USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=19 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 160:sc= -9.3! (180deg=-13.4!) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00969) 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 : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 21 SER OG : rot -96:sc= -0.215! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -6.09! C(o=-6.1!,f=-5.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.642 F(o=-3.9!,f=-0.64) USER MOD Single : A 35 GLN :FLIP amide:sc= -2.41! C(o=-5.6!,f=-2.4!) USER MOD Single : A 42 TYR OH : rot -84:sc= 0.0358 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 51:sc= 1.19 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 -161:sc= 0.206 USER MOD Single : A 62 GLN :FLIP amide:sc= -2.73 F(o=-8.4!,f=-2.7) USER MOD Single : A 64 SER OG : rot 36:sc= 0.818 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.55 F(o=-1.3,f=-0.55) 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 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.522 10.039 3.856 1.00 41.51 N ATOM 73 CA GLU A 7 4.743 9.385 2.571 1.00 51.12 C ATOM 74 C GLU A 7 4.912 7.880 2.750 1.00 71.31 C ATOM 75 O GLU A 7 5.896 7.417 3.328 1.00 10.14 O ATOM 76 CB GLU A 7 5.978 9.970 1.882 1.00 10.42 C ATOM 77 CG GLU A 7 7.139 10.225 2.827 1.00 72.31 C ATOM 78 CD GLU A 7 7.303 11.693 3.168 1.00 43.55 C ATOM 79 OE1 GLU A 7 6.842 12.542 2.377 1.00 73.42 O ATOM 80 OE2 GLU A 7 7.892 11.993 4.229 1.00 24.13 O ATOM 0 HA GLU A 7 3.868 9.563 1.945 1.00 51.12 H new ATOM 0 HB2 GLU A 7 6.303 9.287 1.097 1.00 10.42 H new ATOM 0 HB3 GLU A 7 5.703 10.907 1.397 1.00 10.42 H new ATOM 0 HG2 GLU A 7 6.986 9.658 3.745 1.00 72.31 H new ATOM 0 HG3 GLU A 7 8.059 9.856 2.374 1.00 72.31 H new ATOM 85 N VAL A 8 3.944 7.118 2.248 1.00 41.15 N ATOM 86 CA VAL A 8 3.985 5.664 2.351 1.00 62.45 C ATOM 87 C VAL A 8 4.624 5.044 1.115 1.00 35.22 C ATOM 88 O VAL A 8 4.233 5.337 -0.016 1.00 65.52 O ATOM 89 CB VAL A 8 2.574 5.075 2.536 1.00 63.43 C ATOM 90 CG1 VAL A 8 1.891 4.890 1.190 1.00 20.54 C ATOM 91 CG2 VAL A 8 2.642 3.758 3.294 1.00 71.41 C ATOM 0 H VAL A 8 3.123 7.484 1.766 1.00 41.15 H new ATOM 0 HA VAL A 8 4.588 5.425 3.227 1.00 62.45 H new ATOM 0 HB VAL A 8 1.981 5.776 3.123 1.00 63.43 H new ATOM 0 HG11 VAL A 8 0.895 4.473 1.341 1.00 20.54 H new ATOM 0 HG12 VAL A 8 1.808 5.854 0.689 1.00 20.54 H new ATOM 0 HG13 VAL A 8 2.479 4.210 0.574 1.00 20.54 H new ATOM 0 HG21 VAL A 8 1.636 3.356 3.416 1.00 71.41 H new ATOM 0 HG22 VAL A 8 3.252 3.048 2.735 1.00 71.41 H new ATOM 0 HG23 VAL A 8 3.087 3.925 4.275 1.00 71.41 H new ATOM 101 N THR A 9 5.613 4.182 1.335 1.00 52.32 N ATOM 102 CA THR A 9 6.309 3.520 0.239 1.00 23.11 C ATOM 103 C THR A 9 6.305 2.006 0.422 1.00 35.12 C ATOM 104 O THR A 9 6.445 1.506 1.537 1.00 74.24 O ATOM 105 CB THR A 9 7.764 4.008 0.121 1.00 51.52 C ATOM 106 OG1 THR A 9 8.507 3.623 1.283 1.00 64.32 O ATOM 107 CG2 THR A 9 7.816 5.520 -0.043 1.00 42.01 C ATOM 0 H THR A 9 5.950 3.926 2.263 1.00 52.32 H new ATOM 0 HA THR A 9 5.774 3.775 -0.676 1.00 23.11 H new ATOM 0 HB THR A 9 8.208 3.547 -0.761 1.00 51.52 H new ATOM 0 HG1 THR A 9 9.432 3.936 1.199 1.00 64.32 H new ATOM 0 HG21 THR A 9 8.854 5.842 -0.124 1.00 42.01 H new ATOM 0 HG22 THR A 9 7.275 5.807 -0.945 1.00 42.01 H new ATOM 0 HG23 THR A 9 7.356 5.996 0.823 1.00 42.01 H new ATOM 115 N MET A 10 6.146 1.282 -0.681 1.00 23.15 N ATOM 116 CA MET A 10 6.127 -0.176 -0.643 1.00 1.24 C ATOM 117 C MET A 10 7.302 -0.755 -1.424 1.00 72.31 C ATOM 118 O MET A 10 7.334 -0.693 -2.654 1.00 51.05 O ATOM 119 CB MET A 10 4.810 -0.705 -1.213 1.00 44.31 C ATOM 120 CG MET A 10 3.589 0.073 -0.747 1.00 75.03 C ATOM 121 SD MET A 10 2.206 -0.053 -1.896 1.00 61.02 S ATOM 122 CE MET A 10 2.674 -1.505 -2.833 1.00 70.31 C ATOM 0 H MET A 10 6.028 1.681 -1.612 1.00 23.15 H new ATOM 0 HA MET A 10 6.216 -0.489 0.397 1.00 1.24 H new ATOM 0 HB2 MET A 10 4.856 -0.674 -2.302 1.00 44.31 H new ATOM 0 HB3 MET A 10 4.695 -1.751 -0.928 1.00 44.31 H new ATOM 0 HG2 MET A 10 3.279 -0.296 0.231 1.00 75.03 H new ATOM 0 HG3 MET A 10 3.857 1.122 -0.621 1.00 75.03 H new ATOM 0 HE1 MET A 10 1.794 -1.921 -3.323 1.00 70.31 H new ATOM 0 HE2 MET A 10 3.413 -1.230 -3.586 1.00 70.31 H new ATOM 0 HE3 MET A 10 3.101 -2.250 -2.161 1.00 70.31 H new ATOM 130 N LYS A 11 8.266 -1.318 -0.704 1.00 63.40 N ATOM 131 CA LYS A 11 9.442 -1.910 -1.328 1.00 13.20 C ATOM 132 C LYS A 11 9.215 -3.388 -1.627 1.00 63.31 C ATOM 133 O LYS A 11 8.834 -4.159 -0.746 1.00 43.21 O ATOM 134 CB LYS A 11 10.665 -1.745 -0.422 1.00 3.11 C ATOM 135 CG LYS A 11 11.344 -0.393 -0.556 1.00 21.15 C ATOM 136 CD LYS A 11 12.856 -0.529 -0.590 1.00 33.44 C ATOM 137 CE LYS A 11 13.395 -0.407 -2.007 1.00 53.10 C ATOM 138 NZ LYS A 11 12.915 -1.514 -2.880 1.00 20.11 N ATOM 0 H LYS A 11 8.255 -1.377 0.314 1.00 63.40 H new ATOM 0 HA LYS A 11 9.621 -1.390 -2.269 1.00 13.20 H new ATOM 0 HB2 LYS A 11 10.360 -1.888 0.615 1.00 3.11 H new ATOM 0 HB3 LYS A 11 11.386 -2.529 -0.653 1.00 3.11 H new ATOM 0 HG2 LYS A 11 11.002 0.098 -1.467 1.00 21.15 H new ATOM 0 HG3 LYS A 11 11.054 0.245 0.279 1.00 21.15 H new ATOM 0 HD2 LYS A 11 13.306 0.239 0.039 1.00 33.44 H new ATOM 0 HD3 LYS A 11 13.145 -1.493 -0.171 1.00 33.44 H new ATOM 0 HE2 LYS A 11 13.088 0.549 -2.431 1.00 53.10 H new ATOM 0 HE3 LYS A 11 14.485 -0.410 -1.983 1.00 53.10 H new ATOM 0 HZ1 LYS A 11 13.358 -1.433 -3.818 1.00 20.11 H new ATOM 0 HZ2 LYS A 11 13.170 -2.428 -2.454 1.00 20.11 H new ATOM 0 HZ3 LYS A 11 11.881 -1.455 -2.979 1.00 20.11 H new ATOM 148 N LYS A 12 9.451 -3.779 -2.875 1.00 2.24 N ATOM 149 CA LYS A 12 9.274 -5.164 -3.291 1.00 21.30 C ATOM 150 C LYS A 12 9.720 -6.124 -2.191 1.00 4.24 C ATOM 151 O LYS A 12 10.901 -6.191 -1.854 1.00 3.35 O ATOM 152 CB LYS A 12 10.064 -5.439 -4.572 1.00 72.10 C ATOM 153 CG LYS A 12 9.449 -6.519 -5.446 1.00 42.34 C ATOM 154 CD LYS A 12 9.677 -6.239 -6.922 1.00 72.14 C ATOM 155 CE LYS A 12 10.825 -7.070 -7.475 1.00 15.20 C ATOM 156 NZ LYS A 12 11.238 -6.612 -8.831 1.00 45.33 N ATOM 0 H LYS A 12 9.766 -3.154 -3.617 1.00 2.24 H new ATOM 0 HA LYS A 12 8.213 -5.326 -3.483 1.00 21.30 H new ATOM 0 HB2 LYS A 12 10.139 -4.516 -5.148 1.00 72.10 H new ATOM 0 HB3 LYS A 12 11.080 -5.733 -4.307 1.00 72.10 H new ATOM 0 HG2 LYS A 12 9.880 -7.486 -5.188 1.00 42.34 H new ATOM 0 HG3 LYS A 12 8.379 -6.583 -5.248 1.00 42.34 H new ATOM 0 HD2 LYS A 12 8.766 -6.457 -7.480 1.00 72.14 H new ATOM 0 HD3 LYS A 12 9.892 -5.180 -7.064 1.00 72.14 H new ATOM 0 HE2 LYS A 12 11.676 -7.011 -6.797 1.00 15.20 H new ATOM 0 HE3 LYS A 12 10.526 -8.117 -7.521 1.00 15.20 H new ATOM 0 HZ1 LYS A 12 12.022 -7.203 -9.173 1.00 45.33 H new ATOM 0 HZ2 LYS A 12 10.433 -6.692 -9.485 1.00 45.33 H new ATOM 0 HZ3 LYS A 12 11.547 -5.620 -8.783 1.00 45.33 H new ATOM 166 N GLY A 13 8.766 -6.864 -1.635 1.00 24.13 N ATOM 167 CA GLY A 13 9.080 -7.810 -0.581 1.00 70.11 C ATOM 168 C GLY A 13 8.970 -7.196 0.801 1.00 25.22 C ATOM 169 O GLY A 13 9.935 -7.191 1.565 1.00 70.54 O ATOM 0 H GLY A 13 7.781 -6.825 -1.896 1.00 24.13 H new ATOM 0 HA2 GLY A 13 8.406 -8.664 -0.651 1.00 70.11 H new ATOM 0 HA3 GLY A 13 10.091 -8.190 -0.727 1.00 70.11 H new ATOM 173 N ASP A 14 7.791 -6.674 1.121 1.00 62.23 N ATOM 174 CA ASP A 14 7.557 -6.054 2.421 1.00 51.31 C ATOM 175 C ASP A 14 6.109 -6.244 2.861 1.00 62.34 C ATOM 176 O ASP A 14 5.187 -6.168 2.049 1.00 14.34 O ATOM 177 CB ASP A 14 7.895 -4.564 2.366 1.00 4.53 C ATOM 178 CG ASP A 14 8.644 -4.094 3.597 1.00 61.14 C ATOM 179 OD1 ASP A 14 9.794 -4.537 3.797 1.00 21.22 O ATOM 180 OD2 ASP A 14 8.079 -3.283 4.363 1.00 73.20 O ATOM 0 H ASP A 14 6.983 -6.668 0.499 1.00 62.23 H new ATOM 0 HA ASP A 14 8.206 -6.540 3.150 1.00 51.31 H new ATOM 0 HB2 ASP A 14 8.497 -4.364 1.480 1.00 4.53 H new ATOM 0 HB3 ASP A 14 6.975 -3.989 2.263 1.00 4.53 H new ATOM 184 N ILE A 15 5.916 -6.493 4.152 1.00 74.54 N ATOM 185 CA ILE A 15 4.581 -6.695 4.700 1.00 22.22 C ATOM 186 C ILE A 15 4.033 -5.405 5.302 1.00 14.45 C ATOM 187 O ILE A 15 4.461 -4.976 6.374 1.00 55.02 O ATOM 188 CB ILE A 15 4.575 -7.794 5.779 1.00 31.10 C ATOM 189 CG1 ILE A 15 5.152 -9.095 5.216 1.00 24.12 C ATOM 190 CG2 ILE A 15 3.163 -8.017 6.301 1.00 1.35 C ATOM 191 CD1 ILE A 15 5.699 -10.022 6.278 1.00 64.41 C ATOM 0 H ILE A 15 6.668 -6.560 4.838 1.00 74.54 H new ATOM 0 HA ILE A 15 3.944 -7.007 3.872 1.00 22.22 H new ATOM 0 HB ILE A 15 5.202 -7.470 6.610 1.00 31.10 H new ATOM 0 HG12 ILE A 15 4.375 -9.615 4.656 1.00 24.12 H new ATOM 0 HG13 ILE A 15 5.947 -8.855 4.510 1.00 24.12 H new ATOM 0 HG21 ILE A 15 3.176 -8.797 7.063 1.00 1.35 H new ATOM 0 HG22 ILE A 15 2.785 -7.091 6.735 1.00 1.35 H new ATOM 0 HG23 ILE A 15 2.515 -8.323 5.479 1.00 1.35 H new ATOM 0 HD11 ILE A 15 6.091 -10.923 5.807 1.00 64.41 H new ATOM 0 HD12 ILE A 15 6.499 -9.520 6.823 1.00 64.41 H new ATOM 0 HD13 ILE A 15 4.902 -10.292 6.971 1.00 64.41 H new ATOM 202 N LEU A 16 3.084 -4.790 4.604 1.00 71.24 N ATOM 203 CA LEU A 16 2.475 -3.549 5.070 1.00 15.25 C ATOM 204 C LEU A 16 1.054 -3.793 5.569 1.00 13.12 C ATOM 205 O LEU A 16 0.229 -4.379 4.866 1.00 11.42 O ATOM 206 CB LEU A 16 2.462 -2.511 3.946 1.00 71.45 C ATOM 207 CG LEU A 16 3.628 -2.577 2.959 1.00 11.53 C ATOM 208 CD1 LEU A 16 3.155 -3.083 1.606 1.00 25.21 C ATOM 209 CD2 LEU A 16 4.286 -1.211 2.819 1.00 3.12 C ATOM 0 H LEU A 16 2.720 -5.130 3.714 1.00 71.24 H new ATOM 0 HA LEU A 16 3.071 -3.170 5.900 1.00 15.25 H new ATOM 0 HB2 LEU A 16 1.532 -2.621 3.387 1.00 71.45 H new ATOM 0 HB3 LEU A 16 2.448 -1.518 4.395 1.00 71.45 H new ATOM 0 HG LEU A 16 4.368 -3.277 3.347 1.00 11.53 H new ATOM 0 HD11 LEU A 16 3.999 -3.123 0.917 1.00 25.21 H new ATOM 0 HD12 LEU A 16 2.731 -4.081 1.719 1.00 25.21 H new ATOM 0 HD13 LEU A 16 2.396 -2.409 1.211 1.00 25.21 H new ATOM 0 HD21 LEU A 16 5.114 -1.277 2.113 1.00 3.12 H new ATOM 0 HD22 LEU A 16 3.554 -0.490 2.454 1.00 3.12 H new ATOM 0 HD23 LEU A 16 4.662 -0.887 3.789 1.00 3.12 H new ATOM 220 N THR A 17 0.774 -3.339 6.787 1.00 33.34 N ATOM 221 CA THR A 17 -0.547 -3.506 7.379 1.00 60.23 C ATOM 222 C THR A 17 -1.646 -3.248 6.355 1.00 54.21 C ATOM 223 O THR A 17 -1.696 -2.182 5.738 1.00 62.53 O ATOM 224 CB THR A 17 -0.748 -2.563 8.580 1.00 73.05 C ATOM 225 OG1 THR A 17 0.227 -2.843 9.591 1.00 61.13 O ATOM 226 CG2 THR A 17 -2.145 -2.714 9.160 1.00 24.32 C ATOM 0 H THR A 17 1.445 -2.853 7.382 1.00 33.34 H new ATOM 0 HA THR A 17 -0.610 -4.538 7.723 1.00 60.23 H new ATOM 0 HB THR A 17 -0.626 -1.537 8.232 1.00 73.05 H new ATOM 0 HG1 THR A 17 0.094 -2.238 10.350 1.00 61.13 H new ATOM 0 HG21 THR A 17 -2.262 -2.038 10.007 1.00 24.32 H new ATOM 0 HG22 THR A 17 -2.884 -2.471 8.397 1.00 24.32 H new ATOM 0 HG23 THR A 17 -2.292 -3.741 9.493 1.00 24.32 H new ATOM 234 N LEU A 18 -2.525 -4.227 6.179 1.00 23.44 N ATOM 235 CA LEU A 18 -3.626 -4.105 5.228 1.00 64.54 C ATOM 236 C LEU A 18 -4.632 -3.056 5.692 1.00 33.35 C ATOM 237 O LEU A 18 -5.746 -3.385 6.099 1.00 72.53 O ATOM 238 CB LEU A 18 -4.324 -5.454 5.051 1.00 65.50 C ATOM 239 CG LEU A 18 -5.239 -5.582 3.832 1.00 4.11 C ATOM 240 CD1 LEU A 18 -6.655 -5.151 4.179 1.00 20.21 C ATOM 241 CD2 LEU A 18 -4.699 -4.758 2.672 1.00 75.34 C ATOM 0 H LEU A 18 -2.498 -5.114 6.681 1.00 23.44 H new ATOM 0 HA LEU A 18 -3.213 -3.788 4.270 1.00 64.54 H new ATOM 0 HB2 LEU A 18 -3.561 -6.230 4.991 1.00 65.50 H new ATOM 0 HB3 LEU A 18 -4.913 -5.656 5.945 1.00 65.50 H new ATOM 0 HG LEU A 18 -5.264 -6.629 3.529 1.00 4.11 H new ATOM 0 HD11 LEU A 18 -7.291 -5.249 3.299 1.00 20.21 H new ATOM 0 HD12 LEU A 18 -7.042 -5.783 4.979 1.00 20.21 H new ATOM 0 HD13 LEU A 18 -6.649 -4.112 4.508 1.00 20.21 H new ATOM 0 HD21 LEU A 18 -5.362 -4.861 1.813 1.00 75.34 H new ATOM 0 HD22 LEU A 18 -4.644 -3.710 2.965 1.00 75.34 H new ATOM 0 HD23 LEU A 18 -3.703 -5.113 2.406 1.00 75.34 H new ATOM 252 N LEU A 19 -4.232 -1.791 5.625 1.00 23.11 N ATOM 253 CA LEU A 19 -5.099 -0.692 6.035 1.00 40.13 C ATOM 254 C LEU A 19 -6.407 -0.707 5.249 1.00 54.52 C ATOM 255 O LEU A 19 -6.638 -1.593 4.429 1.00 42.01 O ATOM 256 CB LEU A 19 -4.386 0.648 5.837 1.00 60.45 C ATOM 257 CG LEU A 19 -3.652 1.204 7.058 1.00 75.42 C ATOM 258 CD1 LEU A 19 -2.765 0.136 7.680 1.00 61.50 C ATOM 259 CD2 LEU A 19 -2.830 2.425 6.675 1.00 21.03 C ATOM 0 H LEU A 19 -3.313 -1.501 5.291 1.00 23.11 H new ATOM 0 HA LEU A 19 -5.331 -0.820 7.092 1.00 40.13 H new ATOM 0 HB2 LEU A 19 -3.667 0.538 5.025 1.00 60.45 H new ATOM 0 HB3 LEU A 19 -5.122 1.384 5.514 1.00 60.45 H new ATOM 0 HG LEU A 19 -4.394 1.507 7.797 1.00 75.42 H new ATOM 0 HD11 LEU A 19 -2.251 0.550 8.547 1.00 61.50 H new ATOM 0 HD12 LEU A 19 -3.378 -0.710 7.991 1.00 61.50 H new ATOM 0 HD13 LEU A 19 -2.030 -0.198 6.948 1.00 61.50 H new ATOM 0 HD21 LEU A 19 -2.315 2.808 7.556 1.00 21.03 H new ATOM 0 HD22 LEU A 19 -2.097 2.147 5.918 1.00 21.03 H new ATOM 0 HD23 LEU A 19 -3.489 3.197 6.276 1.00 21.03 H new ATOM 270 N ASN A 20 -7.255 0.283 5.505 1.00 3.25 N ATOM 271 CA ASN A 20 -8.539 0.386 4.820 1.00 74.21 C ATOM 272 C ASN A 20 -8.382 0.110 3.327 1.00 42.54 C ATOM 273 O ASN A 20 -7.867 0.943 2.582 1.00 5.24 O ATOM 274 CB ASN A 20 -9.145 1.774 5.032 1.00 52.30 C ATOM 275 CG ASN A 20 -10.481 1.718 5.748 1.00 3.03 C ATOM 276 OD1 ASN A 20 -10.539 1.557 6.967 1.00 53.03 O ATOM 277 ND2 ASN A 20 -11.564 1.852 4.991 1.00 73.11 N ATOM 0 H ASN A 20 -7.077 1.025 6.181 1.00 3.25 H new ATOM 0 HA ASN A 20 -9.209 -0.363 5.242 1.00 74.21 H new ATOM 0 HB2 ASN A 20 -8.452 2.386 5.609 1.00 52.30 H new ATOM 0 HB3 ASN A 20 -9.274 2.263 4.066 1.00 52.30 H new ATOM 0 HD21 ASN A 20 -12.490 1.823 5.417 1.00 73.11 H new ATOM 0 HD22 ASN A 20 -11.469 1.984 3.984 1.00 73.11 H new ATOM 283 N SER A 21 -8.830 -1.065 2.898 1.00 31.42 N ATOM 284 CA SER A 21 -8.737 -1.453 1.495 1.00 55.53 C ATOM 285 C SER A 21 -10.059 -1.206 0.774 1.00 50.21 C ATOM 286 O SER A 21 -10.361 -1.850 -0.231 1.00 2.23 O ATOM 287 CB SER A 21 -8.346 -2.928 1.376 1.00 40.24 C ATOM 288 OG SER A 21 -6.940 -3.076 1.284 1.00 32.53 O ATOM 0 H SER A 21 -9.261 -1.765 3.501 1.00 31.42 H new ATOM 0 HA SER A 21 -7.967 -0.841 1.025 1.00 55.53 H new ATOM 0 HB2 SER A 21 -8.717 -3.477 2.242 1.00 40.24 H new ATOM 0 HB3 SER A 21 -8.819 -3.363 0.496 1.00 40.24 H new ATOM 0 HG SER A 21 -6.679 -3.143 0.342 1.00 32.53 H new ATOM 293 N THR A 22 -10.843 -0.267 1.296 1.00 33.44 N ATOM 294 CA THR A 22 -12.133 0.066 0.705 1.00 31.52 C ATOM 295 C THR A 22 -11.999 0.342 -0.789 1.00 53.12 C ATOM 296 O THR A 22 -12.819 -0.105 -1.588 1.00 2.14 O ATOM 297 CB THR A 22 -12.765 1.293 1.388 1.00 52.42 C ATOM 298 OG1 THR A 22 -13.930 1.709 0.668 1.00 55.22 O ATOM 299 CG2 THR A 22 -11.770 2.442 1.462 1.00 13.35 C ATOM 0 H THR A 22 -10.607 0.276 2.127 1.00 33.44 H new ATOM 0 HA THR A 22 -12.781 -0.797 0.855 1.00 31.52 H new