM 0 H GLY A 13 7.726 -7.324 -1.821 1.00 34.22 H new ATOM 0 HA2 GLY A 13 8.399 -9.165 -0.592 1.00 45.54 H new ATOM 0 HA3 GLY A 13 10.075 -8.663 -0.688 1.00 45.54 H new ATOM 173 N ASP A 14 7.923 -6.870 1.055 1.00 20.04 N ATOM 174 CA ASP A 14 7.710 -6.214 2.340 1.00 45.21 C ATOM 175 C ASP A 14 6.268 -6.388 2.807 1.00 73.22 C ATOM 176 O ASP A 14 5.340 -6.388 1.999 1.00 4.04 O ATOM 177 CB ASP A 14 8.050 -4.726 2.241 1.00 33.12 C ATOM 178 CG ASP A 14 8.765 -4.211 3.474 1.00 74.24 C ATOM 179 OD1 ASP A 14 9.848 -4.743 3.797 1.00 33.03 O ATOM 180 OD2 ASP A 14 8.242 -3.278 4.117 1.00 42.24 O ATOM 0 H ASP A 14 7.222 -6.649 0.348 1.00 20.04 H new ATOM 0 HA ASP A 14 8.369 -6.682 3.071 1.00 45.21 H new ATOM 0 HB2 ASP A 14 8.676 -4.557 1.365 1.00 33.12 H new ATOM 0 HB3 ASP A 14 7.133 -4.156 2.092 1.00 33.12 H new ATOM 184 N ILE A 15 6.090 -6.539 4.115 1.00 44.05 N ATOM 185 CA ILE A 15 4.762 -6.714 4.689 1.00 64.52 C ATOM 186 C ILE A 15 4.236 -5.405 5.269 1.00 64.30 C ATOM 187 O ILE A 15 4.763 -4.896 6.259 1.00 43.24 O ATOM 188 CB ILE A 15 4.762 -7.788 5.794 1.00 11.21 C ATOM 189 CG1 ILE A 15 5.298 -9.113 5.246 1.00 43.11 C ATOM 190 CG2 ILE A 15 3.361 -7.969 6.357 1.00 42.14 C ATOM 191 CD1 ILE A 15 5.682 -10.101 6.325 1.00 3.15 C ATOM 0 H ILE A 15 6.849 -6.544 4.797 1.00 44.05 H new ATOM 0 HA ILE A 15 4.109 -7.038 3.878 1.00 64.52 H new ATOM 0 HB ILE A 15 5.416 -7.459 6.601 1.00 11.21 H new ATOM 0 HG12 ILE A 15 4.541 -9.564 4.604 1.00 43.11 H new ATOM 0 HG13 ILE A 15 6.168 -8.913 4.621 1.00 43.11 H new ATOM 0 HG21 ILE A 15 3.378 -8.731 7.136 1.00 42.14 H new ATOM 0 HG22 ILE A 15 3.014 -7.026 6.779 1.00 42.14 H new ATOM 0 HG23 ILE A 15 2.686 -8.280 5.560 1.00 42.14 H new ATOM 0 HD11 ILE A 15 6.053 -11.017 5.865 1.00 3.15 H new ATOM 0 HD12 ILE A 15 6.461 -9.669 6.953 1.00 3.15 H new ATOM 0 HD13 ILE A 15 4.809 -10.330 6.936 1.00 3.15 H new ATOM 202 N LEU A 16 3.193 -4.865 4.648 1.00 63.24 N ATOM 203 CA LEU A 16 2.594 -3.617 5.104 1.00 4.33 C ATOM 204 C LEU A 16 1.166 -3.843 5.591 1.00 2.22 C ATOM 205 O LEU A 16 0.371 -4.512 4.929 1.00 4.33 O ATOM 206 CB LEU A 16 2.602 -2.583 3.975 1.00 43.33 C ATOM 207 CG LEU A 16 3.733 -2.712 2.955 1.00 11.33 C ATOM 208 CD1 LEU A 16 3.210 -3.283 1.647 1.00 75.22 C ATOM 209 CD2 LEU A 16 4.397 -1.363 2.723 1.00 13.01 C ATOM 0 H LEU A 16 2.745 -5.273 3.827 1.00 63.24 H new ATOM 0 HA LEU A 16 3.187 -3.242 5.938 1.00 4.33 H new ATOM 0 HB2 LEU A 16 1.652 -2.647 3.444 1.00 43.33 H new ATOM 0 HB3 LEU A 16 2.653 -1.589 4.420 1.00 43.33 H new ATOM 0 HG LEU A 16 4.480 -3.399 3.354 1.00 11.33 H new ATOM 0 HD11 LEU A 16 4.030 -3.367 0.933 1.00 75.22 H new ATOM 0 HD12 LEU A 16 2.782 -4.269 1.826 1.00 75.22 H new ATOM 0 HD13 LEU A 16 2.443 -2.622 1.242 1.00 75.22 H new ATOM 0 HD21 LEU A 16 5.200 -1.473 1.994 1.00 13.01 H new ATOM 0 HD22 LEU A 16 3.659 -0.654 2.346 1.00 13.01 H new ATOM 0 HD23 LEU A 16 4.808 -0.993 3.662 1.00 13.01 H new ATOM 220 N THR A 17 0.846 -3.280 6.752 1.00 1.32 N ATOM 221 CA THR A 17 -0.485 -3.419 7.328 1.00 21.55 C ATOM 222 C THR A 17 -1.566 -3.154 6.285 1.00 42.52 C ATOM 223 O THR A 17 -1.515 -2.156 5.563 1.00 51.11 O ATOM 224 CB THR A 17 -0.687 -2.460 8.516 1.00 3.35 C ATOM 225 OG1 THR A 17 0.357 -2.646 9.478 1.00 3.21 O ATOM 226 CG2 THR A 17 -2.038 -2.691 9.175 1.00 0.30 C ATOM 0 H THR A 17 1.491 -2.723 7.312 1.00 1.32 H new ATOM 0 HA THR A 17 -0.570 -4.446 7.682 1.00 21.55 H new ATOM 0 HB THR A 17 -0.655 -1.438 8.139 1.00 3.35 H new ATOM 0 HG1 THR A 17 0.223 -2.032 10.230 1.00 3.21 H new ATOM 0 HG21 THR A 17 -2.157 -2.002 10.011 1.00 0.30 H new ATOM 0 HG22 THR A 17 -2.832 -2.520 8.448 1.00 0.30 H new ATOM 0 HG23 THR A 17 -2.095 -3.717 9.539 1.00 0.30 H new ATOM 234 N LEU A 18 -2.544 -4.049 6.211 1.00 54.14 N ATOM 235 CA LEU A 18 -3.638 -3.912 5.257 1.00 41.20 C ATOM 236 C LEU A 18 -4.591 -2.798 5.679 1.00 41.33 C ATOM 237 O LEU A 18 -5.758 -3.048 5.984 1.00 20.22 O ATOM 238 CB LEU A 18 -4.401 -5.231 5.131 1.00 14.15 C ATOM 239 CG LEU A 18 -5.061 -5.498 3.778 1.00 3.13 C ATOM 240 CD1 LEU A 18 -6.463 -6.055 3.969 1.00 60.10 C ATOM 241 CD2 LEU A 18 -5.099 -4.226 2.944 1.00 32.54 C ATOM 0 H LEU A 18 -2.602 -4.879 6.801 1.00 54.14 H new ATOM 0 HA LEU A 18 -3.212 -3.653 4.288 1.00 41.20 H new ATOM 0 HB2 LEU A 18 -3.712 -6.048 5.344 1.00 14.15 H new ATOM 0 HB3 LEU A 18 -5.173 -5.256 5.900 1.00 14.15 H new ATOM 0 HG LEU A 18 -4.467 -6.241 3.245 1.00 3.13 H new ATOM 0 HD11 LEU A 18 -6.917 -6.239 2.995 1.00 60.10 H new ATOM 0 HD12 LEU A 18 -6.410 -6.990 4.527 1.00 60.10 H new ATOM 0 HD13 LEU A 18 -7.068 -5.336 4.522 1.00 60.10 H new ATOM 0 HD21 LEU A 18 -5.572 -4.434 1.984 1.00 32.54 H new ATOM 0 HD22 LEU A 18 -5.670 -3.462 3.472 1.00 32.54 H new ATOM 0 HD23 LEU A 18 -4.082 -3.869 2.778 1.00 32.54 H new ATOM 252 N LEU A 19 -4.088 -1.569 5.694 1.00 64.14 N ATOM 253 CA LEU A 19 -4.896 -0.416 6.077 1.00 70.54 C ATOM 254 C LEU A 19 -6.209 -0.389 5.302 1.00 61.21 C ATOM 255 O LEU A 19 -6.499 -1.295 4.522 1.00 71.14 O ATOM 256 CB LEU A 19 -4.120 0.879 5.833 1.00 13.41 C ATOM 257 CG LEU A 19 -3.350 1.437 7.031 1.00 20.12 C ATOM 258 CD1 LEU A 19 -2.527 0.343 7.693 1.00 31.10 C ATOM 259 CD2 LEU A 19 -2.458 2.592 6.601 1.00 3.55 C ATOM 0 H LEU A 19 -3.124 -1.345 5.445 1.00 64.14 H new ATOM 0 HA LEU A 19 -5.125 -0.501 7.139 1.00 70.54 H new ATOM 0 HB2 LEU A 19 -3.414 0.708 5.020 1.00 13.41 H new ATOM 0 HB3 LEU A 19 -4.821 1.640 5.491 1.00 13.41 H new ATOM 0 HG LEU A 19 -4.070 1.812 7.758 1.00 20.12 H new ATOM 0 HD11 LEU A 19 -1.986 0.759 8.543 1.00 31.10 H new ATOM 0 HD12 LEU A 19 -3.188 -0.452 8.037 1.00 31.10 H new ATOM 0 HD13 LEU A 19 -1.816 -0.063 6.974 1.00 31.10 H new ATOM 0 HD21 LEU A 19 -1.918 2.976 7.466 1.00 3.55 H new ATOM 0 HD22 LEU A 19 -1.745 2.243 5.854 1.00 3.55 H new ATOM 0 HD23 LEU A 19 -3.071 3.386 6.174 1.00 3.55 H new ATOM 270 N ASN A 20 -6.998 0.657 5.521 1.00 44.14 N ATOM 271 CA ASN A 20 -8.280 0.803 4.842 1.00 1.15 C ATOM 272 C ASN A 20 -8.157 0.442 3.364 1.00 50.13 C ATOM 273 O ASN A 20 -7.714 1.253 2.551 1.00 41.13 O ATOM 274 CB ASN A 20 -8.799 2.235 4.987 1.00 13.04 C ATOM 275 CG ASN A 20 -10.186 2.289 5.597 1.00 33.14 C ATOM 276 OD1 ASN A 20 -11.207 2.217 4.751 1.00 22.04 O flip ATOM 277 ND2 ASN A 20 -10.337 2.395 6.814 1.00 1.24 N flip ATOM 0 H ASN A 20 -6.772 1.416 6.164 1.00 44.14 H new ATOM 0 HA ASN A 20 -8.989 0.118 5.308 1.00 1.15 H new ATOM 0 HB2 ASN A 20 -8.110 2.807 5.608 1.00 13.04 H new ATOM 0 HB3 ASN A 20 -8.817 2.713 4.007 1.00 13.04 H new ATOM 0 HD21 ASN A 20 -9.523 2.447 7.426 1.00 1.24 H new ATOM 0 HD22 ASN A 20 -11.276 2.431 7.210 1.00 1.24 H new ATOM 283 N SER A 21 -8.554 -0.781 3.024 1.00 53.41 N ATOM 284 CA SER A 21 -8.485 -1.251 1.646 1.00 72.12 C ATOM 285 C SER A 21 -9.829 -1.080 0.946 1.00 33.31 C ATOM 286 O SER A 21 -10.127 -1.769 -0.030 1.00 35.14 O ATOM 287 CB SER A 21 -8.059 -2.720 1.606 1.00 53.21 C ATOM 288 OG SER A 21 -8.773 -3.483 2.562 1.00 73.14 O