ATOM 0 HB THR A 22 -13.048 1.012 2.402 1.00 52.42 H new ATOM 0 HG1 THR A 22 -14.327 2.489 1.110 1.00 55.22 H new ATOM 0 HG21 THR A 22 -12.238 3.298 1.948 1.00 13.35 H new ATOM 0 HG22 THR A 22 -10.897 2.131 2.036 1.00 13.35 H new ATOM 0 HG23 THR A 22 -11.461 2.721 0.455 1.00 13.35 H new ATOM 307 N ASN A 23 -10.957 1.082 -1.157 1.00 61.00 N ATOM 308 CA ASN A 23 -10.715 1.419 -2.555 1.00 20.24 C ATOM 309 C ASN A 23 -10.327 0.178 -3.354 1.00 24.35 C ATOM 310 O ASN A 23 -9.290 -0.437 -3.104 1.00 62.12 O ATOM 311 CB ASN A 23 -9.613 2.474 -2.665 1.00 41.14 C ATOM 312 CG ASN A 23 -10.162 3.853 -2.976 1.00 63.12 C ATOM 313 OD1 ASN A 23 -10.423 4.648 -2.074 1.00 40.33 O ATOM 314 ND2 ASN A 23 -10.341 4.142 -4.260 1.00 60.32 N ATOM 0 H ASN A 23 -10.268 1.459 -0.507 1.00 61.00 H new ATOM 0 HA ASN A 23 -11.638 1.824 -2.970 1.00 20.24 H new ATOM 0 HB2 ASN A 23 -9.054 2.511 -1.730 1.00 41.14 H new ATOM 0 HB3 ASN A 23 -8.910 2.181 -3.445 1.00 41.14 H new ATOM 0 HD21 ASN A 23 -10.709 5.054 -4.531 1.00 60.32 H new ATOM 0 HD22 ASN A 23 -10.111 3.452 -4.975 1.00 60.32 H new ATOM 320 N LYS A 24 -11.167 -0.185 -4.317 1.00 23.32 N ATOM 321 CA LYS A 24 -10.913 -1.351 -5.156 1.00 43.05 C ATOM 322 C LYS A 24 -9.699 -1.124 -6.050 1.00 13.53 C ATOM 323 O LYS A 24 -8.958 -2.058 -6.356 1.00 62.42 O ATOM 324 CB LYS A 24 -12.141 -1.664 -6.014 1.00 74.43 C ATOM 325 CG LYS A 24 -12.773 -3.011 -5.703 1.00 51.40 C ATOM 326 CD LYS A 24 -13.059 -3.798 -6.969 1.00 31.34 C ATOM 327 CE LYS A 24 -12.022 -4.888 -7.195 1.00 3.14 C ATOM 328 NZ LYS A 24 -11.351 -4.750 -8.518 1.00 71.14 N ATOM 0 H LYS A 24 -12.030 0.312 -4.536 1.00 23.32 H new ATOM 0 HA LYS A 24 -10.707 -2.200 -4.503 1.00 43.05 H new ATOM 0 HB2 LYS A 24 -12.885 -0.881 -5.868 1.00 74.43 H new ATOM 0 HB3 LYS A 24 -11.855 -1.640 -7.066 1.00 74.43 H new ATOM 0 HG2 LYS A 24 -12.108 -3.586 -5.059 1.00 51.40 H new ATOM 0 HG3 LYS A 24 -13.700 -2.860 -5.150 1.00 51.40 H new ATOM 0 HD2 LYS A 24 -14.051 -4.246 -6.904 1.00 31.34 H new ATOM 0 HD3 LYS A 24 -13.070 -3.122 -7.824 1.00 31.34 H new ATOM 0 HE2 LYS A 24 -11.274 -4.848 -6.403 1.00 3.14 H new ATOM 0 HE3 LYS A 24 -12.502 -5.865 -7.131 1.00 3.14 H new ATOM 0 HZ1 LYS A 24 -10.652 -5.511 -8.634 1.00 71.14 H new ATOM 0 HZ2 LYS A 24 -12.061 -4.814 -9.276 1.00 71.14 H new ATOM 0 HZ3 LYS A 24 -10.871 -3.829 -8.570 1.00 71.14 H new ATOM 338 N ASP A 25 -9.500 0.123 -6.464 1.00 33.13 N ATOM 339 CA ASP A 25 -8.373 0.473 -7.321 1.00 13.14 C ATOM 340 C ASP A 25 -7.178 0.928 -6.489 1.00 35.11 C ATOM 341 O ASP A 25 -6.121 1.255 -7.029 1.00 22.25 O ATOM 342 CB ASP A 25 -8.775 1.574 -8.303 1.00 75.02 C ATOM 343 CG ASP A 25 -9.985 1.194 -9.134 1.00 3.55 C ATOM 344 OD1 ASP A 25 -11.118 1.320 -8.623 1.00 75.14 O ATOM 345 OD2 ASP A 25 -9.800 0.773 -10.295 1.00 41.32 O ATOM 0 H ASP A 25 -10.104 0.908 -6.220 1.00 33.13 H new ATOM 0 HA ASP A 25 -8.085 -0.416 -7.882 1.00 13.14 H new ATOM 0 HB2 ASP A 25 -8.990 2.489 -7.751 1.00 75.02 H new ATOM 0 HB3 ASP A 25 -7.937 1.791 -8.965 1.00 75.02 H new ATOM 349 N TRP A 26 -7.353 0.947 -5.173 1.00 62.23 N ATOM 350 CA TRP A 26 -6.290 1.363 -4.266 1.00 74.24 C ATOM 351 C TRP A 26 -6.496 0.770 -2.876 1.00 51.52 C ATOM 352 O TRP A 26 -7.541 0.967 -2.257 1.00 33.10 O ATOM 353 CB TRP A 26 -6.232 2.889 -4.180 1.00 40.12 C ATOM 354 CG TRP A 26 -5.819 3.540 -5.465 1.00 2.41 C ATOM 355 CD1 TRP A 26 -6.593 3.730 -6.573 1.00 10.34 C ATOM 356 CD2 TRP A 26 -4.533 4.088 -5.773 1.00 55.04 C ATOM 357 NE1 TRP A 26 -5.866 4.361 -7.553 1.00 1.50 N ATOM 358 CE2 TRP A 26 -4.599 4.593 -7.087 1.00 41.12 C ATOM 359 CE3 TRP A 26 -3.332 4.202 -5.067 1.00 43.11 C ATOM 360 CZ2 TRP A 26 -3.509 5.200 -7.706 1.00 0.11 C ATOM 361 CZ3 TRP A 26 -2.252 4.805 -5.683 1.00 13.11 C ATOM 362 CH2 TRP A 26 -2.347 5.298 -6.991 1.00 15.34 C ATOM 0 H TRP A 26 -8.221 0.679 -4.710 1.00 62.23 H new ATOM 0 HA TRP A 26 -5.344 0.993 -4.661 1.00 74.24 H new ATOM 0 HB2 TRP A 26 -7.212 3.267 -3.888 1.00 40.12 H new ATOM 0 HB3 TRP A 26 -5.533 3.175 -3.395 1.00 40.12 H new ATOM 0 HD1 TRP A 26 -7.626 3.428 -6.666 1.00 10.34 H new ATOM 0 HE1 TRP A 26 -6.213 4.615 -8.478 1.00 1.50 H new ATOM 0 HE3 TRP A 26 -3.250 3.826 -4.058 1.00 43.11 H new ATOM 0 HZ2 TRP A 26 -3.579 5.580 -8.715 1.00 0.11 H new ATOM 0 HZ3 TRP A 26 -1.319 4.898 -5.147 1.00 13.11 H new ATOM 0 HH2 TRP A 26 -1.485 5.765 -7.444 1.00 15.34 H new ATOM 372 N TRP A 27 -5.494 0.045 -2.392 1.00 33.01 N ATOM 373 CA TRP A 27 -5.567 -0.576 -1.075 1.00 41.31 C ATOM 374 C TRP A 27 -4.678 0.160 -0.076 1.00 2.14 C ATOM 375 O TRP A 27 -3.451 0.103 -0.163 1.00 64.44 O ATOM 376 CB TRP A 27 -5.154 -2.046 -1.157 1.00 11.30 C ATOM 377 CG TRP A 27 -6.316 -2.983 -1.286 1.00 32.05 C ATOM 378 CD1 TRP A 27 -7.588 -2.664 -1.668 1.00 33.15 C ATOM 379 CD2 TRP A 27 -6.313 -4.392 -1.032 1.00 12.53 C ATOM 380 NE1 TRP A 27 -8.376 -3.790 -1.667 1.00 12.23 N ATOM 381 CE2 TRP A 27 -7.617 -4.863 -1.281 1.00 13.40 C ATOM 382 CE3 TRP A 27 -5.336 -5.302 -0.620 1.00 73.20 C ATOM 383 CZ2 TRP A 27 -7.966 -6.202 -1.129 1.00 22.33 C ATOM 384 CZ3 TRP A 27 -5.684 -6.631 -0.470 1.00 31.01 C ATOM 385 CH2 TRP A 27 -6.989 -7.071 -0.725 1.00 45.20 C ATOM 0 H TRP A 27 -4.622 -0.127 -2.892 1.00 33.01 H new ATOM 0 HA TRP A 27 -6.599 -0.515 -0.729 1.00 41.31 H new ATOM 0 HB2 TRP A 27 -4.490 -2.182 -2.011 1.00 11.30 H new ATOM 0 HB3 TRP A 27 -4.584 -2.306 -0.265 1.00 11.30 H new ATOM 0 HD1 TRP A 27 -7.925 -1.672 -1.932 1.00 33.15 H new ATOM 0 HE1 TRP A 27 -9.365 -3.822 -1.914 1.00 12.23 H new ATOM 0 HE3 TRP A 27 -4.327 -4.973 -0.422 1.00 73.20 H new ATOM 0 HZ2 TRP A 27 -8.972 -6.543 -1.323 1.00 22.33 H new ATOM 0 HZ3 TRP A 27 -4.937 -7.343 -0.151 1.00 31.01 H new ATOM 0 HH2 TRP A 27 -7.229 -8.117 -0.600 1.00 45.20 H new ATOM 395 N LYS A 28 -5.305 0.850 0.870 1.00 43.44 N ATOM 396 CA LYS A 28 -4.572 1.596 1.886 1.00 64.23 C ATOM 397 C LYS A 28 -3.667 0.670 2.693 1.00 50.12 C ATOM 398 O LYS A 28 -4.086 -0.403 3.125 1.00 35.33 O ATOM 399 CB LYS A 28 -5.546 2.315 2.822 1.00 4.24 C ATOM 400 CG LYS A 28 -4.941 3.521 3.519 1.00 42.14 C ATOM 401 CD LYS A 28 -5.816 4.000 4.666 1.00 12.43 C ATOM 402 CE LYS A 28 -5.546 5.459 5.002 1.00 34.12 C ATOM 403 NZ LYS A 28 -5.954 5.792 6.395 1.00 1.04 N ATOM 0 H LYS A 28 -6.320 0.908 0.955 1.00 43.44 H new ATOM 0 HA LYS A 28 -3.950 2.335 1.381 1.00 64.23 H new ATOM 0 HB2 LYS A 28 -6.417 2.635 2.250 1.00 4.24 H new ATOM 0 HB3 LYS A 28 -5.900 1.611 3.575 1.00 4.24 H new ATOM 0 HG2 LYS A 28 -3.951 3.265 3.898 1.00 42.14 H new ATOM 0 HG3 LYS A 28 -4.808 4.329 2.800 1.00 42.14 H new ATOM 0 HD2 LYS A 28 -6.866 3.875 4.401 1.00 12.43 H new ATOM 0 HD3 LYS A 28 -5.634 3.383 5.546 1.00 12.43 H new ATOM 0 HE2 LYS A 28 -4.484 5.671 4.874 1.00 34.12 H new ATOM 0 HE3 LYS A 28 -6.085 6.098 4.303 1.00 34.12 H new ATOM 0 HZ1 LYS A 28 -5.754 6.795 6.585 1.00 1.04 H new ATOM 0 HZ2 LYS A 28 -6.972 5.614 6.510 1.00 1.04 H new ATOM 0 HZ3 LYS A 28 -5.421 5.200 7.064 1.00 1.04 H new ATOM 413 N VAL A 29 -2.423 1.094 2.893 1.00 14.32 N ATOM 414 CA VAL A 29 -1.458 0.305 3.650 1.00 5.14 C ATOM 415 C VAL A 29 -0.522 1.201 4.452 1.00 43.51 C ATOM 416 O VAL A 29 -0.078 2.242 3.967 1.00 2.11 O ATOM 417 CB VAL A 29 -0.620 -0.596 2.724 1.00 22.32 C ATOM 418 CG1 VAL A 29 -1.524 -1.471 1.869 1.00 64.54 C ATOM 419 CG2 VAL A 29 0.299 0.246 1.852 1.00 74.44 C ATOM 0 H VAL A 29 -2.060 1.980 2.541 1.00 14.32 H new ATOM 0 HA VAL A 29 -2.030 -0.322 4.334 1.00 5.14 H new ATOM 0 HB VAL A 29 -0.002 -1.248 3.342 1.00 22.32 H new ATOM 0 HG11 VAL A 29 -0.914 -2.101 1.221 1.00 64.54 H new ATOM 0 HG12 VAL A 29 -2.137 -2.100 2.514 1.00 64.54 H new ATOM 0 HG13 VAL A 29 -2.169 -0.840 1.258 1.00 64.54 H new ATOM 0 HG21 VAL A 29 0.884 -0.406 1.204 1.00 74.44 H new ATOM 0 HG22 VAL A 29 -0.298 0.923 1.242 1.00 74.44 H new ATOM 0 HG23 VAL A 29 0.971 0.826 2.485 1.00 74.44 H new ATOM 429 N GLU A 30 -0.227 0.792 5.681 1.00 64.23 N ATOM 430 CA GLU A 30 0.657 1.559 6.550 1.00 44.14 C ATOM 431 C GLU A 30 2.090 1.045 6.459 1.00 53.12 C ATOM 432 O GLU A 30 2.329 -0.094 6.058 1.00 11.24 O ATOM 433 CB GLU A 30 0.170 1.490 7.999 1.00 4.32 C ATOM 434 CG GLU A 30 1.185 2.001 9.008 1.00 74.23 C ATOM 435 CD GLU A 30 0.748 1.774 10.442 1.00 71.25 C ATOM 436 OE1 GLU A 30 -0.430 1.417 10.653 1.00 62.10 O ATOM 437 OE2 GLU A 30 1.584 1.951 11.352 1.00 43.23 O ATOM 0 H GLU A 30 -0.587 -0.066 6.098 1.00 64.23 H new ATOM 0 HA GLU A 30 0.640 2.597 6.217 1.00 44.14 H new ATOM 0 HB2 GLU A 30 -0.747 2.071 8.093 1.00 4.32 H new ATOM 0 HB3 GLU A 30 -0.081 0.457 8.240 1.00 4.32 H new ATOM 0 HG2 GLU A 30 2.140 1.504 8.840 1.00 74.23 H new ATOM 0 HG3 GLU A 30 1.348 3.067 8.846 1.00 74.23 H new ATOM 442 N VAL A 31 3.042 1.893 6.835 1.00 53.43 N ATOM 443 CA VAL A 31 4.453 1.526 6.797 1.00 54.30 C ATOM 444 C VAL A 31 5.173 1.976 8.064 1.00 25.35 C ATOM 445 O VAL A 31 5.972 2.911 8.037 1.00 33.14 O ATOM 446 CB VAL A 31 5.160 2.139 5.573 1.00 24.35 C ATOM 447 CG1 VAL A 31 6.662 1.917 5.657 1.00 50.00 C ATOM 448 CG2 VAL A 31 4.597 1.555 4.286 1.00 70.32 C ATOM 0 H VAL A 31 2.862 2.840 7.170 1.00 53.43 H new ATOM 0 HA VAL A 31 4.495 0.439 6.725 1.00 54.30 H new ATOM 0 HB VAL A 31 4.976 3.213 5.569 1.00 24.35 H new ATOM 0 HG11 VAL A 31 7.144 2.357 4.784 1.00 50.00 H new ATOM 0 HG12 VAL A 31 7.049 2.387 6.561 1.00 50.00 H new ATOM 0 HG13 VAL A 31 6.871 0.848 5.686 1.00 50.00 H new ATOM 0 HG21 VAL A 31 5.107 1.999 3.431 1.00 70.32 H new ATOM 0 HG22 VAL A 31 4.749 0.476 4.279 1.00 70.32 H new ATOM 0 HG23 VAL A 31 3.531 1.772 4.224 1.00 70.32 H new ATOM 458 N ASN A 32 4.884 1.303 9.172 1.00 22.43 N ATOM 459 CA ASN A 32 5.503 1.633 10.450 1.00 74.33 C ATOM 460 C ASN A 32 4.973 2.959 10.985 1.00 30.01 C ATOM 461 O ASN A 32 4.239 2.993 11.973 1.00 51.05 O ATOM 462 CB ASN A 32 7.024 1.702 10.300 1.00 42.51 C ATOM 463 CG ASN A 32 7.583 0.527 9.522 1.00 14.44 C ATOM 464 OD1 ASN A 32 7.791 0.722 8.225 1.00 13.21 O flip ATOM 465 ND2 ASN A 32 7.824 -0.544 10.080 1.00 72.31 N flip ATOM 0 H ASN A 32 4.225 0.526 9.211 1.00 22.43 H new ATOM 0 HA ASN A 32 5.250 0.847 11.162 1.00 74.33 H new ATOM 0 HB2 ASN A 32 7.295 2.630 9.796 1.00 42.51 H new ATOM 0 HB3 ASN A 32 7.483 1.731 11.288 1.00 42.51 H new ATOM 0 HD21 ASN A 32 7.649 -0.649 11.079 1.00 72.31 H new ATOM 0 HD22 ASN A 32 8.199 -1.326 9.543 1.00 72.31 H new ATOM 471 N ASP A 33 5.349 4.050 10.326 1.00 64.25 N ATOM 472 CA ASP A 33 4.909 5.379 10.734 1.00 2.13 C ATOM 473 C ASP A 33 4.277 6.125 9.563 1.00 21.21 C ATOM 474 O ASP A 33 3.524 7.080 9.757 1.00 12.04 O ATOM 475 CB ASP A 33 6.088 6.181 11.289 1.00 70.52 C ATOM 476 CG ASP A 33 5.993 6.388 12.788 1.00 71.42 C ATOM 477 OD1 ASP A 33 4.913 6.798 13.263 1.00 62.11 O ATOM 478 OD2 ASP A 33 6.998 6.137 13.485 1.00 44.34 O ATOM 0 H ASP A 33 5.957 4.040 9.507 1.00 64.25 H new ATOM 0 HA ASP A 33 4.158 5.263 11.515 1.00 2.13 H new ATOM 0 HB2 ASP A 33 7.018 5.663 11.055 1.00 70.52 H new ATOM 0 HB3 ASP A 33 6.130 7.151 10.793 1.00 70.52 H new ATOM 482 N ARG A 34 4.588 5.684 8.349 1.00 64.35 N ATOM 483 CA ARG A 34 4.052 6.311 7.147 1.00 41.13 C ATOM 484 C ARG A 34 2.942 5.459 6.537 1.00 75.02 C ATOM 485 O ARG A 34 3.149 4.286 6.225 1.00 43.42 O ATOM 486 CB ARG A 34 5.165 6.530 6.120 1.00 65.54 C ATOM 487 CG ARG A 34 6.524 6.799 6.744 1.00 15.12 C ATOM 488 CD ARG A 34 7.651 6.552 5.753 1.00 51.12 C ATOM 489 NE ARG A 34 8.599 7.663 5.714 1.00 72.32 N ATOM 490 CZ ARG A 34 9.861 7.538 5.320 1.00 21.51 C ATOM 491 NH1 ARG A 34 10.324 6.356 4.932 1.00 52.43 N ATOM 492 NH2 ARG A 34 10.663 8.594 5.312 1.00 23.25 N ATOM 0 H ARG A 34 5.209 4.894 8.172 1.00 64.35 H new ATOM 0 HA ARG A 34 3.632 7.277 7.428 1.00 41.13 H new ATOM 0 HB2 ARG A 34 5.236 5.650 5.480 1.00 65.54 H new ATOM 0 HB3 ARG A 34 4.896 7.370 5.479 1.00 65.54 H new ATOM 0 HG2 ARG A 34 6.567 7.830 7.095 1.00 15.12 H new ATOM 0 HG3 ARG A 34 6.658 6.159 7.616 1.00 15.12 H new ATOM 0 HD2 ARG A 34 8.177 5.636 6.023 1.00 51.12 H new ATOM 0 HD3 ARG A 34 7.232 6.398 4.759 1.00 51.12 H new ATOM 0 HE ARG A 34 8.274 8.585 6.005 1.00 72.32 H new ATOM 0 HH11 ARG A 34 9.710 5.541 4.936 1.00 52.43 H new ATOM 0 HH12 ARG A 34 11.294 6.262 4.630 1.00 52.43 H new ATOM 0 HH21 ARG A 34 10.311 9.504 5.609 1.00 23.25 H new ATOM 0 HH22 ARG A 34 11.632 8.496 5.009 1.00 23.25 H new ATOM 503 N GLN A 35 1.768 6.056 6.372 1.00 4.01 N ATOM 504 CA GLN A 35 0.626 5.351 5.802 1.00 21.15 C ATOM 505 C GLN A 35 -0.017 6.169 4.686 1.00 0.21 C ATOM 506 O GLN A 35 0.091 7.395 4.659 1.00 62.43 O ATOM 507 CB GLN A 35 -0.408 5.047 6.887 1.00 51.22 C ATOM 508 CG GLN A 35 0.057 5.413 8.289 1.00 24.54 C ATOM 509 CD GLN A 35 -0.870 4.885 9.366 1.00 70.22 C ATOM 510 OE1 GLN A 35 -0.303 4.195 10.349 1.00 71.31 O flip ATOM 511 NE2 GLN A 35 -2.083 5.094 9.315 1.00 21.44 N flip ATOM 0 H GLN A 35 1.582 7.026 6.625 1.00 4.01 H new ATOM 0 HA GLN A 35 0.985 4.412 5.380 1.00 21.15 H new ATOM 0 HB2 GLN A 35 -1.327 5.590 6.664 1.00 51.22 H new ATOM 0 HB3 GLN A 35 -0.651 3.985 6.859 1.00 51.22 H new ATOM 0 HG2 GLN A 35 1.059 5.016 8.451 1.00 24.54 H new ATOM 0 HG3 GLN A 35 0.126 6.498 8.374 1.00 24.54 H new ATOM 0 HE21 GLN A 35 -2.476 5.630 8.541 1.00 21.44 H new ATOM 0 HE22 GLN A 35 -2.694 4.732 10.047 1.00 21.44 H new ATOM 518 N GLY A 36 -0.686 5.482 3.764 1.00 52.35 N ATOM 519 CA GLY A 36 -1.336 6.161 2.659 1.00 14.13 C ATOM 520 C GLY A 36 -1.994 5.197 1.693 1.00 24.53 C ATOM 521 O GLY A 36 -1.956 3.982 1.893 1.00 53.53 O ATOM 0 H GLY A 36 -0.789 4.467 3.763 1.00 52.35 H new ATOM 0 HA2 GLY A 36 -2.087 6.848 3.050 1.00 14.13 H new ATOM 0 HA3 GLY A 36 -0.601 6.762 2.123 1.00 14.13 H new ATOM 525 N PHE A 37 -2.602 5.737 0.642 1.00 63.41 N ATOM 526 CA PHE A 37 -3.276 4.916 -0.357 1.00 34.31 C ATOM 527 C PHE A 37 -2.287 4.418 -1.407 1.00 34.35 C ATOM 528 O PHE A 37 -1.437 5.171 -1.884 1.00 44.24 O ATOM 529 CB PHE A 37 -4.395 5.712 -1.032 1.00 62.31 C ATOM 530 CG PHE A 37 -5.609 5.890 -0.165 1.00 52.50 C ATOM 531 CD1 PHE A 37 -5.671 6.923 0.758 1.00 33.14 C ATOM 532 CD2 PHE A 37 -6.686 5.027 -0.272 1.00 25.42 C ATOM 533 CE1 PHE A 37 -6.787 7.091 1.556 1.00 61.54 C ATOM 534 CE2 PHE A 37 -7.806 5.190 0.523 1.00 53.43 C ATOM 535 CZ PHE A 37 -7.855 6.222 1.440 1.00 13.31 C ATOM 0 H PHE A 37 -2.642 6.740 0.460 1.00 63.41 H new ATOM 0 HA PHE A 37 -3.708 4.053 0.149 1.00 34.31 H new ATOM 0 HB2 PHE A 37 -4.013 6.693 -1.315 1.00 62.31 H new ATOM 0 HB3 PHE A 37 -4.686 5.206 -1.952 1.00 62.31 H new ATOM 0 HD1 PHE A 37 -4.838 7.604 0.854 1.00 33.14 H new ATOM 0 HD2 PHE A 37 -6.651 4.217 -0.985 1.00 25.42 H new ATOM 0 HE1 PHE A 37 -6.824 7.901 2.270 1.00 61.54 H new ATOM 0 HE2 PHE A 37 -8.641 4.512 0.427 1.00 53.43 H new ATOM 0 HZ PHE A 37 -8.726 6.349 2.065 1.00 13.31 H new ATOM 544 N VAL A 38 -2.403 3.143 -1.764 1.00 23.21 N ATOM 545 CA VAL A 38 -1.521 2.544 -2.758 1.00 34.55 C ATOM 546 C VAL A 38 -2.288 1.594 -3.672 1.00 22.01 C ATOM 547 O VAL A 38 -3.328 1.046 -3.307 1.00 31.45 O ATOM 548 CB VAL A 38 -0.365 1.774 -2.092 1.00 51.33 C ATOM 549 CG1 VAL A 38 0.673 2.742 -1.542 1.00 33.22 C ATOM 550 CG2 VAL A 38 -0.895 0.867 -0.991 1.00 13.23 C ATOM 0 H VAL A 38 -3.100 2.505 -1.379 1.00 23.21 H new ATOM 0 HA VAL A 38 -1.110 3.362 -3.350 1.00 34.55 H new ATOM 0 HB VAL A 38 0.116 1.151 -2.846 1.00 51.33 H new ATOM 0 HG11 VAL A 38 1.482 2.181 -1.075 1.00 33.22 H new ATOM 0 HG12 VAL A 38 1.073 3.347 -2.355 1.00 33.22 H new ATOM 0 HG13 VAL A 38 0.208 3.392 -0.801 1.00 33.22 H new ATOM 0 HG21 VAL A 38 -0.065 0.330 -0.531 1.00 13.23 H new ATOM 0 HG22 VAL A 38 -1.401 1.469 -0.236 1.00 13.23 H new ATOM 0 HG23 VAL A 38 -1.599 0.151 -1.416 1.00 13.23 H new ATOM 560 N PRO A 39 -1.764 1.393 -4.890 1.00 14.34 N ATOM 561 CA PRO A 39 -2.381 0.509 -5.882 1.00 24.12 C ATOM 562 C PRO A 39 -2.283 -0.962 -5.489 1.00 13.12 C ATOM 563 O PRO A 39 -1.187 -1.504 -5.350 1.00 34.21 O ATOM 564 CB PRO A 39 -1.571 0.779 -7.152 1.00 10.14 C ATOM 565 CG PRO A 39 -0.248 1.258 -6.663 1.00 1.13 C ATOM 566 CD PRO A 39 -0.526 2.014 -5.392 1.00 23.23 C ATOM 0 HA PRO A 39 -3.448 0.703 -5.992 1.00 24.12 H new ATOM 0 HB2 PRO A 39 -1.467 -0.123 -7.755 1.00 10.14 H new ATOM 0 HB3 PRO A 39 -2.056 1.527 -7.779 1.00 10.14 H new ATOM 0 HG2 PRO A 39 0.427 0.422 -6.480 1.00 1.13 H new ATOM 0 HG3 PRO A 39 0.232 1.900 -7.402 1.00 1.13 H new ATOM 0 HD2 PRO A 39 0.292 1.914 -4.678 1.00 23.23 H new ATOM 0 HD3 PRO A 39 -0.658 3.080 -5.579 1.00 23.23 H new ATOM 571 N ALA A 40 -3.434 -1.601 -5.314 1.00 42.35 N ATOM 572 CA ALA A 40 -3.477 -3.010 -4.939 1.00 15.43 C ATOM 573 C ALA A 40 -2.657 -3.858 -5.905 1.00 60.43 C ATOM 574 O ALA A 40 -2.298 -4.994 -5.596 1.00 55.33 O ATOM 575 CB ALA A 40 -4.916 -3.500 -4.893 1.00 22.22 C ATOM 0 H ALA A 40 -4.350 -1.166 -5.426 1.00 42.35 H new ATOM 0 HA ALA A 40 -3.040 -3.111 -3.946 1.00 15.43 H new ATOM 0 HB1 ALA A 40 -4.933 -4.553 -4.612 1.00 22.22 H new ATOM 0 HB2 ALA A 40 -5.475 -2.919 -4.159 1.00 22.22 H new ATOM 0 HB3 ALA A 40 -5.373 -3.379 -5.875 1.00 22.22 H new ATOM 581 N ALA A 41 -2.366 -3.301 -7.075 1.00 25.45 N ATOM 582 CA ALA A 41 -1.588 -4.008 -8.086 1.00 1.02 C ATOM 583 C ALA A 41 -0.141 -4.184 -7.639 1.00 74.02 C ATOM 584 O ALA A 41 0.541 -5.118 -8.063 1.00 12.01 O ATOM 585 CB ALA A 41 -1.646 -3.265 -9.412 1.00 45.31 C ATOM 0 H ALA A 41 -2.657 -2.362 -7.347 1.00 25.45 H new ATOM 0 HA ALA A 41 -2.024 -4.998 -8.218 1.00 1.02 H new ATOM 0 HB1 ALA A 41 -1.061 -3.804 -10.157 1.00 45.31 H new ATOM 0 HB2 ALA A 41 -2.682 -3.195 -9.745 1.00 45.31 H new ATOM 0 HB3 ALA A 41 -1.237 -2.263 -9.286 1.00 45.31 H new ATOM 591 N TYR A 42 0.323 -3.281 -6.782 1.00 71.42 N ATOM 592 CA TYR A 42 1.691 -3.336 -6.280 1.00 54.22 C ATOM 593 C TYR A 42 1.764 -4.130 -4.980 1.00 63.54 C ATOM 594 O TYR A 42 2.830 -4.268 -4.381 1.00 51.33 O ATOM 595 CB TYR A 42 2.232 -1.923 -6.058 1.00 11.42 C ATOM 596 CG TYR A 42 2.525 -1.178 -7.341 1.00 52.24 C ATOM 597 CD1 TYR A 42 1.577 -1.095 -8.352 1.00 44.32 C ATOM 598 CD2 TYR A 42 3.753 -0.557 -7.542 1.00 50.04 C ATOM 599 CE1 TYR A 42 1.841 -0.416 -9.526 1.00 50.44 C ATOM 600 CE2 TYR A 42 4.026 0.124 -8.712 1.00 5.30 C ATOM 601 CZ TYR A 42 3.066 0.192 -9.701 1.00 50.35 C ATOM 602 OH TYR A 42 3.333 0.870 -10.868 1.00 61.04 O ATOM 0 H TYR A 42 -0.228 -2.502 -6.421 1.00 71.42 H new ATOM 0 HA TYR A 42 2.304 -3.840 -7.027 1.00 54.22 H new ATOM 0 HB2 TYR A 42 1.509 -1.354 -5.474 1.00 11.42 H new ATOM 0 HB3 TYR A 42 3.145 -1.981 -5.465 1.00 11.42 H new ATOM 0 HD1 TYR A 42 0.616 -1.570 -8.218 1.00 44.32 H new ATOM 0 HD2 TYR A 42 4.506 -0.608 -6.770 1.00 50.04 H new ATOM 0 HE1 TYR A 42 1.092 -0.362 -10.302 1.00 50.44 H new ATOM 0 HE2 TYR A 42 4.985 0.600 -8.852 1.00 5.30 H new ATOM 0 HH TYR A 42 3.643 0.238 -11.550 1.00 61.04 H new ATOM 611 N VAL A 43 0.619 -4.653 -4.549 1.00 52.43 N ATOM 612 CA VAL A 43 0.551 -5.436 -3.321 1.00 23.00 C ATOM 613 C VAL A 43 -0.396 -6.621 -3.476 1.00 2.41 C ATOM 614 O VAL A 43 -1.090 -6.747 -4.485 1.00 2.22 O ATOM 615 CB VAL A 43 0.088 -4.574 -2.131 1.00 71.22 C ATOM 616 CG1 VAL A 43 1.244 -3.748 -1.588 1.00 45.05 C ATOM 617 CG2 VAL A 43 -1.072 -3.679 -2.542 1.00 70.21 C ATOM 0 H VAL A 43 -0.273 -4.548 -5.032 1.00 52.43 H new ATOM 0 HA VAL A 43 1.558 -5.804 -3.124 1.00 23.00 H new ATOM 0 HB VAL A 43 -0.257 -5.236 -1.337 1.00 71.22 H new ATOM 0 HG11 VAL A 43 0.898 -3.146 -0.748 1.00 45.05 H new ATOM 0 HG12 VAL A 43 2.041 -4.413 -1.254 1.00 45.05 H new ATOM 0 HG13 VAL A 43 1.623 -3.093 -2.372 1.00 45.05 H new ATOM 0 HG21 VAL A 43 -1.387 -3.077 -1.690 1.00 70.21 H new ATOM 0 HG22 VAL A 43 -0.756 -3.023 -3.353 1.00 70.21 H new ATOM 0 HG23 VAL A 43 -1.906 -4.295 -2.878 1.00 70.21 H new ATOM 627 N LYS A 44 -0.420 -7.487 -2.469 1.00 31.41 N ATOM 628 CA LYS A 44 -1.283 -8.663 -2.491 1.00 10.55 C ATOM 629 C LYS A 44 -1.404 -9.275 -1.100 1.00 44.24 C ATOM 630 O LYS A 44 -0.431 -9.327 -0.347 1.00 60.55 O ATOM 631 CB LYS A 44 -0.739 -9.703 -3.472 1.00 13.53 C ATOM 632 CG LYS A 44 -1.189 -11.121 -3.167 1.00 12.34 C ATOM 633 CD LYS A 44 -0.097 -11.914 -2.469 1.00 4.20 C ATOM 634 CE LYS A 44 1.109 -12.118 -3.372 1.00 35.42 C ATOM 635 NZ LYS A 44 1.297 -13.551 -3.730 1.00 32.52 N ATOM 0 H LYS A 44 0.148 -7.397 -1.627 1.00 31.41 H new ATOM 0 HA LYS A 44 -2.274 -8.349 -2.818 1.00 10.55 H new ATOM 0 HB2 LYS A 44 -1.056 -9.439 -4.481 1.00 13.53 H new ATOM 0 HB3 LYS A 44 0.350 -9.666 -3.460 1.00 13.53 H new ATOM 0 HG2 LYS A 44 -2.079 -11.094 -2.538 1.00 12.34 H new ATOM 0 HG3 LYS A 44 -1.468 -11.622 -4.094 1.00 12.34 H new ATOM 0 HD2 LYS A 44 0.210 -11.392 -1.563 1.00 4.20 H new ATOM 0 HD3 LYS A 44 -0.490 -12.883 -2.161 1.00 4.20 H new ATOM 0 HE2 LYS A 44 0.986 -11.530 -4.281 1.00 35.42 H new ATOM 0 HE3 LYS A 44 2.004 -11.748 -2.872 1.00 35.42 H new ATOM 0 HZ1 LYS A 44 2.129 -13.649 -4.346 1.00 32.52 H new ATOM 0 HZ2 LYS A 44 1.440 -14.109 -2.864 1.00 32.52 H new ATOM 0 HZ3 LYS A 44 0.453 -13.897 -4.230 1.00 32.52 H new ATOM 645 N LYS A 45 -2.603 -9.738 -0.764 1.00 22.54 N ATOM 646 CA LYS A 45 -2.852 -10.350 0.535 1.00 53.24 C ATOM 647 C LYS A 45 -1.943 -11.555 0.752 1.00 72.11 C ATOM 648 O LYS A 45 -1.611 -12.274 -0.192 1.00 11.55 O ATOM 649 CB LYS A 45 -4.317 -10.775 0.650 1.00 71.35 C ATOM 650 CG LYS A 45 -5.159 -9.835 1.495 1.00 61.04 C ATOM 651 CD LYS A 45 -6.420 -10.518 2.000 1.00 42.10 C ATOM 652 CE LYS A 45 -7.661 -9.987 1.297 1.00 74.20 C ATOM 653 NZ LYS A 45 -8.891 -10.711 1.722 1.00 35.23 N ATOM 0 H LYS A 45 -3.419 -9.701 -1.375 1.00 22.54 H new ATOM 0 HA LYS A 45 -2.634 -9.610 1.305 1.00 53.24 H new ATOM 0 HB2 LYS A 45 -4.748 -10.836 -0.349 1.00 71.35 H new ATOM 0 HB3 LYS A 45 -4.364 -11.776 1.079 1.00 71.35 H new ATOM 0 HG2 LYS A 45 -4.572 -9.481 2.342 1.00 61.04 H new ATOM 0 HG3 LYS A 45 -5.430 -8.959 0.906 1.00 61.04 H new ATOM 0 HD2 LYS A 45 -6.342 -11.593 1.840 1.00 42.10 H new ATOM 0 HD3 LYS A 45 -6.514 -10.362 3.075 1.00 42.10 H new ATOM 0 HE2 LYS A 45 -7.773 -8.924 1.511 1.00 74.20 H new ATOM 0 HE3 LYS A 45 -7.537 -10.084 0.218 1.00 74.20 H new ATOM 0 HZ1 LYS A 45 -9.714 -10.320 1.221 1.00 35.23 H new ATOM 0 HZ2 LYS A 45 -8.795 -11.721 1.495 1.00 35.23 H new ATOM 0 HZ3 LYS A 45 -9.024 -10.598 2.747 1.00 35.23 H new ATOM 663 N LEU A 46 -1.544 -11.773 2.001 