ATOM 0 H SER A 21 -8.927 -1.463 3.684 1.00 53.41 H new ATOM 0 HA SER A 21 -7.742 -0.651 1.120 1.00 72.12 H new ATOM 0 HB2 SER A 21 -8.233 -3.125 0.609 1.00 53.21 H new ATOM 0 HB3 SER A 21 -6.989 -2.797 1.800 1.00 53.21 H new ATOM 0 HG SER A 21 -8.484 -4.418 2.516 1.00 73.14 H new ATOM 293 N THR A 22 -10.640 -0.156 1.452 1.00 62.02 N ATOM 294 CA THR A 22 -11.953 0.106 0.878 1.00 24.34 C ATOM 295 C THR A 22 -11.865 0.303 -0.631 1.00 74.41 C ATOM 296 O THR A 22 -12.579 -0.347 -1.394 1.00 43.40 O ATOM 297 CB THR A 22 -12.605 1.351 1.510 1.00 34.03 C ATOM 298 OG1 THR A 22 -13.791 1.702 0.789 1.00 2.02 O ATOM 299 CG2 THR A 22 -11.639 2.526 1.507 1.00 52.13 C ATOM 0 H THR A 22 -10.410 0.424 2.259 1.00 62.02 H new ATOM 0 HA THR A 22 -12.570 -0.766 1.092 1.00 24.34 H new ATOM 0 HB THR A 22 -12.864 1.115 2.542 1.00 34.03 H new ATOM 0 HG1 THR A 22 -14.200 2.493 1.198 1.00 2.02 H new ATOM 0 HG21 THR A 22 -12.120 3.394 1.958 1.00 52.13 H new ATOM 0 HG22 THR A 22 -10.749 2.267 2.080 1.00 52.13 H new ATOM 0 HG23 THR A 22 -11.355 2.761 0.481 1.00 52.13 H new ATOM 307 N ASN A 23 -10.984 1.203 -1.055 1.00 75.53 N ATOM 308 CA ASN A 23 -10.801 1.483 -2.474 1.00 2.13 C ATOM 309 C ASN A 23 -10.429 0.215 -3.237 1.00 5.10 C ATOM 310 O ASN A 23 -9.394 -0.398 -2.978 1.00 53.14 O ATOM 311 CB ASN A 23 -9.718 2.546 -2.670 1.00 14.40 C ATOM 312 CG ASN A 23 -10.277 3.851 -3.205 1.00 61.30 C ATOM 313 OD1 ASN A 23 -10.769 4.686 -2.446 1.00 73.34 O ATOM 314 ND2 ASN A 23 -10.205 4.031 -4.519 1.00 74.22 N ATOM 0 H ASN A 23 -10.386 1.751 -0.436 1.00 75.53 H new ATOM 0 HA ASN A 23 -11.745 1.858 -2.869 1.00 2.13 H new ATOM 0 HB2 ASN A 23 -9.218 2.731 -1.719 1.00 14.40 H new ATOM 0 HB3 ASN A 23 -8.963 2.168 -3.359 1.00 14.40 H new ATOM 0 HD21 ASN A 23 -10.566 4.889 -4.937 1.00 74.22 H new ATOM 0 HD22 ASN A 23 -9.789 3.312 -5.110 1.00 74.22 H new ATOM 320 N LYS A 24 -11.282 -0.172 -4.181 1.00 55.43 N ATOM 321 CA LYS A 24 -11.043 -1.365 -4.984 1.00 42.23 C ATOM 322 C LYS A 24 -9.863 -1.159 -5.928 1.00 2.22 C ATOM 323 O LYS A 24 -9.184 -2.114 -6.307 1.00 64.01 O ATOM 324 CB LYS A 24 -12.296 -1.724 -5.786 1.00 15.54 C ATOM 325 CG LYS A 24 -12.913 -3.053 -5.390 1.00 54.54 C ATOM 326 CD LYS A 24 -13.268 -3.889 -6.608 1.00 1.32 C ATOM 327 CE LYS A 24 -14.323 -4.934 -6.280 1.00 61.32 C ATOM 328 NZ LYS A 24 -14.121 -6.188 -7.056 1.00 22.51 N ATOM 0 H LYS A 24 -12.144 0.323 -4.408 1.00 55.43 H new ATOM 0 HA LYS A 24 -10.804 -2.186 -4.308 1.00 42.23 H new ATOM 0 HB2 LYS A 24 -13.038 -0.936 -5.656 1.00 15.54 H new ATOM 0 HB3 LYS A 24 -12.043 -1.752 -6.846 1.00 15.54 H new ATOM 0 HG2 LYS A 24 -12.216 -3.605 -4.759 1.00 54.54 H new ATOM 0 HG3 LYS A 24 -13.809 -2.876 -4.795 1.00 54.54 H new ATOM 0 HD2 LYS A 24 -13.634 -3.239 -7.403 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -12.372 -4.381 -6.986 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -14.293 -5.158 -5.214 1.00 61.32 H new ATOM 0 HE3 LYS A 24 -15.313 -4.530 -6.493 1.00 61.32 H new ATOM 0 HZ1 LYS A 24 -14.860 -6.875 -6.804 1.00 22.51 H new ATOM 0 HZ2 LYS A 24 -14.175 -5.979 -8.073 1.00 22.51 H new ATOM 0 HZ3 LYS A 24 -13.187 -6.587 -6.833 1.00 22.51 H new ATOM 338 N ASP A 25 -9.624 0.093 -6.303 1.00 12.03 N ATOM 339 CA ASP A 25 -8.523 0.425 -7.202 1.00 63.43 C ATOM 340 C ASP A 25 -7.305 0.901 -6.416 1.00 2.15 C ATOM 341 O ASP A 25 -6.267 1.218 -6.996 1.00 54.40 O ATOM 342 CB ASP A 25 -8.957 1.501 -8.198 1.00 2.14 C ATOM 343 CG ASP A 25 -10.273 1.168 -8.874 1.00 11.31 C ATOM 344 OD1 ASP A 25 -10.425 0.022 -9.343 1.00 34.54 O ATOM 345 OD2 ASP A 25 -11.151 2.056 -8.934 1.00 74.45 O ATOM 0 H ASP A 25 -10.177 0.894 -5.999 1.00 12.03 H new ATOM 0 HA ASP A 25 -8.249 -0.476 -7.750 1.00 63.43 H new ATOM 0 HB2 ASP A 25 -9.049 2.455 -7.680 1.00 2.14 H new ATOM 0 HB3 ASP A 25 -8.183 1.623 -8.956 1.00 2.14 H new ATOM 349 N TRP A 26 -7.442 0.951 -5.096 1.00 10.22 N ATOM 350 CA TRP A 26 -6.354 1.391 -4.232 1.00 14.30 C ATOM 351 C TRP A 26 -6.511 0.822 -2.826 1.00 54.35 C ATOM 352 O TRP A 26 -7.545 1.006 -2.185 1.00 13.00 O ATOM 353 CB TRP A 26 -6.305 2.919 -4.174 1.00 12.12 C ATOM 354 CG TRP A 26 -5.854 3.547 -5.458 1.00 13.44 C ATOM 355 CD1 TRP A 26 -6.597 3.723 -6.591 1.00 64.02 C ATOM 356 CD2 TRP A 26 -4.557 4.082 -5.740 1.00 11.54 C ATOM 357 NE1 TRP A 26 -5.839 4.334 -7.560 1.00 22.14 N ATOM 358 CE2 TRP A 26 -4.584 4.566 -7.063 1.00 22.13 C ATOM 359 CE3 TRP A 26 -3.375 4.201 -5.005 1.00 1.50 C ATOM 360 CZ2 TRP A 26 -3.475 5.157 -7.663 1.00 30.32 C ATOM 361 CZ3 TRP A 26 -2.275 4.788 -5.601 1.00 71.31 C ATOM 362 CH2 TRP A 26 -2.331 5.260 -6.919 1.00 2.54 C ATOM 0 H TRP A 26 -8.296 0.692 -4.601 1.00 10.22 H new ATOM 0 HA TRP A 26 -5.419 1.021 -4.652 1.00 14.30 H new ATOM 0 HB2 TRP A 26 -7.295 3.298 -3.920 1.00 12.12 H new ATOM 0 HB3 TRP A 26 -5.632 3.224 -3.373 1.00 12.12 H new ATOM 0 HD1 TRP A 26 -7.629 3.425 -6.708 1.00 64.02 H new ATOM 0 HE1 TRP A 26 -6.159 4.576 -8.498 1.00 22.14 H new ATOM 0 HE3 TRP A 26 -3.322 3.840 -3.988 1.00 1.50 H new ATOM 0 HZ2 TRP A 26 -3.516 5.521 -8.679 1.00 30.32 H new ATOM 0 HZ3 TRP A 26 -1.356 4.885 -5.041 1.00 71.31 H new ATOM 0 HH2 TRP A 26 -1.454 5.714 -7.356 1.00 2.54 H new ATOM 372 N TRP A 27 -5.479 0.132 -2.353 1.00 2.22 N ATOM 373 CA TRP A 27 -5.503 -0.464 -1.022 1.00 4.32 C ATOM 374 C TRP A 27 -4.538 0.255 -0.086 1.00 40.24 C ATOM 375 O TRP A 27 -3.321 0.178 -0.255 1.00 4.23 O ATOM 376 CB TRP A 27 -5.149 -1.949 -1.099 1.00 12.01 C ATOM 377 CG TRP A 27 -6.347 -2.840 -1.227 1.00 20.21 C ATOM 378 CD1 TRP A 27 -7.621 -2.461 -1.539 1.00 50.11 C ATOM 379 CD2 TRP A 27 -6.382 -4.260 -1.044 1.00 1.13 C ATOM 380 NE1 TRP A 27 -8.446 -3.559 -1.561 1.00 4.01 N ATOM 381 CE2 TRP A 27 -7.710 -4.675 -1.262 1.00 62.43 C ATOM 382 CE3 TRP A 27 -5.421 -5.221 -0.720 1.00 31.35 C ATOM 383 CZ2 TRP A 27 -8.100 -6.008 -1.164 1.00 53.24 C ATOM 384 CZ3 TRP A 27 -5.809 -6.544 -0.623 1.00 13.34 C ATOM 385 CH2 TRP A 27 -7.137 -6.928 -0.845 1.00 65.41 C ATOM 0 H TRP A 27 -4.615 -0.029 -2.871 1.00 2.22 H new ATOM 0 HA TRP A 27 -6.512 -0.359 -0.622 1.00 4.32 H new ATOM 0 HB2 TRP A 27 -4.490 -2.114 -1.951 1.00 12.01 H new ATOM 0 HB3 TRP A 27 -4.591 -2.229 -0.205 1.00 12.01 H new ATOM 0 HD1 TRP A 27 -7.934 -1.447 -1.739 1.00 50.11 H new ATOM 0 HE1 TRP A 27 -9.445 -3.546 -1.767 1.00 4.01 H new ATOM 0 HE3 TRP A 27 -4.394 -4.935 -0.548 1.00 31.35 H new ATOM 0 HZ2 TRP A 27 -9.124 -6.306 -1.333 1.00 53.24 H new ATOM 0 HZ3 TRP A 27 -5.075 -7.295 -0.371 1.00 13.34 H new ATOM 0 HH2 TRP A 27 -7.407 -7.970 -0.763 1.00 65.41 H new ATOM 395 N LYS A 28 -5.087 0.953 0.902 1.00 30.25 N ATOM 396 CA LYS A 28 -4.275 1.684 1.866 1.00 54.45 C ATOM 397 C LYS A 28 -3.429 0.728 2.701 1.00 53.32 C ATOM 398 O LYS A 28 -3.919 -0.296 3.177 1.00 14.23 O ATOM 399 CB LYS A 28 -5.167 2.525 2.782 1.00 51.15 C ATOM 400 CG LYS A 28 -4.500 3.793 3.285 1.00 40.44 C ATOM 401 CD LYS A 28 -5.148 4.295 4.565 1.00 11.35 C ATOM 402 CE LYS A 28 -4.671 5.696 4.919 1.00 32.21 C ATOM 403 NZ LYS A 28 -5.429 6.265 6.067 1.00 44.34 N ATOM 0 H LYS A 28 -6.093 1.028 1.056 1.00 30.25 H new ATOM 0 HA LYS A 28 -3.607 2.345 1.313 1.00 54.45 H new ATOM 0 HB2 LYS A 28 -6.076 2.792 2.244 1.00 51.15 H new ATOM 0 HB3 LYS A 28 -5.469 1.920 3.637 1.00 51.15 H new ATOM 0 HG2 LYS A 28 -3.442 3.602 3.463 1.00 40.44 H new ATOM 0 HG3 LYS A 28 -4.560 4.566 2.518 1.00 40.44 H new ATOM 0 HD2 LYS A 28 -6.232 4.297 4.449 1.00 11.35 H new ATOM 0 HD3 LYS A 28 -4.916 3.613 5.383 1.00 11.35 H new ATOM 0 HE2 LYS A 28 -3.609 5.667 5.163 1.00 32.21 H new ATOM 0 HE3 LYS A 28 -4.781 6.347 4.052 1.00 32.21 H new ATOM 0 HZ1 LYS A 28 -5.723 7.237 5.841 1.00 44.34 H new ATOM 0 HZ2 LYS A 28 -6.270 5.682 6.251 1.00 44.34 H new ATOM 0 HZ3 LYS A 28 -4.823 6.274 6.912 1.00 44.34 H new ATOM 413 N VAL A 29 -2.156 1.071 2.876 1.00 71.04 N ATOM 414 CA VAL A 29 -1.243 0.244 3.657 1.00 12.12 C ATOM 415 C VAL A 29 -0.233 1.102 4.412 1.00 23.24 C ATOM 416 O VAL A 29 0.280 2.085 3.880 1.00 54.31 O ATOM 417 CB VAL A 29 -0.484 -0.753 2.760 1.00 1.41 C ATOM 418 CG1 VAL A 29 -1.456 -1.688 2.058 1.00 62.02 C ATOM 419 CG2 VAL A 29 0.377 -0.010 1.749 1.00 34.10 C ATOM 0 H VAL A 29 -1.734 1.915 2.488 1.00 71.04 H new ATOM 0 HA VAL A 29 -1.851 -0.310 4.372 1.00 12.12 H new ATOM 0 HB VAL A 29 0.171 -1.355 3.390 1.00 1.41 H new ATOM 0 HG11 VAL A 29 -0.901 -2.384 1.429 1.00 62.02 H new ATOM 0 HG12 VAL A 29 -2.026 -2.245 2.801 1.00 62.02 H new ATOM 0 HG13 VAL A 29 -2.139 -1.105 1.439 1.00 62.02 H new ATOM 0 HG21 VAL A 29 0.906 -0.729 1.124 1.00 34.10 H new ATOM 0 HG22 VAL A 29 -0.257 0.618 1.123 1.00 34.10 H new ATOM 0 HG23 VAL A 29 1.099 0.614 2.275 1.00 34.10 H new ATOM 429 N GLU A 30 0.045 0.721 5.654 1.00 3.40 N ATOM 430 CA GLU A 30 0.993 1.457 6.483 1.00 72.20 C ATOM 431 C GLU A 30 2.341 0.744 6.531 1.00 75.01 C ATOM 432 O GLU A 30 2.430 -0.458 6.283 1.00 64.41 O ATOM 433 CB GLU A 30 0.442 1.625 7.901 1.00 33.42 C ATOM 434 CG GLU A 30 1.409 2.308 8.853 1.00 0.35 C ATOM 435 CD GLU A 30 0.860 2.419 10.262 1.00 12.31 C ATOM 436 OE1 GLU A 30 -0.379 2.448 10.414 1.00 50.24 O ATOM 437 OE2 GLU A 30 1.669 2.476 11.212 1.00 1.53 O ATOM 0 H GLU A 30 -0.372 -0.092 6.108 1.00 3.40 H new ATOM 0 HA GLU A 30 1.137 2.442 6.038 1.00 72.20 H new ATOM 0 HB2 GLU A 30 -0.481 2.204 7.857 1.00 33.42 H new ATOM 0 HB3 GLU A 30 0.184 0.644 8.300 1.00 33.42 H new ATOM 0 HG2 GLU A 30 2.346 1.751 8.875 1.00 0.35 H new ATOM 0 HG3 GLU A 30 1.640 3.305 8.477 1.00 0.35 H new ATOM 442 N VAL A 31 3.390 1.496 6.850 1.00 55.33 N ATOM 443 CA VAL A 31 4.734 0.938 6.931 1.00 73.44 C ATOM 444 C VAL A 31 5.192 0.813 8.380 1.00 31.23 C ATOM 445 O VAL A 31 4.981 -0.214 9.022 1.00 73.42 O ATOM 446 CB VAL A 31 5.748 1.800 6.156 1.00 53.43 C ATOM 447 CG1 VAL A 31 6.103 1.146 4.829 1.00 42.22 C ATOM 448 CG2 VAL A 31 5.198 3.202 5.940 1.00 34.42 C ATOM 0 H VAL A 31 3.334 2.493 7.056 1.00 55.33 H new ATOM 0 HA VAL A 31 4.692 -0.053 6.480 1.00 73.44 H new ATOM 0 HB VAL A 31 6.660 1.879 6.748 1.00 53.43 H new ATOM 0 HG11 VAL A 31 6.820 1.770 4.296 1.00 42.22 H new ATOM 0 HG12 VAL A 31 6.541 0.165 5.013 1.00 42.22 H new ATOM 0 HG13 VAL A 31 5.202 1.034 4.226 1.00 42.22 H new ATOM 0 HG21 VAL A 31 5.927 3.798 5.391 1.00 34.42 H new ATOM 0 HG22 VAL A 31 4.271 3.145 5.369 1.00 34.42 H new ATOM 0 HG23 VAL A 31 5.001 3.668 6.905 1.00 34.42 H new ATOM 458 N ASN A 32 5.820 1.868 8.889 1.00 22.03 N ATOM 459 CA ASN A 32 6.308 1.877 10.263 1.00 51.13 C ATOM 460 C ASN A 32 5.853 3.138 10.994 1.00 74.51 C ATOM 461 O ASN A 32 6.074 3.284 12.195 1.00 53.24 O ATOM 462 CB ASN A 32 7.835 1.785 10.285 1.00 30.33 C ATOM 463 CG ASN A 32 8.343 0.461 9.747 1.00 64.22 C ATOM 464 OD1 ASN A 32 8.269 0.290 8.433 1.00 24.51 O flip ATOM 465 ND2 ASN A 32 8.795 -0.397 10.505 1.00 30.50 N flip ATOM 0 H ASN A 32 6.003 2.727 8.371 1.00 22.03 H new ATOM 0 HA ASN A 32 5.891 1.010 10.776 1.00 51.13 H new ATOM 0 HB2 ASN A 32 8.254 2.599 9.693 1.00 30.33 H new ATOM 0 HB3 ASN A 32 8.190 1.919 11.307 1.00 30.33 H new ATOM 0 HD21 ASN A 32 8.833 -0.222 11.509 1.00 30.50 H new ATOM 0 HD22 ASN A 32 9.132 -1.283 10.129 1.00 30.50 H new ATOM 471 N ASP A 33 5.216 4.042 10.259 1.00 10.10 N ATOM 472 CA ASP A 33 4.727 5.289 10.837 1.00 34.14 C ATOM 473 C ASP A 33 3.895 6.068 9.823 1.00 52.42 C ATOM 474 O ASP A 33 2.949 6.767 10.187 1.00 54.34 O ATOM 475 CB ASP A 33 5.899 6.146 11.320 1.00 22.30 C ATOM 476 CG ASP A 33 5.683 6.685 12.721 1.00 13.05 C ATOM 477 OD1 ASP A 33 4.636 7.325 12.954 1.00 74.03 O ATOM 478 OD2 ASP A 33 6.561 6.469 13.582 1.00 11.10 O ATOM 0 H ASP A 33 5.026 3.935 9.263 1.00 10.10 H new ATOM 0 HA ASP A 33 4.092 5.042 11.688 1.00 34.14 H new ATOM 0 HB2 ASP A 33 6.813 5.552 11.299 1.00 22.30 H new ATOM 0 HB3 ASP A 33 6.044 6.979 10.632 1.00 22.30 H new ATOM 482 N ARG A 34 4.256 5.945 8.550 1.00 21.43 N ATOM 483 CA ARG A 34 3.545 6.640 7.483 1.00 4.02 C ATOM 484 C ARG A 34 2.590 5.694 6.761 1.00 0.22 C ATOM 485 O ARG A 34 2.861 4.500 6.637 1.00 21.41 O ATOM 486 CB ARG A 34 4.537 7.241 6.486 1.00 74.43 C ATOM 487 CG ARG A 34 5.790 7.805 7.138 1.00 64.54 C ATOM 488 CD ARG A 34 6.977 7.766 6.189 1.00 64.12 C ATOM 489 NE ARG A 34 8.247 7.687 6.905 1.00 42.53 N ATOM 490 CZ ARG A 34 8.784 6.549 7.328 1.00 23.33 C ATOM 491 NH1 ARG A 34 8.162 5.398 7.108 1.00 73.33 N ATOM 492 NH2 ARG A 34 9.942 6.559 7.973 1.00 75.03 N ATOM 0 H ARG A 34 5.037 5.371 8.232 1.00 21.43 H new ATOM 0 HA ARG A 34 2.962 7.444 7.933 1.00 4.02 H new ATOM 0 HB2 ARG A 34 4.826 6.475 5.767 1.00 74.43 H new ATOM 0 HB3 ARG A 34 4.041 8.034 5.926 1.00 74.43 H new ATOM 0 HG2 ARG A 34 5.607 8.833 7.452 1.00 64.54 H new ATOM 0 HG3 ARG A 34 6.022 7.234 8.037 1.00 64.54 H new ATOM 0 HD2 ARG A 34 6.882 6.908 5.524 1.00 64.12 H new ATOM 0 HD3 ARG A 34 6.969 8.657 5.562 1.00 64.12 H new ATOM 0 HE ARG A 34 8.750 8.555 7.091 1.00 42.53 H new ATOM 0 HH11 ARG A 34 7.270 5.387 6.613 1.00 73.33 H new ATOM 0 HH12 ARG A 34 8.576 4.524 7.434 1.00 73.33 H new ATOM 0 HH21 ARG A 34 10.422 7.442 8.145 1.00 75.03 H new ATOM 0 HH22 ARG A 34 10.353 5.683 8.297 1.00 75.03 H new ATOM 503 N GLN A 35 1.474 6.237 6.286 1.00 13.12 N ATOM 504 CA GLN A 35 0.479 5.440 5.576 1.00 54.42 C ATOM 505 C GLN A 35 -0.166 6.248 4.455 1.00 11.52 C ATOM 506 O GLN A 35 -0.266 7.472 4.537 1.00 23.03 O ATOM 507 CB GLN A 35 -0.594 4.944 6.547 1.00 34.35 C ATOM 508 CG GLN A 35 -0.750 5.818 7.781 1.00 52.52 C ATOM 509 CD GLN A 35 -2.017 5.516 8.555 1.00 33.41 C ATOM 510 OE1 GLN A 35 -3.104 5.966 8.189 1.00 11.31 O ATOM 511 NE2 GLN A 35 -1.886 4.748 9.630 1.00 53.44 N ATOM 0 H GLN A 35 1.236 7.224 6.379 1.00 13.12 H new ATOM 0 HA GLN A 35 0.985 4.581 5.135 1.00 54.42 H new ATOM 0 HB2 GLN A 35 -1.549 4.894 6.025 1.00 34.35 H new ATOM 0 HB3 GLN A 35 -0.348 3.929 6.860 1.00 34.35 H new ATOM 0 HG2 GLN A 35 0.112 5.676 8.433 1.00 52.52 H new ATOM 0 HG3 GLN A 35 -0.753 6.866 7.481 1.00 52.52 H new ATOM 0 HE21 