1.00 11.12 N ATOM 664 CA LEU A 46 -0.674 -12.893 2.342 1.00 24.53 C ATOM 665 C LEU A 46 -1.436 -13.953 3.131 1.00 70.43 C ATOM 666 O LEU A 46 -2.594 -13.756 3.499 1.00 2.33 O ATOM 667 CB LEU A 46 0.528 -12.404 3.151 1.00 12.33 C ATOM 668 CG LEU A 46 1.469 -11.435 2.434 1.00 12.11 C ATOM 669 CD1 LEU A 46 2.007 -10.396 3.405 1.00 61.45 C ATOM 670 CD2 LEU A 46 2.612 -12.193 1.774 1.00 52.42 C ATOM 0 H LEU A 46 -1.809 -11.189 2.794 1.00 11.12 H new ATOM 0 HA LEU A 46 -0.320 -13.342 1.414 1.00 24.53 H new ATOM 0 HB2 LEU A 46 0.159 -11.919 4.055 1.00 12.33 H new ATOM 0 HB3 LEU A 46 1.105 -13.273 3.468 1.00 12.33 H new ATOM 0 HG LEU A 46 0.905 -10.918 1.657 1.00 12.11 H new ATOM 0 HD11 LEU A 46 2.675 -9.715 2.877 1.00 61.45 H new ATOM 0 HD12 LEU A 46 1.177 -9.832 3.831 1.00 61.45 H new ATOM 0 HD13 LEU A 46 2.555 -10.894 4.204 1.00 61.45 H new ATOM 0 HD21 LEU A 46 3.272 -11.488 1.268 1.00 52.42 H new ATOM 0 HD22 LEU A 46 3.175 -12.736 2.533 1.00 52.42 H new ATOM 0 HD23 LEU A 46 2.209 -12.898 1.047 1.00 52.42 H new ATOM 681 N ASP A 47 -0.776 -15.078 3.391 1.00 3.32 N ATOM 682 CA ASP A 47 -1.390 -16.168 4.140 1.00 45.41 C ATOM 683 C ASP A 47 -1.052 -16.064 5.624 1.00 61.31 C ATOM 684 O ASP A 47 0.102 -16.218 6.021 1.00 34.51 O ATOM 685 CB ASP A 47 -0.924 -17.517 3.592 1.00 3.01 C ATOM 686 CG ASP A 47 -1.814 -18.026 2.475 1.00 3.04 C ATOM 687 OD1 ASP A 47 -1.674 -17.537 1.335 1.00 12.13 O ATOM 688 OD2 ASP A 47 -2.651 -18.915 2.741 1.00 55.25 O ATOM 0 H ASP A 47 0.183 -15.258 3.094 1.00 3.32 H new ATOM 0 HA ASP A 47 -2.471 -16.092 4.025 1.00 45.41 H new ATOM 0 HB2 ASP A 47 0.098 -17.423 3.225 1.00 3.01 H new ATOM 0 HB3 ASP A 47 -0.906 -18.248 4.400 1.00 3.01 H new ATOM 692 N SER A 48 -2.069 -15.799 6.440 1.00 74.35 N ATOM 693 CA SER A 48 -1.878 -15.670 7.880 1.00 24.50 C ATOM 694 C SER A 48 -2.952 -16.443 8.641 1.00 60.20 C ATOM 695 O SER A 48 -4.073 -15.965 8.813 1.00 35.43 O ATOM 696 CB SER A 48 -1.908 -14.196 8.289 1.00 42.02 C ATOM 697 OG SER A 48 -3.199 -13.641 8.101 1.00 15.55 O ATOM 0 H SER A 48 -3.032 -15.670 6.128 1.00 74.35 H new ATOM 0 HA SER A 48 -0.904 -16.090 8.133 1.00 24.50 H new ATOM 0 HB2 SER A 48 -1.616 -14.099 9.335 1.00 42.02 H new ATOM 0 HB3 SER A 48 -1.179 -13.637 7.702 1.00 42.02 H new ATOM 0 HG SER A 48 -3.867 -14.212 8.535 1.00 15.55 H new ATOM 702 N GLY A 49 -2.599 -17.642 9.096 1.00 3.44 N ATOM 703 CA GLY A 49 -3.542 -18.462 9.833 1.00 4.13 C ATOM 704 C GLY A 49 -3.708 -18.007 11.269 1.00 31.40 C ATOM 705 O GLY A 49 -3.615 -18.811 12.198 1.00 4.25 O ATOM 0 H GLY A 49 -1.677 -18.059 8.967 1.00 3.44 H new ATOM 0 HA2 GLY A 49 -4.510 -18.436 9.333 1.00 4.13 H new ATOM 0 HA3 GLY A 49 -3.205 -19.498 9.820 1.00 4.13 H new ATOM 709 N THR A 50 -3.952 -16.714 11.454 1.00 2.23 N ATOM 710 CA THR A 50 -4.128 -16.152 12.787 1.00 65.15 C ATOM 711 C THR A 50 -5.339 -15.228 12.840 1.00 21.11 C ATOM 712 O THR A 50 -6.041 -15.165 13.849 1.00 53.12 O ATOM 713 CB THR A 50 -2.879 -15.370 13.237 1.00 25.34 C ATOM 714 OG1 THR A 50 -3.184 -14.584 14.394 1.00 51.51 O ATOM 715 CG2 THR A 50 -2.379 -14.465 12.120 1.00 51.55 C ATOM 0 H THR A 50 -4.032 -16.036 10.697 1.00 2.23 H new ATOM 0 HA THR A 50 -4.286 -16.991 13.465 1.00 65.15 H new ATOM 0 HB THR A 50 -2.095 -16.087 13.482 1.00 25.34 H new ATOM 0 HG1 THR A 50 -2.385 -14.091 14.675 1.00 51.51 H new ATOM 0 HG21 THR A 50 -1.497 -13.922 12.459 1.00 51.55 H new ATOM 0 HG22 THR A 50 -2.121 -15.069 11.250 1.00 51.55 H new ATOM 0 HG23 THR A 50 -3.160 -13.755 11.850 1.00 51.55 H new ATOM 723 N GLY A 51 -5.581 -14.514 11.745 1.00 50.50 N ATOM 724 CA GLY A 51 -6.709 -13.602 11.688 1.00 73.01 C ATOM 725 C GLY A 51 -6.279 -12.150 11.636 1.00 73.10 C ATOM 726 O GLY A 51 -6.804 -11.312 12.369 1.00 1.43 O ATOM 0 H GLY A 51 -5.016 -14.551 10.896 1.00 50.50 H new ATOM 0 HA2 GLY A 51 -7.313 -13.830 10.810 1.00 73.01 H new ATOM 0 HA3 GLY A 51 -7.343 -13.759 12.560 1.00 73.01 H new ATOM 730 N LYS A 52 -5.319 -11.850 10.767 1.00 43.44 N ATOM 731 CA LYS A 52 -4.817 -10.489 10.621 1.00 4.41 C ATOM 732 C LYS A 52 -4.954 -10.010 9.179 1.00 13.23 C ATOM 733 O LYS A 52 -5.162 -10.811 8.268 1.00 2.25 O ATOM 734 CB LYS A 52 -3.353 -10.413 11.057 1.00 53.20 C ATOM 735 CG LYS A 52 -3.127 -10.821 12.503 1.00 55.51 C ATOM 736 CD LYS A 52 -3.168 -9.620 13.433 1.00 52.35 C ATOM 737 CE LYS A 52 -4.475 -9.560 14.209 1.00 10.33 C ATOM 738 NZ LYS A 52 -4.424 -10.384 15.448 1.00 51.32 N ATOM 0 H LYS A 52 -4.873 -12.532 10.153 1.00 43.44 H new ATOM 0 HA LYS A 52 -5.414 -9.839 11.260 1.00 4.41 H new ATOM 0 HB2 LYS A 52 -2.756 -11.055 10.409 1.00 53.20 H new ATOM 0 HB3 LYS A 52 -2.993 -9.394 10.915 1.00 53.20 H new ATOM 0 HG2 LYS A 52 -3.889 -11.541 12.802 1.00 55.51 H new ATOM 0 HG3 LYS A 52 -2.163 -11.321 12.595 1.00 55.51 H new ATOM 0 HD2 LYS A 52 -2.332 -9.670 14.130 1.00 52.35 H new ATOM 0 HD3 LYS A 52 -3.046 -8.705 12.853 1.00 52.35 H new ATOM 0 HE2 LYS A 52 -4.695 -8.525 14.470 1.00 10.33 H new ATOM 0 HE3 LYS A 52 -5.290 -9.908 13.575 1.00 10.33 H new ATOM 0 HZ1 LYS A 52 -5.334 -10.316 15.948 1.00 51.32 H new ATOM 0 HZ2 LYS A 52 -4.240 -11.376 15.198 1.00 51.32 H new ATOM 0 HZ3 LYS A 52 -3.663 -10.036 16.065 1.00 51.32 H new ATOM 748 N GLU A 53 -4.834 -8.701 8.981 1.00 5.32 N ATOM 749 CA GLU A 53 -4.945 -8.118 7.649 1.00 13.15 C ATOM 750 C GLU A 53 -3.604 -7.552 7.190 1.00 3.52 C ATOM 751 O GLU A 53 -3.242 -6.425 7.533 1.00 73.14 O ATOM 752 CB GLU A 53 -6.007 -7.016 7.637 1.00 33.21 C ATOM 753 CG GLU A 53 -7.196 -7.307 8.537 1.00 33.44 C ATOM 754 CD GLU A 53 -8.522 -7.162 7.816 1.00 32.32 C ATOM 755 OE1 GLU A 53 -8.795 -6.062 7.291 1.00 22.34 O ATOM 756 OE2 GLU A 53 -9.286 -8.149 7.775 1.00 45.10 O ATOM 0 H GLU A 53 -4.660 -8.025 9.725 1.00 5.32 H new ATOM 0 HA GLU A 53 -5.243 -8.907 6.958 1.00 13.15 H new ATOM 0 HB2 GLU A 53 -5.548 -6.077 7.948 1.00 33.21 H new ATOM 0 HB3 GLU A 53 -6.361 -6.875 6.616 1.00 33.21 H new ATOM 0 HG2 GLU A 53 -7.110 -8.320 8.931 1.00 33.44 H new ATOM 0 HG3 GLU A 53 -7.175 -6.630 9.391 1.00 33.44 H new ATOM 761 N LEU A 54 -2.870 -8.341 6.413 1.00 22.44 N ATOM 762 CA LEU A 54 -1.569 -7.920 5.906 1.00 11.14 C ATOM 763 C LEU A 54 -1.532 -7.980 4.383 1.00 34.44 C ATOM 764 O LEU A 54 -2.401 -8.585 3.753 1.00 54.32 O ATOM 765 CB LEU A 54 -0.463 -8.801 6.490 1.00 34.53 C ATOM 766 CG LEU A 54 -0.875 -10.218 6.890 1.00 51.21 C ATOM 767 CD1 LEU A 54 -1.372 -10.992 5.679 1.00 61.23 C ATOM 768 CD2 LEU A 54 0.287 -10.946 7.550 1.00 41.34 C ATOM 0 H LEU A 54 -3.154 -9.276 6.120 1.00 22.44 H new ATOM 0 HA LEU A 54 -1.404 -6.888 6.214 1.00 11.14 H new ATOM 0 HB2 LEU A 54 0.342 -8.871 5.759 1.00 34.53 H new ATOM 0 HB3 LEU A 54 -0.054 -8.302 7.368 1.00 34.53 H new ATOM 0 HG LEU A 54 -1.690 -10.148 7.610 1.00 51.21 H new ATOM 0 HD11 LEU A 54 -1.661 -11.998 5.984 1.00 61.23 H new ATOM 0 HD12 LEU A 54 -2.234 -10.482 5.250 1.00 61.23 H new ATOM 0 HD13 LEU A 54 -0.578 -11.052 4.935 1.00 61.23 H new ATOM 0 HD21 LEU A 54 -0.025 -11.953 7.828 1.00 41.34 H new ATOM 0 HD22 LEU A 54 1.123 -11.005 6.853 1.00 41.34 H new ATOM 0 HD23 LEU A 54 0.597 -10.403 8.443 1.00 41.34 H new ATOM 779 N VAL A 55 -0.518 -7.352 3.795 1.00 25.34 N ATOM 780 CA VAL A 55 -0.366 -7.338 2.345 1.00 12.31 C ATOM 781 C VAL A 55 1.093 -7.136 1.948 1.00 23.34 C ATOM 782 O VAL A 55 1.727 -6.159 2.348 1.00 51.31 O ATOM 783 CB VAL A 55 -1.219 -6.229 1.701 1.00 22.00 