GLN A 35 -0.966 4.397 9.897 1.00 53.44 H new ATOM 0 HE22 GLN A 35 -2.705 4.509 10.189 1.00 53.44 H new ATOM 518 N GLY A 36 -0.603 5.555 3.408 1.00 32.10 N ATOM 519 CA GLY A 36 -1.233 6.225 2.286 1.00 33.24 C ATOM 520 C GLY A 36 -1.925 5.256 1.348 1.00 11.24 C ATOM 521 O GLY A 36 -1.807 4.040 1.500 1.00 22.30 O ATOM 0 H GLY A 36 -0.532 4.542 3.317 1.00 32.10 H new ATOM 0 HA2 GLY A 36 -1.960 6.947 2.659 1.00 33.24 H new ATOM 0 HA3 GLY A 36 -0.480 6.787 1.733 1.00 33.24 H new ATOM 525 N PHE A 37 -2.652 5.795 0.374 1.00 53.13 N ATOM 526 CA PHE A 37 -3.369 4.971 -0.591 1.00 31.41 C ATOM 527 C PHE A 37 -2.434 4.490 -1.698 1.00 65.42 C ATOM 528 O PHE A 37 -1.781 5.292 -2.366 1.00 64.24 O ATOM 529 CB PHE A 37 -4.535 5.754 -1.198 1.00 12.43 C ATOM 530 CG PHE A 37 -5.674 5.969 -0.244 1.00 63.21 C ATOM 531 CD1 PHE A 37 -5.670 7.044 0.631 1.00 63.25 C ATOM 532 CD2 PHE A 37 -6.750 5.096 -0.221 1.00 11.11 C ATOM 533 CE1 PHE A 37 -6.718 7.242 1.511 1.00 51.01 C ATOM 534 CE2 PHE A 37 -7.800 5.289 0.656 1.00 4.42 C ATOM 535 CZ PHE A 37 -7.784 6.365 1.523 1.00 3.33 C ATOM 0 H PHE A 37 -2.760 6.799 0.233 1.00 53.13 H new ATOM 0 HA PHE A 37 -3.760 4.100 -0.066 1.00 31.41 H new ATOM 0 HB2 PHE A 37 -4.172 6.723 -1.542 1.00 12.43 H new ATOM 0 HB3 PHE A 37 -4.902 5.221 -2.075 1.00 12.43 H new ATOM 0 HD1 PHE A 37 -4.839 7.734 0.625 1.00 63.25 H new ATOM 0 HD2 PHE A 37 -6.768 4.254 -0.897 1.00 11.11 H new ATOM 0 HE1 PHE A 37 -6.703 8.083 2.189 1.00 51.01 H new ATOM 0 HE2 PHE A 37 -8.632 4.600 0.664 1.00 4.42 H new ATOM 0 HZ PHE A 37 -8.604 6.520 2.209 1.00 3.33 H new ATOM 544 N VAL A 38 -2.374 3.176 -1.884 1.00 35.41 N ATOM 545 CA VAL A 38 -1.520 2.587 -2.908 1.00 15.55 C ATOM 546 C VAL A 38 -2.310 1.641 -3.806 1.00 33.12 C ATOM 547 O VAL A 38 -3.356 1.114 -3.426 1.00 11.14 O ATOM 548 CB VAL A 38 -0.341 1.818 -2.283 1.00 2.24 C ATOM 549 CG1 VAL A 38 0.780 2.776 -1.906 1.00 74.21 C ATOM 550 CG2 VAL A 38 -0.806 1.025 -1.071 1.00 32.31 C ATOM 0 H VAL A 38 -2.907 2.499 -1.339 1.00 35.41 H new ATOM 0 HA VAL A 38 -1.130 3.411 -3.506 1.00 15.55 H new ATOM 0 HB VAL A 38 0.046 1.116 -3.021 1.00 2.24 H new ATOM 0 HG11 VAL A 38 1.605 2.216 -1.466 1.00 74.21 H new ATOM 0 HG12 VAL A 38 1.130 3.296 -2.798 1.00 74.21 H new ATOM 0 HG13 VAL A 38 0.409 3.503 -1.184 1.00 74.21 H new ATOM 0 HG21 VAL A 38 0.040 0.488 -0.642 1.00 32.31 H new ATOM 0 HG22 VAL A 38 -1.219 1.706 -0.327 1.00 32.31 H new ATOM 0 HG23 VAL A 38 -1.572 0.312 -1.375 1.00 32.31 H new ATOM 560 N PRO A 39 -1.799 1.418 -5.026 1.00 41.03 N ATOM 561 CA PRO A 39 -2.440 0.534 -6.003 1.00 62.32 C ATOM 562 C PRO A 39 -2.363 -0.934 -5.596 1.00 54.21 C ATOM 563 O PRO A 39 -1.274 -1.486 -5.435 1.00 23.24 O ATOM 564 CB PRO A 39 -1.637 0.776 -7.283 1.00 13.13 C ATOM 565 CG PRO A 39 -0.302 1.239 -6.810 1.00 51.33 C ATOM 566 CD PRO A 39 -0.556 2.013 -5.546 1.00 23.50 C ATOM 0 HA PRO A 39 -3.504 0.745 -6.105 1.00 62.32 H new ATOM 0 HB2 PRO A 39 -1.553 -0.135 -7.876 1.00 13.13 H new ATOM 0 HB3 PRO A 39 -2.115 1.525 -7.915 1.00 13.13 H new ATOM 0 HG2 PRO A 39 0.361 0.394 -6.624 1.00 51.33 H new ATOM 0 HG3 PRO A 39 0.182 1.864 -7.560 1.00 51.33 H new ATOM 0 HD2 PRO A 39 0.266 1.908 -4.838 1.00 23.50 H new ATOM 0 HD3 PRO A 39 -0.673 3.079 -5.744 1.00 23.50 H new ATOM 571 N ALA A 40 -3.523 -1.560 -5.429 1.00 41.42 N ATOM 572 CA ALA A 40 -3.586 -2.963 -5.042 1.00 35.35 C ATOM 573 C ALA A 40 -2.752 -3.829 -5.981 1.00 53.05 C ATOM 574 O ALA A 40 -2.408 -4.965 -5.653 1.00 44.33 O ATOM 575 CB ALA A 40 -5.030 -3.442 -5.023 1.00 2.01 C ATOM 0 H ALA A 40 -4.433 -1.117 -5.556 1.00 41.42 H new ATOM 0 HA ALA A 40 -3.171 -3.056 -4.038 1.00 35.35 H new ATOM 0 HB1 ALA A 40 -5.061 -4.492 -4.732 1.00 2.01 H new ATOM 0 HB2 ALA A 40 -5.600 -2.850 -4.307 1.00 2.01 H new ATOM 0 HB3 ALA A 40 -5.464 -3.328 -6.016 1.00 2.01 H new ATOM 581 N ALA A 41 -2.430 -3.286 -7.150 1.00 21.12 N ATOM 582 CA ALA A 41 -1.636 -4.008 -8.135 1.00 35.24 C ATOM 583 C ALA A 41 -0.199 -4.184 -7.659 1.00 74.12 C ATOM 584 O ALA A 41 0.480 -5.138 -8.041 1.00 73.53 O ATOM 585 CB ALA A 41 -1.666 -3.282 -9.472 1.00 33.35 C ATOM 0 H ALA A 41 -2.707 -2.348 -7.438 1.00 21.12 H new ATOM 0 HA ALA A 41 -2.073 -4.998 -8.262 1.00 35.24 H new ATOM 0 HB1 ALA A 41 -1.069 -3.833 -10.199 1.00 33.35 H new ATOM 0 HB2 ALA A 41 -2.695 -3.213 -9.826 1.00 33.35 H new ATOM 0 HB3 ALA A 41 -1.256 -2.279 -9.351 1.00 33.35 H new ATOM 591 N TYR A 42 0.261 -3.259 -6.824 1.00 2.55 N ATOM 592 CA TYR A 42 1.619 -3.311 -6.298 1.00 14.34 C ATOM 593 C TYR A 42 1.677 -4.138 -5.019 1.00 52.34 C ATOM 594 O TYR A 42 2.756 -4.439 -4.507 1.00 32.23 O ATOM 595 CB TYR A 42 2.139 -1.898 -6.029 1.00 40.51 C ATOM 596 CG TYR A 42 2.475 -1.126 -7.286 1.00 44.14 C ATOM 597 CD1 TYR A 42 1.577 -1.059 -8.344 1.00 4.40 C ATOM 598 CD2 TYR A 42 3.691 -0.466 -7.415 1.00 42.00 C ATOM 599 CE1 TYR A 42 1.880 -0.356 -9.494 1.00 3.50 C ATOM 600 CE2 TYR A 42 4.002 0.241 -8.560 1.00 20.31 C ATOM 601 CZ TYR A 42 3.093 0.293 -9.597 1.00 3.03 C ATOM 602 OH TYR A 42 3.400 0.994 -10.741 1.00 3.10 O ATOM 0 H TYR A 42 -0.287 -2.464 -6.497 1.00 2.55 H new ATOM 0 HA TYR A 42 2.252 -3.788 -7.046 1.00 14.34 H new ATOM 0 HB2 TYR A 42 1.389 -1.346 -5.463 1.00 40.51 H new ATOM 0 HB3 TYR A 42 3.029 -1.961 -5.402 1.00 40.51 H new ATOM 0 HD1 TYR A 42 0.626 -1.565 -8.266 1.00 4.40 H new ATOM 0 HD2 TYR A 42 4.405 -0.507 -6.606 1.00 42.00 H new ATOM 0 HE1 TYR A 42 1.171 -0.315 -10.308 1.00 3.50 H new ATOM 0 HE2 TYR A 42 4.951 0.750 -8.643 1.00 20.31 H new ATOM 0 HH TYR A 42 3.964 0.441 -11.322 1.00 3.10 H new ATOM 611 N VAL A 43 0.506 -4.505 -4.505 1.00 12.44 N ATOM 612 CA VAL A 43 0.421 -5.299 -3.286 1.00 41.31 C ATOM 613 C VAL A 43 -0.532 -6.475 -3.462 1.00 73.43 C ATOM 614 O VAL A 43 -1.129 -6.652 -4.524 1.00 43.22 O ATOM 615 CB VAL A 43 -0.047 -4.446 -2.092 1.00 61.21 C ATOM 616 CG1 VAL A 43 1.024 -3.439 -1.702 1.00 64.13 C ATOM 617 CG2 VAL A 43 -1.357 -3.745 -2.420 1.00 14.51 C ATOM 0 H VAL A 43 -0.396 -4.264 -4.915 1.00 12.44 H new ATOM 0 HA VAL A 43 1.424 -5.675 -3.083 1.00 41.31 H new ATOM 0 HB VAL A 43 -0.217 -5.105 -1.241 1.00 61.21 H new ATOM 0 HG11 VAL A 43 0.675 -2.846 -0.857 1.00 64.13 H new ATOM 0 HG12 VAL A 43 1.936 -3.967 -1.423 1.00 64.13 H new ATOM 0 HG13 VAL A 43 1.230 -2.781 -2.547 1.00 64.13 H new ATOM 0 HG21 VAL A 43 -1.673 -3.147 -1.566 1.00 14.51 H new ATOM 0 HG22 VAL A 43 -1.216 -3.097 -3.285 1.00 14.51 H new ATOM 0 HG23 VAL A 43 -2.121 -4.489 -2.645 1.00 14.51 H new ATOM 627 N LYS A 44 -0.672 -7.279 -2.412 1.00 11.04 N ATOM 628 CA LYS A 44 -1.554 -8.438 -2.448 1.00 22.23 C ATOM 629 C LYS A 44 -1.659 -9.085 -1.071 1.00 34.42 C ATOM 630 O LYS A 44 -0.667 -9.202 -0.352 1.00 75.43 O ATOM 631 CB LYS A 44 -1.046 -9.461 -3.467 1.00 21.22 C ATOM 632 CG LYS A 44 -1.550 -10.871 -3.217 1.00 33.55 C ATOM 633 CD LYS A 44 -0.472 -11.747 -2.602 1.00 62.34 C ATOM 634 CE LYS A 44 0.777 -11.788 -3.468 1.00 2.20 C ATOM 635 NZ LYS A 44 