C ATOM 784 CG1 VAL A 55 -2.635 -6.725 1.448 1.00 1.41 C ATOM 785 CG2 VAL A 55 -1.230 -4.988 2.581 1.00 4.32 C ATOM 0 H VAL A 55 0.210 -6.847 4.300 1.00 25.34 H new ATOM 0 HA VAL A 55 -0.709 -8.307 1.982 1.00 12.31 H new ATOM 0 HB VAL A 55 -0.775 -5.963 0.742 1.00 22.00 H new ATOM 0 HG11 VAL A 55 -3.224 -5.929 0.993 1.00 1.41 H new ATOM 0 HG12 VAL A 55 -2.605 -7.583 0.777 1.00 1.41 H new ATOM 0 HG13 VAL A 55 -3.092 -7.019 2.393 1.00 1.41 H new ATOM 0 HG21 VAL A 55 -1.837 -4.214 2.111 1.00 4.32 H new ATOM 0 HG22 VAL A 55 -1.650 -5.237 3.556 1.00 4.32 H new ATOM 0 HG23 VAL A 55 -0.211 -4.623 2.707 1.00 4.32 H new ATOM 795 N LEU A 56 1.619 -8.066 1.157 1.00 41.35 N ATOM 796 CA LEU A 56 3.004 -7.990 0.705 1.00 3.03 C ATOM 797 C LEU A 56 3.132 -7.069 -0.504 1.00 1.11 C ATOM 798 O LEU A 56 2.183 -6.895 -1.268 1.00 62.14 O ATOM 799 CB LEU A 56 3.523 -9.385 0.355 1.00 30.13 C ATOM 800 CG LEU A 56 4.974 -9.462 -0.122 1.00 3.32 C ATOM 801 CD1 LEU A 56 5.708 -10.593 0.580 1.00 33.44 C ATOM 802 CD2 LEU A 56 5.030 -9.641 -1.632 1.00 74.21 C ATOM 0 H LEU A 56 1.108 -8.880 0.816 1.00 41.35 H new ATOM 0 HA LEU A 56 3.604 -7.579 1.517 1.00 3.03 H new ATOM 0 HB2 LEU A 56 3.416 -10.021 1.234 1.00 30.13 H new ATOM 0 HB3 LEU A 56 2.884 -9.804 -0.422 1.00 30.13 H new ATOM 0 HG LEU A 56 5.470 -8.525 0.131 1.00 3.32 H new ATOM 0 HD11 LEU A 56 6.739 -10.632 0.227 1.00 33.44 H new ATOM 0 HD12 LEU A 56 5.699 -10.420 1.656 1.00 33.44 H new ATOM 0 HD13 LEU A 56 5.214 -11.539 0.360 1.00 33.44 H new ATOM 0 HD21 LEU A 56 6.070 -9.694 -1.954 1.00 74.21 H new ATOM 0 HD22 LEU A 56 4.517 -10.562 -1.908 1.00 74.21 H new ATOM 0 HD23 LEU A 56 4.543 -8.795 -2.117 1.00 74.21 H new ATOM 813 N ALA A 57 4.313 -6.482 -0.672 1.00 45.14 N ATOM 814 CA ALA A 57 4.566 -5.582 -1.790 1.00 33.12 C ATOM 815 C ALA A 57 5.176 -6.332 -2.971 1.00 45.04 C ATOM 816 O ALA A 57 6.318 -6.787 -2.907 1.00 70.44 O ATOM 817 CB ALA A 57 5.479 -4.446 -1.356 1.00 14.34 C ATOM 0 H ALA A 57 5.109 -6.614 -0.048 1.00 45.14 H new ATOM 0 HA ALA A 57 3.612 -5.164 -2.112 1.00 33.12 H new ATOM 0 HB1 ALA A 57 5.660 -3.781 -2.201 1.00 14.34 H new ATOM 0 HB2 ALA A 57 5.006 -3.887 -0.549 1.00 14.34 H new ATOM 0 HB3 ALA A 57 6.427 -4.855 -1.007 1.00 14.34 H new ATOM 823 N LEU A 58 4.407 -6.457 -4.046 1.00 21.34 N ATOM 824 CA LEU A 58 4.871 -7.152 -5.241 1.00 32.25 C ATOM 825 C LEU A 58 5.779 -6.254 -6.076 1.00 23.24 C ATOM 826 O LEU A 58 6.732 -6.723 -6.698 1.00 31.54 O ATOM 827 CB LEU A 58 3.680 -7.615 -6.082 1.00 2.30 C ATOM 828 CG LEU A 58 2.411 -7.971 -5.308 1.00 63.54 C ATOM 829 CD1 LEU A 58 1.306 -8.399 -6.262 1.00 62.53 C ATOM 830 CD2 LEU A 58 2.697 -9.070 -4.293 1.00 4.25 C ATOM 0 H LEU A 58 3.459 -6.086 -4.115 1.00 21.34 H new ATOM 0 HA LEU A 58 5.444 -8.023 -4.924 1.00 32.25 H new ATOM 0 HB2 LEU A 58 3.437 -6.828 -6.796 1.00 2.30 H new ATOM 0 HB3 LEU A 58 3.986 -8.487 -6.660 1.00 2.30 H new ATOM 0 HG LEU A 58 2.075 -7.084 -4.770 1.00 63.54 H new ATOM 0 HD11 LEU A 58 0.410 -8.649 -5.693 1.00 62.53 H new ATOM 0 HD12 LEU A 58 1.083 -7.583 -6.950 1.00 62.53 H new ATOM 0 HD13 LEU A 58 1.632 -9.272 -6.828 1.00 62.53 H new ATOM 0 HD21 LEU A 58 1.783 -9.311 -3.751 1.00 4.25 H new ATOM 0 HD22 LEU A 58 3.057 -9.959 -4.811 1.00 4.25 H new ATOM 0 HD23 LEU A 58 3.456 -8.727 -3.590 1.00 4.25 H new ATOM 841 N TYR A 59 5.479 -4.960 -6.082 1.00 22.14 N ATOM 842 CA TYR A 59 6.266 -3.996 -6.840 1.00 15.53 C ATOM 843 C TYR A 59 6.715 -2.840 -5.951 1.00 54.22 C ATOM 844 O TYR A 59 6.379 -2.786 -4.768 1.00 70.32 O ATOM 845 CB TYR A 59 5.457 -3.460 -8.022 1.00 13.30 C ATOM 846 CG TYR A 59 4.627 -4.517 -8.715 1.00 44.53 C ATOM 847 CD1 TYR A 59 5.151 -5.773 -8.987 1.00 73.41 C ATOM 848 CD2 TYR A 59 3.317 -4.257 -9.099 1.00 43.14 C ATOM 849 CE1 TYR A 59 4.396 -6.741 -9.620 1.00 60.21 C ATOM 850 CE2 TYR A 59 2.554 -5.219 -9.731 1.00 63.11 C ATOM 851 CZ TYR A 59 3.098 -6.460 -9.990 1.00 4.43 C ATOM 852 OH TYR A 59 2.341 -7.420 -10.621 1.00 32.43 O ATOM 0 H TYR A 59 4.696 -4.555 -5.570 1.00 22.14 H new ATOM 0 HA TYR A 59 7.152 -4.507 -7.217 1.00 15.53 H new ATOM 0 HB2 TYR A 59 4.799 -2.665 -7.671 1.00 13.30 H new ATOM 0 HB3 TYR A 59 6.139 -3.013 -8.745 1.00 13.30 H new ATOM 0 HD1 TYR A 59 6.167 -5.998 -8.699 1.00 73.41 H new ATOM 0 HD2 TYR A 59 2.888 -3.286 -8.900 1.00 43.14 H new ATOM 0 HE1 TYR A 59 4.820 -7.713 -9.824 1.00 60.21 H new ATOM 0 HE2 TYR A 59 1.537 -5.001 -10.021 1.00 63.11 H new ATOM 0 HH TYR A 59 1.450 -7.060 -10.812 1.00 32.43 H new ATOM 861 N ASP A 60 7.475 -1.917 -6.530 1.00 35.11 N ATOM 862 CA ASP A 60 7.970 -0.761 -5.792 1.00 42.10 C ATOM 863 C ASP A 60 7.081 0.455 -6.030 1.00 5.33 C ATOM 864 O ASP A 60 6.850 0.856 -7.171 1.00 55.10 O ATOM 865 CB ASP A 60 9.409 -0.444 -6.202 1.00 10.34 C ATOM 866 CG ASP A 60 9.756 1.019 -6.012 1.00 62.12 C ATOM 867 OD1 ASP A 60 9.727 1.491 -4.855 1.00 35.33 O ATOM 868 OD2 ASP A 60 10.058 1.693 -7.019 1.00 63.42 O ATOM 0 H ASP A 60 7.762 -1.947 -7.508 1.00 35.11 H new ATOM 0 HA ASP A 60 7.949 -1.003 -4.729 1.00 42.10 H new ATOM 0 HB2 ASP A 60 10.094 -1.056 -5.615 1.00 10.34 H new ATOM 0 HB3 ASP A 60 9.554 -0.716 -7.247 1.00 10.34 H new ATOM 872 N TYR A 61 6.582 1.039 -4.946 1.00 53.55 N ATOM 873 CA TYR A 61 5.716 2.207 -5.036 1.00 4.31 C ATOM 874 C TYR A 61 6.192 3.314 -4.100 1.00 10.30 C ATOM 875 O TYR A 61 6.978 3.071 -3.184 1.00 32.04 O ATOM 876 CB TYR A 61 4.273 1.826 -4.700 1.00 43.33 C ATOM 877 CG TYR A 61 3.290 2.963 -4.870 1.00 71.43 C ATOM 878 CD1 TYR A 61 3.204 3.980 -3.927 1.00 34.44 C ATOM 879 CD2 TYR A 61 2.447 3.019 -5.973 1.00 51.15 C ATOM 880 CE1 TYR A 61 2.308 5.020 -4.078 1.00 21.35 C ATOM 881 CE2 TYR A 61 1.549 4.056 -6.133 1.00 61.25 C ATOM 882 CZ TYR A 61 1.482 5.054 -5.183 1.00 14.10 C ATOM 883 OH TYR A 61 0.588 6.088 -5.338 1.00 60.03 O ATOM 0 H TYR A 61 6.763 0.721 -3.994 1.00 53.55 H new ATOM 0 HA TYR A 61 5.758 2.579 -6.060 1.00 4.31 H new ATOM 0 HB2 TYR A 61 3.968 0.995 -5.336 1.00 43.33 H new ATOM 0 HB3 TYR A 61 4.230 1.471 -3.670 1.00 43.33 H new ATOM 0 HD1 TYR A 61 3.849 3.957 -3.061 1.00 34.44 H new ATOM 0 HD2 TYR A 61 2.495 2.238 -6.718 1.00 51.15 H new ATOM 0 HE1 TYR A 61 2.254 5.802 -3.335 1.00 21.35 H new ATOM 0 HE2 TYR A 61 0.902 4.085 -6.998 1.00 61.25 H new ATOM 0 HH TYR A 61 -0.109 5.825 -5.975 1.00 60.03 H new ATOM 892 N GLN A 62 5.710 4.530 -4.337 1.00 72.25 N ATOM 893 CA GLN A 62 6.086 5.674 -3.515 1.00 13.22 C ATOM 894 C GLN A 62 4.953 6.692 -3.447 1.00 25.33 C ATOM 895 O GLN A 62 4.535 7.238 -4.468 1.00 71.34 O ATOM 896 CB GLN A 62 7.349 6.335 -4.073 1.00 71.31 C ATOM 897 CG GLN A 62 8.471 6.458 -3.055 1.00 64.41 C ATOM 898 CD GLN A 62 8.328 7.682 -2.173 1.00 40.22 C ATOM 899 OE1 GLN A 62 7.132 7.888 -1.634 1.00 43.22 O flip ATOM 900 NE2 GLN A 62 9.282 8.436 -1.978 1.00 24.41 N flip ATOM 0 H GLN A 62 5.059 4.748 -5.091 1.00 72.25 H new ATOM 0 HA GLN A 62 6.287 5.314 -2.506 1.00 13.22 H new ATOM 0 HB2 GLN A 62 7.705 5.757 -4.926 1.00 71.31 H new ATOM 0 HB3 GLN A 62 7.096 7.328 -4.444 1.00 71.31 H new ATOM 0 HG2 GLN A 62 8.489 5.565 -2.430 1.00 64.41 H new ATOM 0 HG3 GLN A 62 9.427 6.501 -3.577 1.00 64.41 H new ATOM 0 HE21 GLN A 62 10.184 8.240 -2.412 1.00 24.41 H new ATOM 0 HE22 GLN A 62 9.170 9.256 -1.382 1.00 24.41 H new ATOM 907 N GLU A 63 4.460 6.941 -2.239 1.00 63.04 N ATOM 908 CA GLU A 63 3.373 7.893 -2.038 1.00 21.12 C ATOM 909 C GLU A 