1.137 -13.179 -3.859 1.00 2.12 N ATOM 0 H LYS A 44 -0.185 -7.148 -1.526 1.00 11.04 H new ATOM 0 HA LYS A 44 -2.546 -8.099 -2.747 1.00 22.23 H new ATOM 0 HB2 LYS A 44 -1.349 -9.148 -4.466 1.00 21.22 H new ATOM 0 HB3 LYS A 44 0.044 -9.466 -3.452 1.00 21.22 H new ATOM 0 HG2 LYS A 44 -2.415 -10.837 -2.554 1.00 33.55 H new ATOM 0 HG3 LYS A 44 -1.885 -11.311 -4.156 1.00 33.55 H new ATOM 0 HD2 LYS A 44 -0.217 -11.370 -1.612 1.00 62.34 H new ATOM 0 HD3 LYS A 44 -0.856 -12.758 -2.468 1.00 62.34 H new ATOM 0 HE2 LYS A 44 0.617 -11.189 -4.364 1.00 2.20 H new ATOM 0 HE3 LYS A 44 1.609 -11.336 -2.927 1.00 2.20 H new ATOM 0 HZ1 LYS A 44 1.994 -13.163 -4.448 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 1.315 -13.745 -3.005 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 0.354 -13.602 -4.397 1.00 2.12 H new ATOM 645 N LYS A 45 -2.866 -9.507 -0.711 1.00 61.13 N ATOM 646 CA LYS A 45 -3.100 -10.146 0.580 1.00 4.15 C ATOM 647 C LYS A 45 -2.281 -11.426 0.709 1.00 20.23 C ATOM 648 O LYS A 45 -2.044 -12.125 -0.276 1.00 32.43 O ATOM 649 CB LYS A 45 -4.588 -10.459 0.754 1.00 21.22 C ATOM 650 CG LYS A 45 -5.302 -9.512 1.702 1.00 45.42 C ATOM 651 CD LYS A 45 -6.643 -10.072 2.146 1.00 32.22 C ATOM 652 CE LYS A 45 -7.791 -9.462 1.357 1.00 51.14 C ATOM 653 NZ LYS A 45 -9.099 -9.660 2.041 1.00 22.13 N ATOM 0 H LYS A 45 -3.698 -9.418 -1.294 1.00 61.13 H new ATOM 0 HA LYS A 45 -2.787 -9.455 1.363 1.00 4.15 H new ATOM 0 HB2 LYS A 45 -5.075 -10.420 -0.220 1.00 21.22 H new ATOM 0 HB3 LYS A 45 -4.695 -11.479 1.123 1.00 21.22 H new ATOM 0 HG2 LYS A 45 -4.676 -9.330 2.575 1.00 45.42 H new ATOM 0 HG3 LYS A 45 -5.453 -8.550 1.212 1.00 45.42 H new ATOM 0 HD2 LYS A 45 -6.647 -11.154 2.018 1.00 32.22 H new ATOM 0 HD3 LYS A 45 -6.786 -9.876 3.209 1.00 32.22 H new ATOM 0 HE2 LYS A 45 -7.611 -8.396 1.219 1.00 51.14 H new ATOM 0 HE3 LYS A 45 -7.828 -9.910 0.364 1.00 51.14 H new ATOM 0 HZ1 LYS A 45 -9.857 -9.230 1.473 1.00 22.13 H new ATOM 0 HZ2 LYS A 45 -9.283 -10.678 2.151 1.00 22.13 H new ATOM 0 HZ3 LYS A 45 -9.072 -9.210 2.978 1.00 22.13 H new ATOM 663 N LEU A 46 -1.854 -11.728 1.929 1.00 41.34 N ATOM 664 CA LEU A 46 -1.063 -12.926 2.189 1.00 21.35 C ATOM 665 C LEU A 46 -1.854 -13.933 3.017 1.00 62.23 C ATOM 666 O LEU A 46 -3.024 -13.709 3.333 1.00 33.41 O ATOM 667 CB LEU A 46 0.233 -12.559 2.913 1.00 42.21 C ATOM 668 CG LEU A 46 1.162 -11.593 2.178 1.00 50.51 C ATOM 669 CD1 LEU A 46 2.189 -11.007 3.135 1.00 45.13 C ATOM 670 CD2 LEU A 46 1.853 -12.296 1.019 1.00 31.25 C ATOM 0 H LEU A 46 -2.042 -11.160 2.755 1.00 41.34 H new ATOM 0 HA LEU A 46 -0.819 -13.384 1.231 1.00 21.35 H new ATOM 0 HB2 LEU A 46 -0.025 -12.121 3.877 1.00 42.21 H new ATOM 0 HB3 LEU A 46 0.784 -13.477 3.117 1.00 42.21 H new ATOM 0 HG LEU A 46 0.561 -10.777 1.777 1.00 50.51 H new ATOM 0 HD11 LEU A 46 2.841 -10.322 2.594 1.00 45.13 H new ATOM 0 HD12 LEU A 46 1.677 -10.467 3.932 1.00 45.13 H new ATOM 0 HD13 LEU A 46 2.785 -11.811 3.566 1.00 45.13 H new ATOM 0 HD21 LEU A 46 2.510 -11.593 0.507 1.00 31.25 H new ATOM 0 HD22 LEU A 46 2.441 -13.132 1.399 1.00 31.25 H new ATOM 0 HD23 LEU A 46 1.104 -12.667 0.320 1.00 31.25 H new ATOM 681 N ASP A 47 -1.209 -15.040 3.369 1.00 3.05 N ATOM 682 CA ASP A 47 -1.851 -16.080 4.164 1.00 25.52 C ATOM 683 C ASP A 47 -1.083 -16.328 5.458 1.00 0.53 C ATOM 684 O ASP A 47 -0.032 -16.968 5.454 1.00 42.52 O ATOM 685 CB ASP A 47 -1.952 -17.377 3.359 1.00 63.13 C ATOM 686 CG ASP A 47 -3.361 -17.646 2.869 1.00 61.51 C ATOM 687 OD1 ASP A 47 -4.310 -17.079 3.449 1.00 4.13 O ATOM 688 OD2 ASP A 47 -3.516 -18.426 1.905 1.00 14.53 O ATOM 0 H ASP A 47 -0.241 -15.240 3.116 1.00 3.05 H new ATOM 0 HA ASP A 47 -2.855 -15.740 4.419 1.00 25.52 H new ATOM 0 HB2 ASP A 47 -1.277 -17.324 2.505 1.00 63.13 H new ATOM 0 HB3 ASP A 47 -1.620 -18.211 3.977 1.00 63.13 H new ATOM 692 N SER A 48 -1.614 -15.814 6.563 1.00 10.34 N ATOM 693 CA SER A 48 -0.976 -15.974 7.864 1.00 74.34 C ATOM 694 C SER A 48 -1.591 -17.141 8.631 1.00 44.20 C ATOM 695 O SER A 48 -0.902 -18.093 8.995 1.00 10.13 O ATOM 696 CB SER A 48 -1.103 -14.687 8.681 1.00 22.41 C ATOM 697 OG SER A 48 -2.415 -14.539 9.196 1.00 63.14 O ATOM 0 H SER A 48 -2.485 -15.283 6.583 1.00 10.34 H new ATOM 0 HA SER A 48 0.080 -16.187 7.699 1.00 74.34 H new ATOM 0 HB2 SER A 48 -0.386 -14.701 9.502 1.00 22.41 H new ATOM 0 HB3 SER A 48 -0.855 -13.829 8.056 1.00 22.41 H new ATOM 0 HG SER A 48 -2.471 -13.710 9.716 1.00 63.14 H new ATOM 702 N GLY A 49 -2.897 -17.058 8.874 1.00 12.12 N ATOM 703 CA GLY A 49 -3.585 -18.112 9.596 1.00 41.43 C ATOM 704 C GLY A 49 -4.454 -17.575 10.716 1.00 32.11 C ATOM 705 O GLY A 49 -5.672 -17.749 10.705 1.00 45.33 O ATOM 0 H GLY A 49 -3.489 -16.280 8.584 1.00 12.12 H new ATOM 0 HA2 GLY A 49 -4.203 -18.680 8.901 1.00 41.43 H new ATOM 0 HA3 GLY A 49 -2.851 -18.804 10.009 1.00 41.43 H new ATOM 709 N THR A 50 -3.826 -16.921 11.688 1.00 72.05 N ATOM 710 CA THR A 50 -4.548 -16.360 12.823 1.00 72.04 C ATOM 711 C THR A 50 -5.745 -15.538 12.360 1.00 10.32 C ATOM 712 O THR A 50 -6.870 -15.752 12.812 1.00 11.54 O ATOM 713 CB THR A 50 -3.633 -15.472 13.688 1.00 5.33 C ATOM 714 OG1 THR A 50 -4.365 -14.960 14.808 1.00 22.15 O ATOM 715 CG2 THR A 50 -3.072 -14.317 12.872 1.00 3.22 C ATOM 0 H THR A 50 -2.818 -16.767 11.712 1.00 72.05 H new ATOM 0 HA THR A 50 -4.898 -17.201 13.422 1.00 72.04 H new ATOM 0 HB THR A 50 -2.803 -16.081 14.044 1.00 5.33 H new ATOM 0 HG1 THR A 50 -3.777 -14.398 15.354 1.00 22.15 H new ATOM 0 HG21 THR A 50 -2.429 -13.704 13.504 1.00 3.22 H new ATOM 0 HG22 THR A 50 -2.492 -14.710 12.037 1.00 3.22 H new ATOM 0 HG23 THR A 50 -3.892 -13.709 12.490 1.00 3.22 H new ATOM 723 N GLY A 51 -5.497 -14.597 11.453 1.00 41.45 N ATOM 724 CA GLY A 51 -6.565 -13.756 10.944 1.00 71.11 C ATOM 725 C GLY A 51 -6.187 -12.289 10.920 1.00 52.10 C ATOM 726 O GLY A 51 -7.036 -11.418 11.111 1.00 23.10 O ATOM 0 H GLY A 51 -4.575 -14.402 11.062 1.00 41.45 H new ATOM 0 HA2 GLY A 51 -6.827 -14.077 9.936 1.00 71.11 H new ATOM 0 HA3 GLY A 51 -7.453 -13.889 11.561 1.00 71.11 H new ATOM 730 N LYS A 52 -4.908 -12.013 10.686 1.00 0.20 N ATOM 731 CA LYS A 52 -4.418 -10.640 10.638 1.00 63.11 C ATOM 732 C LYS A 52 -4.631 -10.035 9.255 1.00 2.31 C ATOM 733 O LYS A 52 -4.858 -10.753 8.282 1.00 12.21 O ATOM 734 CB LYS A 52 -2.933 -10.594 11.004 1.00 70.42 C ATOM 735 CG LYS A 52 -2.615 -11.248 12.338 1.00 12.32 C ATOM 736 CD LYS A 52 -1.920 -10.280 13.281 1.00 65.01 C ATOM 737 CE LYS A 52 -2.896 -9.681 14.283 1.00 62.03 C ATOM 738 NZ LYS A 52 -2.220 -9.295 15.552 1.00 41.55 N ATOM 0 H LYS A 52 -4.192 -12.722 10.527 1.00 0.20 H new ATOM 0 HA LYS A 52 -4.983 -10.053 11.363 1.00 63.11 H new ATOM 0 HB2 LYS A 52 -2.359 -11.088 10.220 1.00 70.42 H new ATOM 0 HB3 LYS A 52 -2.606 -9.555 11.031 1.00 70.42 H new ATOM 0 HG2 LYS A 52 -3.536 -11.607 12.797 1.00 12.32 H new ATOM 0 HG3 LYS A 52 -1.980 -12.119 12.175 1.00 12.32 H new ATOM 0 HD2 LYS A 52 -1.122 -10.798 13.813 1.00 65.01 H new ATOM 0 HD3 LYS A 52 -1.452 -9.482 12.705 1.00 65.01 H new ATOM 0 HE2 LYS A 52 -3.374 -8.805 13.845 1.00 62.03 H new ATOM 0 HE3 LYS A 52 -3.685 -10.402 14.497 1.00 62.03 H new ATOM 0 HZ1 LYS A 52 -2.918 -8.891 16.208 1.00 41.55 H new ATOM 0 HZ2 LYS A 52 -1.785 -10.136 15.983 1.00 41.55 H new ATOM 0 HZ3 LYS A 52 -1.484 -8.588 15.352 1.00 41.55 H new ATOM 748 N GLU A 53 -4.554 -8.710 9.175 1.00 20.01 N ATOM 749 CA GLU A 53 -4.738 -8.009 7.909 1.00 23.13 C ATOM 750 C GLU A 53 -3.409 -7.469 7.388 1.00 64.43 C ATOM 751 O GLU A 53 -3.042 -6.325 7.659 1.00 54.01 O ATOM 752 CB GLU A 53 -5.737 -6.862 8.076 1.00 53.11 C ATOM 753 CG GLU A 53 -6.942 -7.224 8.927 1.00 23.43 C ATOM 754 CD GLU A 53 -6.622 -7.255 10.408 1.00 62.25 C ATOM 755 OE1 GLU A 53 -6.640 -6.179 11.042 1.00 2.22 O ATOM 756 OE2 GLU A 53 -6.355 -8.355 10.936 1.00 0.13 O ATOM 0 H GLU A 53 -4.366 -8.101 9.971 1.00 20.01 H new ATOM 0 HA GLU A 53 -5.131 -8.721 7.183 1.00 23.13 H new ATOM 0 HB2 GLU A 53 -5.227 -6.010 8.526 1.00 53.11 H new ATOM 0 HB3 GLU A 53 -6.080 -6.544 7.092 1.00 53.11 H new ATOM 0 HG2 GLU A 53 -7.739 -6.503 8.746 1.00 23.43 H new ATOM 0 HG3 GLU A 53 -7.319 -8.200 8.620 1.00 23.43 H new ATOM 761 N LEU A 54 -2.693 -8.300 6.640 1.00 74.54 N ATOM 762 CA LEU A 54 -1.403 -7.908 6.080 1.00 43.31 C ATOM 763 C LEU A 54 -1.402 -8.055 4.562 1.00 14.33 C ATOM 764 O LEU A 54 -2.141 -8.866 4.005 1.00 44.55 O ATOM 765 CB LEU A 54 -0.283 -8.754 6.688 1.00 33.42 C ATOM 766 CG LEU A 54 -0.715 -10.058 7.359 1.00 41.24 C ATOM 767 CD1 LEU A 54 -0.907 -11.154 6.323 1.00 73.10 C ATOM 768 CD2 LEU A 54 0.305 -10.483 8.406 1.00 32.12 C ATOM 0 H LEU A 54 -2.983 -9.250 6.407 1.00 74.54 H new ATOM 0 HA LEU A 54 -1.231 -6.860 6.325 1.00 43.31 H new ATOM 0 HB2 LEU A 54 0.432 -8.993 5.901 1.00 33.42 H new ATOM 0 HB3 LEU A 54 0.244 -8.147 7.424 1.00 33.42 H new ATOM 0 HG LEU A 54 -1.669 -9.888 7.858 1.00 41.24 H new ATOM 0 HD11 LEU A 54 -1.214 -12.074 6.820 1.00 73.10 H new ATOM 0 HD12 LEU A 54 -1.675 -10.852 5.612 1.00 73.10 H new ATOM 0 HD13 LEU A 54 0.031 -11.323 5.794 1.00 73.10 H new ATOM 0 HD21 LEU A 54 -0.019 -11.413 8.873 1.00 32.12 H new ATOM 0 HD22 LEU A 54 1.274 -10.634 7.930 1.00 32.12 H new ATOM 0 HD23 LEU A 54 0.392 -9.706 9.166 1.00 32.12 H new ATOM 779 N VAL A 55 -0.563 -7.266 3.897 1.00 5.30 N ATOM 780 CA VAL A 55 -0.462 -7.309 2.444 1.00 75.34 C ATOM 781 C VAL A 55 0.973 -7.074 1.985 1.00 23.31 C ATOM 782 O VAL A 55 1.545 -6.010 2.224 1.00 54.15 O ATOM 783 CB VAL A 55 -1.379 -6.262 1.786 1.00 14.33 C ATOM 784 CG1 VAL A 55 -2.717 -6.882 1.411 1.00 51.35 C ATOM 785 CG2 VAL A 55 -1.574 -5.070 2.710 1.00 13.45 C ATOM 0 H VAL A 55 0.057 -6.589 4.343 1.00 5.30 H new ATOM 0 HA VAL A 55 -0.780 -8.304 2.134 1.00 75.34 H new ATOM 0 HB VAL A 55 -0.901 -5.910 0.872 1.00 14.33 H new ATOM 0 HG11 VAL A 55 -3.351 -6.126 0.947 1.00 51.35 H new ATOM 0 HG12 VAL A 55 -2.555 -7.700 0.709 1.00 51.35 H new ATOM 0 HG13 VAL A 55 -3.205 -7.265 2.308 1.00 51.35 H new ATOM 0 HG21 VAL A 55 -2.225 -4.340 2.229 1.00 13.45 H new ATOM 0 HG22 VAL A 55 -2.029 -5.403 3.643 1.00 13.45 H new ATOM 0 HG23 VAL A 55 -0.608 -4.612 2.921 1.00 13.45 H new ATOM 795 N LEU A 56 1.548 -8.073 1.326 1.00 14.44 N ATOM 796 CA LEU A 56 2.918 -7.975 0.832 1.00 1.23 C ATOM 797 C LEU A 56 3.000 -7.028 -0.361 1.00 11.02 C ATOM 798 O LEU A 56 2.020 -6.831 -1.079 1.00 53.12 O ATOM 799 CB LEU A 56 3.439 -9.358 0.436 1.00 51.25 C ATOM 800 CG LEU A 56 4.883 -9.414 -0.062 1.00 10.34 C ATOM 801 CD1 LEU A 56 5.644 -10.535 0.627 1.00 43.32 C ATOM 802 CD2 LEU A 56 4.918 -9.593 -1.574 1.00 40.24 C ATOM 0 H LEU A 56 1.088 -8.960 1.121 1.00 14.44 H new ATOM 0 HA LEU A 56 3.539 -7.575 1.634 1.00 1.23 H new ATOM 0 HB2 LEU A 56 3.347 -10.019 1.298 1.00 51.25 H new ATOM 0 HB3 LEU A 56 2.791 -9.759 -0.344 1.00 51.25 H new ATOM 0 HG LEU A 56 5.369 -8.470 0.185 1.00 10.34 H new ATOM 0 HD11 LEU A 56 6.670 -10.558 0.259 1.00 43.32 H new ATOM 0 HD12 LEU A 56 5.649 -10.364 1.703 1.00 43.32 H new ATOM 0 HD13 LEU A 56 5.160 -11.488 0.413 1.00 43.32 H new ATOM 0 HD21 LEU A 56 5.954 -9.631 -1.912 1.00 40.24 H new ATOM 0 HD22 LEU A 56 4.415 -10.522 -1.842 1.00 40.24 H new ATOM 0 HD23 LEU A 56 4.411 -8.755 -2.051 1.00 40.24 H new ATOM 813 N ALA A 57 4.177 -6.445 -0.567 1.00 52.11 N ATOM 814 CA ALA A 57 4.389 -5.522 -1.675 1.00 5.31 C ATOM 815 C ALA A 57 5.020 -6.233 -2.868 1.00 5.14 C ATOM 816 O ALA A 57 6.182 -6.636 -2.820 1.00 51.22 O ATOM 817 CB ALA A 57 5.260 -4.355 -1.232 1.00 24.42 C ATOM 0 H ALA A 57 4.998 -6.596 0.019 1.00 52.11 H new ATOM 0 HA ALA A 57 3.418 -5.138 -1.986 1.00 5.31 H new ATOM 0 HB1 ALA A 57 5.410 -3.674 -2.070 1.00 24.42 H new ATOM 0 HB2 ALA A 57 4.770 -3.824 -0.416 1.00 24.42 H new ATOM 0 HB3 ALA A 57 6.225 -4.730 -0.892 1.00 24.42 H new ATOM 823 N LEU A 58 4.246 -6.382 -3.938 1.00 43.05 N ATOM 824 CA LEU A 58 4.729 -7.045 -5.144 1.00 72.11 C ATOM 825 C LEU A 58 5.679 -6.138 -5.921 1.00 45.01 C ATOM 826 O LEU A 58 6.654 -6.603 -6.511 1.00 53.04 O ATOM 827 CB LEU A 58 3.552 -7.451 -6.033 1.00 12.45 C ATOM 828 CG LEU A 58 2.274 -7.868 -5.306 1.00 40.24 C ATOM 829 CD1 LEU A 58 1.231 -8.360 -6.297 1.00 75.12 C ATOM 830 CD2 LEU A 58 2.576 -8.940 -4.269 1.00 43.02 C ATOM 0 H LEU A 58 3.282 -6.053 -3.995 1.00 43.05 H new ATOM 0 HA LEU A 58 5.275 -7.939 -4.843 1.00 72.11 H new ATOM 0 HB2 LEU A 58 3.315 -6.615 -6.692 1.00 12.45 H new ATOM 0 HB3 LEU A 58 3.871 -8.277 -6.668 1.00 12.45 H new ATOM 0 HG LEU A 58 1.871 -6.996 -4.791 1.00 40.24 H new ATOM 0 HD11 LEU A 58 0.328 -8.652 -5.760 1.00 75.12 H new ATOM 0 HD12 LEU A 58 0.993 -7.562 -7.000 1.00 75.12 H new ATOM 0 HD13 LEU A 58 1.623 -9.219 -6.842 1.00 75.12 H new ATOM 0 HD21 LEU A 58 1.655 -9.225 -3.761 1.00 43.02 H new ATOM 0 HD22 LEU A 58 3.003 -9.813 -4.762 1.00 43.02 H new ATOM 0 HD23 LEU A 58 3.287 -8.551 -3.540 1.00 43.02 H new ATOM 841 N TYR A 59 5.388 -4.843 -5.914 1.00 4.44 N ATOM 842 CA TYR A 59 6.215 -3.870 -6.618 1.00 31.12 C ATOM 843 C TYR A 59 6.587 -2.707 -5.703 1.00 24.21 C ATOM 844 O TYR A 59 5.990 -2.522 -4.642 1.00 74.33 O ATOM 845 CB TYR A 59 5.484 -3.347 -7.855 1.00 23.22 C ATOM 846 CG TYR A 59 4.719 -4.415 -8.603 1.00 22.44 C ATOM 847 CD1 TYR A 59 5.296 -5.649 -8.875 1.00 34.13 C ATOM 848 CD2 TYR A 59 3.419 -4.190 -9.038 1.00 64.41 C ATOM 849 CE1 TYR A 59 4.601 -6.628 -9.560 1.00 70.13 C ATOM 850 CE2 TYR A 59 2.715 -5.163 -9.722 1.00 72.03 C ATOM 851 CZ TYR A 59 3.311 -6.380 -9.980 1.00 61.23 C ATOM 852 OH TYR A 59 2.615 -7.354 -10.660 1.00 0.43 O ATOM 0 H TYR A 59 4.586 -4.442 -5.429 1.00 4.44 H new ATOM 0 HA TYR A 59 7.132 -4.370 -6.931 1.00 31.12 H new ATOM 0 HB2 TYR A 59 4.792 -2.561 -7.553 1.00 23.22 H new ATOM 0 HB3 TYR A 59 6.209 -2.891 -8.530 1.00 23.22 H new ATOM 0 HD1 TYR A 59 6.305 -5.847 -8.546 1.00 34.13 H new ATOM 0 HD2 TYR A 59 2.950 -3.238 -8.838 1.00 64.41 H new ATOM 0 HE1 TYR A 59 5.065 -7.581 -9.765 1.00 70.13 H new ATOM 0 HE2 TYR A 59 1.705 -4.972 -10.052 1.00 72.03 H new ATOM 0 HH TYR A 59 1.721 -7.021 -10.884 1.00 0.43 H new ATOM 861 N ASP A 60 7.574 -1.924 -6.124 1.00 41.12 N ATOM 862 CA ASP A 60 8.025 -0.777 -5.344 1.00 73.44 C ATOM 863 C ASP A 60 7.191 0.459 -5.664 1.00 0.42 C ATOM 864 O ASP A 60 7.236 0.978 -6.780 1.00 4.12 O ATOM 865 CB ASP A 60 9.504 -0.496 -5.619 1.00 22.03 C ATOM 866 CG ASP A 60 10.423 -1.357 -4.778 1.00 71.44 C ATOM 867 OD1 ASP A 60 10.324 -2.599 -4.871 1.00 72.24 O ATOM 868 OD2 ASP A 60 11.243 -0.790 -4.026 1.00 72.15 O ATOM 0 H ASP A 60 8.077 -2.062 -7.001 1.00 41.12 H new ATOM 0 HA ASP A 60 7.899 -1.014 -4.288 1.00 73.44 H new ATOM 0 HB2 ASP A 60 9.714 -0.670 -6.674 1.00 22.03 H new ATOM 0 HB3 ASP A 60 9.714 0.555 -5.421 1.00 22.03 H new ATOM 872 N TYR A 61 6.431 0.925 -4.679 1.00 14.35 N ATOM 873 CA TYR A 61 5.584 2.098 -4.857 1.00 10.33 C ATOM 874 C TYR A 61 6.037 3.239 -3.952 1.00 51.13 C ATOM 875 O TYR A 61 6.837 3.040 -3.038 1.00 5.41 O ATOM 876 CB TYR A 61 4.125 1.748 -4.564 1.00 24.41 C ATOM 877 CG TYR A 61 3.181 2.921 -4.702 1.00 51.43 C ATOM 878 CD1 TYR A 61 3.047 3.854 -3.680 1.00 31.02 C ATOM 879 CD2 TYR A 61 2.423 3.098 -5.853 1.00 71.11 C ATOM 880 CE1 TYR A 61 2.187 4.928 -3.801 1.00 64.30 C ATOM 881 CE2 TYR A 61 1.561 4.169 -5.983 1.00 4.41 C ATOM 882 CZ TYR A 61 1.445 5.081 -4.954 1.00 14.03 C ATOM 883 OH TYR A 61 0.587 6.148 -5.079 1.00 5.13 O ATOM 0 H TYR A 61 6.384 0.508 -3.749 1.00 14.35 H new ATOM 0 HA TYR A 61 5.671 2.424 -5.893 1.00 10.33 H new ATOM 0 HB2 TYR A 61 3.807 0.955 -5.241 1.00 24.41 H new ATOM 0 HB3 TYR A 61 4.052 1.351 -3.552 1.00 24.41 H new ATOM 0 HD1 TYR A 61 3.626 3.737 -2.776 1.00 31.02 H new ATOM 0 HD2 TYR A 61 2.509 2.386 -6.660 1.00 71.11 H new ATOM 0 HE1 TYR A 61 2.096 5.644 -2.998 1.00 64.30 H new ATOM 0 HE2 TYR A 61 0.981 4.292 -6.885 1.00 4.41 H new ATOM 0 HH TYR A 61 0.750 6.785 -4.353 1.00 5.13 H new ATOM 892 N GLN A 62 5.519 4.435 -4.213 1.00 0.45 N ATOM 893 CA GLN A 62 5.869 5.609 -3.423 1.00 60.24 C ATOM 894 C GLN A 62 4.679 6.556 -3.296 1.00 34.41 C ATOM 895 O GLN A 62 4.193 7.090 -4.292 1.00 51.42 O ATOM 896 CB GLN A 62 7.053 6.341 -4.055 1.00 13.31 C ATOM 897 CG GLN A 62 7.126 7.814 -3.686 1.00 74.31 C ATOM 898 CD GLN A 62 7.463 8.034 -2.224 1.00 35.54 C ATOM 899 OE1 GLN A 62 6.440 8.058 -1.378 1.00 3.33 O flip ATOM 900 NE2 GLN A 62 8.630 8.181 -1.859 1.00 63.45 N flip ATOM 0 H GLN A 62 4.855 4.616 -4.966 1.00 0.45 H new ATOM 0 HA GLN A 62 6.150 5.273 -2.425 1.00 60.24 H new ATOM 0 HB2 GLN A 62 7.977 5.852 -3.748 1.00 13.31 H new ATOM 0 HB3 GLN A 62 6.989 6.250 -5.139 1.00 13.31 H new ATOM 0 HG2 GLN A 62 7.878 8.303 -4.306 1.00 74.31 H new ATOM 0 HG3 GLN A 62 6.171 8.288 -3.910 1.00 74.31 H new ATOM 0 HE21 GLN A 62 9.386 8.155 -2.544 1.00 63.45 H new ATOM 0 HE22 GLN A 62 8.841 8.328 -0.872 1.00 63.45 H new ATOM 907 N GLU A 63 4.217 6.756 -2.066 1.00 31.30 N ATOM 908 CA GLU A 63 3.083 7.637 -1.812 1.00 55.30 C ATOM 909 C GLU A 63 3.539 8.927 -1.135 1.00 65.43 C ATOM 910 O GLU A 63 4.284 8.896 -0.155 1.00 34.13 O ATOM 911 CB GLU A 63 2.044 6.929 -0.940 1.00 64.20 C ATOM 912 CG GLU A 63 0.622 7.068 -1.455 1.00 2.05 C ATOM 913 CD GLU A 63 0.400 8.359 -2.219 1.00 55.42 C ATOM 914 OE1 GLU A 63 0.222 9.410 -1.568 1.00 44.33 O ATOM 915 OE2 GLU A 63 0.408 8.320 -3.467 1.00 2.33 O ATOM 0 H GLU A 63 4.610 6.321 -1.231 1.00 31.30 H new ATOM 0 HA GLU A 63 2.629 7.890 -2.770 1.00 55.30 H new ATOM 0 HB2 GLU A 63 2.296 5.871 -0.876 1.00 64.20 H new ATOM 0 HB3 GLU A 63 2.096 7.331 0.072 1.00 64.20 H new ATOM 0 HG2 GLU A 63 0.390 6.223 -2.103 1.00 2.05 H new ATOM 0 HG3 GLU A 63 -0.070 7.024 -0.614 1.00 2.05 H new ATOM 920 N SER A 64 3.084 10.058 -1.663 1.00 3.41 N ATOM 921 CA SER A 64 3.446 11.359 -1.113 1.00 34.33 C ATOM 922 C SER A 64 2.247 12.018 -0.439 1.00 12.12 C ATOM 923 O SER A 64 1.465 12.716 -1.084 1.00 33.32 O ATOM 924 CB SER A 64 3.990 12.269 -2.216 1.00 40.51 C ATOM 925 OG SER A 64 3.014 12.496 -3.218 1.00 74.14 O ATOM 0 H SER A 64 2.464 10.100 -2.472 1.00 3.41 H new ATOM 0 HA SER A 64 4.222 11.205 -0.363 1.00 34.33 H new ATOM 0 HB2 SER A 64 4.302 13.221 -1.786 1.00 40.51 H new ATOM 0 HB3 SER A 64 4.875 11.816 -2.662 1.00 40.51 H new ATOM 0 HG SER A 64 2.168 12.757 -2.798 1.00 74.14 H new ATOM 930 N GLY A 65 2.108 11.791 0.864 1.00 33.14 N ATOM 931 CA GLY A 65 1.002 12.368 1.604 1.00 21.04 C ATOM 932 C GLY A 65 -0.298 11.621 1.381 1.00 73.11 C ATOM 933 O GLY A 65 -0.939 11.773 0.341 1.00 2.00 O ATOM 0 H GLY A 65 2.742 11.217 1.420 1.00 33.14 H new ATOM 0 HA2 GLY A 65 1.240 12.366 2.668 1.00 21.04 H new ATOM 0 HA3 GLY A 65 0.875 13.409 1.308 1.00 21.04 H new ATOM 937 N ASP A 66 -0.687 10.810 2.358 1.00 42.30 N ATOM 938 CA ASP A 66 -1.918 10.035 2.264 1.00 64.20 C ATOM 939 C ASP A 66 -3.007 10.829 1.547 1.00 61.32 C ATOM 940 O ASP A 66 -3.602 11.740 2.119 1.00 41.30 O ATOM 941 CB ASP A 66 -2.400 9.631 3.659 1.00 32.42 C ATOM 942 CG ASP A 66 -3.912 9.574 3.754 1.00 63.35 C ATOM 943 OD1 ASP A 66 -4.546 9.035 2.824 1.00 51.12 O ATOM 944 OD2 ASP A 66 -4.462 10.069 4.762 1.00 10.23 O ATOM 0 H ASP A 66 -0.167 10.672 3.225 1.00 42.30 H new ATOM 0 HA ASP A 66 -1.708 9.135 1.686 1.00 64.20 H new ATOM 0 HB2 ASP A 66 -1.986 8.656 3.915 1.00 32.42 H new ATOM 0 HB3 ASP A 66 -2.019 10.342 4.392 1.00 32.42 H new ATOM 948 N ASN A 67 -3.259 10.476 0.291 1.00 32.23 N ATOM 949 CA ASN A 67 -4.275 11.156 -0.505 1.00 53.54 C ATOM 950 C ASN A 67 -5.311 10.166 -1.028 1.00 72.34 C ATOM 951 O ASN A 67 -5.029 8.977 -1.176 1.00 40.51 O ATOM 952 CB ASN A 67 -3.623 11.895 -1.675 1.00 1.13 C ATOM 953 CG ASN A 67 -4.388 13.144 -2.069 1.00 43.32 C ATOM 954 OD1 ASN A 67 -4.673 13.366 -3.246 1.00 51.45 O ATOM 955 ND2 ASN A 67 -4.725 13.967 -1.082 1.00 70.21 N ATOM 0 H ASN A 67 -2.774 9.723 -0.198 1.00 32.23 H new ATOM 0 HA ASN A 67 -4.781 11.877 0.136 1.00 53.54 H new ATOM 0 HB2 ASN A 67 -2.602 12.167 -1.406 1.00 1.13 H new ATOM 0 HB3 ASN A 67 -3.559 11.226 -2.533 1.00 1.13 H new ATOM 0 HD21 ASN A 67 -5.241 14.823 -1.285 1.00 70.21 H new ATOM 0 HD22 ASN A 67 -4.468 13.743 -0.121 1.00 70.21 H new ATOM 961 N ALA A 68 -6.511 10.665 -1.306 1.00 73.23 N ATOM 962 CA ALA A 68 -7.588 9.825 -1.813 1.00 34.25 C ATOM 963 C ALA A 68 -7.345 9.441 -3.270 1.00 40.33 C ATOM 964 O ALA A 68 -6.938 10.261 -4.093 1.00 62.44 O ATOM 965 CB ALA A 68 -8.925 10.538 -1.670 1.00 32.31 C ATOM 0 H ALA A 68 -6.761 11.647 -1.188 1.00 73.23 H new ATOM 0 HA ALA A 68 -7.611 8.910 -1.222 1.00 34.25 H new ATOM 0 HB1 ALA A 68 -9.721 9.899 -2.053 1.00 32.31 H new ATOM 0 HB2 ALA A 68 -9.110 10.757 -0.618 1.00 32.31 H new ATOM 0 HB3 ALA A 68 -8.903 11.469 -2.236 1.00 32.31 H new ATOM 971 N PRO A 69 -7.598 8.165 -3.596 1.00 3.35 N ATOM 972 CA PRO A 69 -7.413 7.643 -4.954 1.00 43.44 C ATOM 973 C PRO A 69 -8.440 8.201 -5.933 1.00 71.24 C ATOM 974 O PRO A 69 -9.427 7.539 -6.256 1.00 2.54 O ATOM 975 CB PRO A 69 -7.602 6.134 -4.782 1.00 52.51 C ATOM 976 CG PRO A 69 -8.460 5.994 -3.573 1.00 54.35 C ATOM 977 CD PRO A 69 -8.085 7.134 -2.665 1.00 75.42 C ATOM 0 HA PRO A 69 -6.444 7.920 -5.370 1.00 43.44 H new ATOM 0 HB2 PRO A 69 -8.077 5.692 -5.658 1.00 52.51 H new ATOM 0 HB3 PRO A 69 -6.646 5.628 -4.649 1.00 52.51 H new ATOM 0 HG2 PRO A 69 -9.517 6.037 -3.837 1.00 54.35 H new ATOM 0 HG3 PRO A 69 -8.292 5.034 -3.084 1.00 54.35 H new ATOM 0 HD2 PRO A 69 -8.940 7.486 -2.087 1.00 75.42 H new ATOM 0 HD3 PRO A 69 -7.316 6.842 -1.950 1.00 75.42 H new ATOM 982 N SER A 70 -8.202 9.421 -6.404 1.00 50.32 N ATOM 983 CA SER A 70 -9.108 10.069 -7.345 1.00 64.23 C ATOM 984 C SER A 70 -8.730 9.730 -8.783 1.00 21.55 C ATOM 985 O SER A 70 -9.404 10.142 -9.728 1.00 65.32 O ATOM 986 CB SER A 70 -9.087 11.585 -7.144 1.00 71.20 C ATOM 987 OG SER A 70 -10.391 12.131 -7.246 1.00 72.41 O ATOM 0 H SER A 70 -7.389 9.981 -6.149 1.00 50.32 H new ATOM 0 HA SER A 70 -10.115 9.699 -7.155 1.00 64.23 H new ATOM 0 HB2 SER A 70 -8.667 11.820 -6.166 1.00 71.20 H new ATOM 0 HB3 SER A 70 -8.437 12.045 -7.889 1.00 71.20 H new ATOM 0 HG SER A 70 -10.351 13.101 -7.112 1.00 72.41 H new ATOM 992 N TYR A 71 -7.649 8.975 -8.942 1.00 32.33 N ATOM 993 CA TYR A 71 -7.179 8.582 -10.265 1.00 61.50 C ATOM 994 C TYR A 71 -6.866 7.089 -10.311 1.00 72.45 C ATOM 995 O TYR A 71 -6.875 6.410 -9.284 1.00 65.21 O ATOM 996 CB TYR A 71 -5.936 9.387 -10.648 1.00 24.44 C ATOM 997 CG TYR A 71 -4.902 9.463 -9.550 1.00 53.33 C ATOM 998 CD1 TYR A 71 -4.403 8.309 -8.956 1.00 41.20 C ATOM 999 CD2 TYR A 71 -4.422 10.689 -9.103 1.00 33.21 C ATOM 1000 CE1 TYR A 71 -3.458 8.374 -7.951 1.00 60.11 C ATOM 1001 CE2 TYR A 71 -3.476 10.762 -8.099 1.00 53.42 C ATOM 1002 CZ TYR A 71 -2.997 9.603 -7.527 1.00 71.04 C ATOM 1003 OH TYR A 71 -2.055 9.672 -6.526 1.00 44.43 O ATOM 0 H TYR A 71 -7.082 8.623 -8.171 1.00 32.33 H new ATOM 0 HA TYR A 71 -7.974 8.791 -10.981 1.00 61.50 H new ATOM 0 HB2 TYR A 71 -5.482 8.940 -11.532 1.00 24.44 H new ATOM 0 HB3 TYR A 71 -6.238 10.398 -10.921 1.00 24.44 H new ATOM 0 HD1 TYR A 71 -4.761 7.345 -9.286 1.00 41.20 H new ATOM 0 HD2 TYR A 71 -4.795 11.600 -9.548 1.00 33.21 H new ATOM 0 HE1 TYR A 71 -3.082 7.468 -7.500 1.00 60.11 H new ATOM 0 HE2 TYR A 71 -3.113 11.723 -7.764 1.00 53.42 H new ATOM 0 HH TYR A 71 -1.837 10.610 -6.346 1.00 44.43 H new ATOM 1012 N SER A 72 -6.587 6.586 -11.508 1.00 74.40 N ATOM 1013 CA SER A 72 -6.272 5.173 -11.690 1.00 43.15 C ATOM 1014 C SER A 72 -4.875 4.855 -11.166 1.00 23.15 C ATOM 1015 O SER A 72 -4.009 5.725 -11.068 1.00 41.03 O ATOM 1016 CB SER A 72 -6.375 4.792 -13.168 1.00 33.01 C ATOM 1017 OG SER A 72 -5.751 5.765 -13.989 1.00 31.33 O ATOM 0 H SER A 72 -6.572 7.135 -12.367 1.00 74.40 H new ATOM 0 HA SER A 72 -6.995 4.589 -11.121 1.00 43.15 H new ATOM 0 HB2 SER A 72 -5.908 3.821 -13.330 1.00 33.01 H new ATOM 0 HB3 SER A 72 -7.423 4.692 -13.449 1.00 33.01 H new ATOM 0 HG SER A 72 -5.828 5.498 -14.929 1.00 31.33 H new ATOM 1022 N PRO A 73 -4.649 3.579 -10.821 1.00 44.20 N ATOM 1023 CA PRO A 73 -3.360 3.115 -10.302 1.00 51.32 C ATOM 1024 C PRO A 73 -2.269 3.123 -11.368 1.00 23.32 C ATOM 1025 O PRO A 73 -2.525 2.910 -12.553 1.00 23.04 O ATOM 1026 CB PRO A 73 -3.654 1.684 -9.847 1.00 10.23 C ATOM 1027 CG PRO A 73 -4.813 1.254 -10.678 1.00 64.31 C ATOM 1028 CD PRO A 73 -5.637 2.490 -10.912 1.00 50.23 C ATOM 0 HA PRO A 73 -2.985 3.760 -9.507 1.00 51.32 H new ATOM 0 HB2 PRO A 73 -2.793 1.034 -10.002 1.00 10.23 H new ATOM 0 HB3 PRO A 73 -3.893 1.648 -8.784 1.00 10.23 H new ATOM 0 HG2 PRO A 73 -4.478 0.824 -11.622 1.00 64.31 H new ATOM 0 HG3 PRO A 73 -5.396 0.487 -10.168 1.00 64.31 H new ATOM 0 HD2 PRO A 73 -6.125 2.470 -11.887 1.00 50.23 H new ATOM 0 HD3 PRO A 73 -6.423 2.597 -10.165 1.00 50.23 H new ATOM 1033 N PRO A 74 -1.023 3.373 -10.939 1.00 61.40 N ATOM 1034 CA PRO A 74 0.131 3.412 -11.842 1.00 50.54 C ATOM 1035 C PRO A 74 0.490 2.033 -12.386 1.00 50.51 C ATOM 1036 O PRO A 74 0.202 1.004 -11.774 1.00 5.04 O ATOM 1037 CB PRO A 74 1.258 3.946 -10.954 1.00 42.21 C ATOM 1038 CG PRO A 74 0.857 3.573 -9.568 1.00 73.33 C ATOM 1039 CD PRO A 74 -0.645 3.635 -9.541 1.00 0.11 C ATOM 0 HA PRO A 74 -0.062 4.023 -12.724 1.00 50.54 H new ATOM 0 HB2 PRO A 74 2.217 3.502 -11.222 1.00 42.21 H new ATOM 0 HB3 PRO A 74 1.366 5.026 -11.058 1.00 42.21 H new ATOM 0 HG2 PRO A 74 1.211 2.574 -9.315 1.00 73.33 H new ATOM 0 HG3 PRO A 74 1.289 4.258 -8.839 1.00 73.33 H new ATOM 0 HD2 PRO A 74 -1.066 2.891 -8.865 1.00 0.11 H new ATOM 0 HD3 PRO A 74 -1.001 4.609 -9.204 1.00 0.11 H new ATOM 1044 N PRO A 75 1.134 2.009 -13.562 1.00 72.13 N ATOM 1045 CA PRO A 75 1.547 0.762 -14.212 1.00 2.14 C ATOM 1046 C PRO A 75 2.679 0.066 -13.467 1.00 54.52 C ATOM 1047 O PRO A 75 3.724 0.655 -13.184 1.00 4.11 O ATOM 1048 CB PRO A 75 2.020 1.223 -15.593 1.00 31.23 C ATOM 1049 CG PRO A 75 2.428 2.642 -15.400 1.00 3.22 C ATOM 1050 CD PRO A 75 1.511 3.198 -14.346 1.00 63.23 C ATOM 0 HA PRO A 75 0.738 0.032 -14.244 1.00 2.14 H new ATOM 0 HB2 PRO A 75 2.853 0.617 -15.949 1.00 31.23 H new ATOM 0 HB3 PRO A 75 1.224 1.137 -16.333 1.00 31.23 H new ATOM 0 HG2 PRO A 75 3.470 2.709 -15.086 1.00 3.22 H new ATOM 0 HG3 PRO A 75 2.339 3.203 -16.330 1.00 3.22 H new ATOM 0 HD2 PRO A 75 2.013 3.944 -13.729 1.00 63.23 H new ATOM 0 HD3 PRO A 75 0.639 3.682 -14.786 1.00 63.23 H new ATOM 1055 N PRO A 76 2.472 -1.218 -13.139 1.00 0.12 N ATOM 1056 CA PRO A 76 3.465 -2.023 -12.422 1.00 53.41 C ATOM 1057 C PRO A 76 4.686 -2.337 -13.280 1.00 42.00 C ATOM 1058 O PRO A 76 4.704 -2.097 -14.488 1.00 62.44 O ATOM 1059 CB PRO A 76 2.705 -3.307 -12.083 1.00 2.11 C ATOM 1060 CG PRO A 76 1.639 -3.400 -13.119 1.00 2.24 C ATOM 1061 CD PRO A 76 1.252 -1.983 -13.443 1.00 21.14 C ATOM 0 HA PRO A 76 3.858 -1.502 -11.549 1.00 53.41 H new ATOM 0 HB2 PRO A 76 3.363 -4.176 -12.112 1.00 2.11 H new ATOM 0 HB3 PRO A 76 2.280 -3.263 -11.080 1.00 2.11 H new ATOM 0 HG2 PRO A 76 2.002 -3.918 -14.007 1.00 2.24 H new ATOM 0 HG3 PRO A 76 0.783 -3.963 -12.748 1.00 2.24 H new ATOM 0 HD2 PRO A 76 0.960 -1.875 -14.488 1.00 21.14 H new ATOM 0 HD3 PRO A 76 0.408 -1.649 -12.840 1.00 21.14 H new ATOM 1066 N PRO A 77 5.732 -2.886 -12.645 1.00 33.51 N ATOM 1067 CA PRO A 77 6.975 -3.247 -13.332 1.00 0.21 C ATOM 1068 C PRO A 77 6.796 -4.435 -14.271 1.00 21.41 C ATOM 1069 O PRO A 77 5.697 -4.687 -14.765 1.00 33.52 O ATOM 1070 CB PRO A 77 7.922 -3.610 -12.186 1.00 21.23 C ATOM 1071 CG PRO A 77 7.025 -4.032 -11.074 1.00 54.45 C ATOM 1072 CD PRO A 77 5.780 -3.200 -11.206 1.00 34.04 C ATOM 0 HA PRO A 77 7.340 -2.438 -13.965 1.00 0.21 H new ATOM 0 HB2 PRO A 77 8.602 -4.412 -12.473 1.00 21.23 H new ATOM 0 HB3 PRO A 77 8.538 -2.759 -11.897 1.00 21.23 H new ATOM 0 HG2 PRO A 77 6.793 -5.095 -11.142 1.00 54.45 H new ATOM 0 HG3 PRO A 77 7.501 -3.871 -10.107 1.00 54.45 H new ATOM 0 HD2 PRO A 77 4.894 -3.748 -10.884 1.00 34.04 H new ATOM 0 HD3 PRO A 77 5.834 -2.296 -10.599 1.00 34.04 H new