63 3.841 9.087 -1.211 1.00 30.51 C ATOM 910 O GLU A 63 4.661 8.944 -0.305 1.00 14.54 O ATOM 911 CB GLU A 63 2.190 7.212 -1.347 1.00 13.23 C ATOM 912 CG GLU A 63 0.850 7.515 -1.996 1.00 32.40 C ATOM 913 CD GLU A 63 0.473 8.980 -1.901 1.00 40.33 C ATOM 914 OE1 GLU A 63 0.311 9.479 -0.767 1.00 22.13 O ATOM 915 OE2 GLU A 63 0.341 9.629 -2.960 1.00 73.44 O ATOM 0 H GLU A 63 4.795 6.497 -1.384 1.00 63.04 H new ATOM 0 HA GLU A 63 3.055 8.253 -3.016 1.00 21.12 H new ATOM 0 HB2 GLU A 63 2.350 6.134 -1.350 1.00 13.23 H new ATOM 0 HB3 GLU A 63 2.159 7.527 -0.304 1.00 13.23 H new ATOM 0 HG2 GLU A 63 0.884 7.220 -3.045 1.00 32.40 H new ATOM 0 HG3 GLU A 63 0.076 6.913 -1.520 1.00 32.40 H new ATOM 920 N SER A 64 3.313 10.264 -1.531 1.00 71.43 N ATOM 921 CA SER A 64 3.679 11.484 -0.821 1.00 54.30 C ATOM 922 C SER A 64 2.465 12.094 -0.126 1.00 33.53 C ATOM 923 O SER A 64 1.631 12.736 -0.762 1.00 1.41 O ATOM 924 CB SER A 64 4.289 12.499 -1.790 1.00 74.21 C ATOM 925 OG SER A 64 3.373 12.841 -2.815 1.00 51.03 O ATOM 0 H SER A 64 2.631 10.399 -2.277 1.00 71.43 H new ATOM 0 HA SER A 64 4.418 11.226 -0.063 1.00 54.30 H new ATOM 0 HB2 SER A 64 4.581 13.397 -1.245 1.00 74.21 H new ATOM 0 HB3 SER A 64 5.196 12.085 -2.232 1.00 74.21 H new ATOM 0 HG SER A 64 2.465 12.867 -2.447 1.00 51.03 H new ATOM 930 N GLY A 65 2.374 11.885 1.184 1.00 11.32 N ATOM 931 CA GLY A 65 1.259 12.420 1.944 1.00 71.21 C ATOM 932 C GLY A 65 -0.027 11.654 1.704 1.00 73.44 C ATOM 933 O GLY A 65 -0.645 11.781 0.648 1.00 2.42 O ATOM 0 H GLY A 65 3.052 11.355 1.732 1.00 11.32 H new ATOM 0 HA2 GLY A 65 1.501 12.393 3.006 1.00 71.21 H new ATOM 0 HA3 GLY A 65 1.110 13.466 1.677 1.00 71.21 H new ATOM 937 N ASP A 66 -0.428 10.854 2.686 1.00 34.45 N ATOM 938 CA ASP A 66 -1.649 10.063 2.576 1.00 52.21 C ATOM 939 C ASP A 66 -2.729 10.833 1.824 1.00 42.21 C ATOM 940 O ASP A 66 -3.343 11.751 2.366 1.00 61.23 O ATOM 941 CB ASP A 66 -2.156 9.675 3.966 1.00 53.04 C ATOM 942 CG ASP A 66 -3.602 9.221 3.948 1.00 5.22 C ATOM 943 OD1 ASP A 66 -3.888 8.176 3.328 1.00 63.25 O ATOM 944 OD2 ASP A 66 -4.448 9.911 4.554 1.00 1.44 O ATOM 0 H ASP A 66 0.074 10.736 3.566 1.00 34.45 H new ATOM 0 HA ASP A 66 -1.417 9.157 2.016 1.00 52.21 H new ATOM 0 HB2 ASP A 66 -1.532 8.876 4.367 1.00 53.04 H new ATOM 0 HB3 ASP A 66 -2.054 10.527 4.638 1.00 53.04 H new ATOM 948 N ASN A 67 -2.955 10.453 0.570 1.00 13.20 N ATOM 949 CA ASN A 67 -3.961 11.109 -0.258 1.00 74.32 C ATOM 950 C ASN A 67 -4.983 10.100 -0.774 1.00 73.12 C ATOM 951 O ASN A 67 -4.685 8.913 -0.908 1.00 41.41 O ATOM 952 CB ASN A 67 -3.295 11.824 -1.435 1.00 53.52 C ATOM 953 CG ASN A 67 -4.161 11.821 -2.679 1.00 3.15 C ATOM 954 OD1 ASN A 67 -4.049 10.765 -3.475 1.00 41.40 O flip ATOM 955 ND2 ASN A 67 -4.923 12.757 -2.921 1.00 22.44 N flip ATOM 0 H ASN A 67 -2.455 9.695 0.105 1.00 13.20 H new ATOM 0 HA ASN A 67 -4.480 11.843 0.358 1.00 74.32 H new ATOM 0 HB2 ASN A 67 -3.073 12.853 -1.153 1.00 53.52 H new ATOM 0 HB3 ASN A 67 -2.343 11.342 -1.657 1.00 53.52 H new ATOM 0 HD21 ASN A 67 -4.977 13.549 -2.281 1.00 22.44 H new ATOM 0 HD22 ASN A 67 -5.500 12.740 -3.762 1.00 22.44 H new ATOM 961 N ALA A 68 -6.187 10.582 -1.061 1.00 23.44 N ATOM 962 CA ALA A 68 -7.252 9.723 -1.566 1.00 42.44 C ATOM 963 C ALA A 68 -7.053 9.411 -3.045 1.00 72.03 C ATOM 964 O ALA A 68 -6.647 10.263 -3.835 1.00 43.33 O ATOM 965 CB ALA A 68 -8.607 10.376 -1.340 1.00 2.32 C ATOM 0 H ALA A 68 -6.450 11.562 -0.953 1.00 23.44 H new ATOM 0 HA ALA A 68 -7.217 8.782 -1.017 1.00 42.44 H new ATOM 0 HB1 ALA A 68 -9.393 9.724 -1.722 1.00 2.32 H new ATOM 0 HB2 ALA A 68 -8.758 10.541 -0.273 1.00 2.32 H new ATOM 0 HB3 ALA A 68 -8.642 11.332 -1.863 1.00 2.32 H new ATOM 971 N PRO A 69 -7.342 8.160 -3.430 1.00 31.52 N ATOM 972 CA PRO A 69 -7.202 7.705 -4.817 1.00 54.43 C ATOM 973 C PRO A 69 -8.239 8.335 -5.741 1.00 64.52 C ATOM 974 O PRO A 69 -9.308 7.768 -5.967 1.00 21.32 O ATOM 975 CB PRO A 69 -7.420 6.194 -4.719 1.00 33.54 C ATOM 976 CG PRO A 69 -8.251 6.008 -3.498 1.00 44.20 C ATOM 977 CD PRO A 69 -7.830 7.090 -2.542 1.00 14.33 C ATOM 0 HA PRO A 69 -6.237 7.983 -5.242 1.00 54.43 H new ATOM 0 HB2 PRO A 69 -7.926 5.809 -5.604 1.00 33.54 H new ATOM 0 HB3 PRO A 69 -6.472 5.662 -4.637 1.00 33.54 H new ATOM 0 HG2 PRO A 69 -9.313 6.086 -3.733 1.00 44.20 H new ATOM 0 HG3 PRO A 69 -8.092 5.021 -3.064 1.00 44.20 H new ATOM 0 HD2 PRO A 69 -8.663 7.428 -1.926 1.00 14.33 H new ATOM 0 HD3 PRO A 69 -7.051 6.745 -1.863 1.00 14.33 H new ATOM 982 N SER A 70 -7.917 9.510 -6.271 1.00 14.14 N ATOM 983 CA SER A 70 -8.823 10.217 -7.169 1.00 40.41 C ATOM 984 C SER A 70 -8.508 9.893 -8.626 1.00 63.21 C ATOM 985 O SER A 70 -9.205 10.340 -9.537 1.00 1.44 O ATOM 986 CB SER A 70 -8.726 11.728 -6.939 1.00 63.54 C ATOM 987 OG SER A 70 -9.523 12.128 -5.838 1.00 63.44 O ATOM 0 H SER A 70 -7.036 9.993 -6.094 1.00 14.14 H new ATOM 0 HA SER A 70 -9.839 9.887 -6.953 1.00 40.41 H new ATOM 0 HB2 SER A 70 -7.687 12.006 -6.760 1.00 63.54 H new ATOM 0 HB3 SER A 70 -9.048 12.257 -7.836 1.00 63.54 H new ATOM 0 HG SER A 70 -9.443 13.096 -5.711 1.00 63.44 H new ATOM 992 N TYR A 71 -7.456 9.112 -8.836 1.00 35.41 N ATOM 993 CA TYR A 71 -7.047 8.727 -10.182 1.00 15.01 C ATOM 994 C TYR A 71 -6.777 7.228 -10.263 1.00 2.30 C ATOM 995 O TYR A 71 -6.768 6.532 -9.249 1.00 43.24 O ATOM 996 CB TYR A 71 -5.797 9.504 -10.599 1.00 53.52 C ATOM 997 CG TYR A 71 -4.729 9.554 -9.529 1.00 21.21 C ATOM 998 CD1 TYR A 71 -4.263 8.390 -8.931 1.00 55.14 C ATOM 999 CD2 TYR A 71 -4.190 10.765 -9.115 1.00 52.42 C ATOM 1000 CE1 TYR A 71 -3.289 8.430 -7.952 1.00 35.15 C ATOM 1001 CE2 TYR A 71 -3.214 10.815 -8.138 1.00 71.03 C ATOM 1002 CZ TYR A 71 -2.767 9.645 -7.559 1.00 33.14 C ATOM 1003 OH TYR A 71 -1.796 9.691 -6.584 1.00 30.45 O ATOM 0 H TYR A 71 -6.870 8.733 -8.092 1.00 35.41 H new ATOM 0 HA TYR A 71 -7.862 8.968 -10.864 1.00 15.01 H new ATOM 0 HB2 TYR A 71 -5.379 9.048 -11.497 1.00 53.52 H new ATOM 0 HB3 TYR A 71 -6.083 10.522 -10.862 1.00 53.52 H new ATOM 0 HD1 TYR A 71 -4.669 7.437 -9.237 1.00 55.14 H new ATOM 0 HD2 TYR A 71 -4.539 11.683 -9.564 1.00 52.42 H new ATOM 0 HE1 TYR A 71 -2.938 7.515 -7.497 1.00 35.15 H new ATOM 0 HE2 TYR A 71 -2.803 11.765 -7.829 1.00 71.03 H new ATOM 0 HH TYR A 71 -1.536 10.622 -6.425 1.00 30.45 H new ATOM 1012 N SER A 72 -6.557 6.738 -11.479 1.00 71.34 N ATOM 1013 CA SER A 72 -6.291 5.320 -11.695 1.00 52.41 C ATOM 1014 C SER A 72 -4.902 4.945 -11.187 1.00 45.10 C ATOM 1015 O SER A 72 -3.996 5.776 -11.108 1.00 70.40 O ATOM 1016 CB SER A 72 -6.412 4.977 -13.181 1.00 4.42 C ATOM 1017 OG SER A 72 -7.734 4.584 -13.507 1.00 34.21 O ATOM 0 H SER A 72 -6.558 7.301 -12.329 1.00 71.34 H new ATOM 0 HA SER A 72 -7.031 4.747 -11.136 1.00 52.41 H new ATOM 0 HB2 SER A 72 -6.128 5.841 -13.781 1.00 4.42 H new ATOM 0 HB3 SER A 72 -5.718 4.174 -13.430 1.00 4.42 H new ATOM 0 HG SER A 72 -7.786 4.372 -14.462 1.00 34.21 H new ATOM 1022 N PRO A 73 -4.729 3.663 -10.832 1.00 34.41 N ATOM 1023 CA PRO A 73 -3.454 3.147 -10.326 1.00 41.13 C ATOM 1024 C PRO A 73 -2.379 3.096 -11.406 1.00 60.24 C ATOM 1025 O PRO A 73 -2.659 2.875 -12.584 1.00 21.32 O ATOM 1026 CB PRO A 73 -3.806 1.734 -9.854 1.00 40.23 C ATOM 1027 CG PRO A 73 -4.995 1.348 -10.664 1.00 14.03 C ATOM 1028 CD PRO A 73 -5.765 2.618 -10.899 1.00 12.34 C ATOM 0 HA PRO A 73 -3.039 3.782 -9.543 1.00 41.13 H new ATOM 0 HB2 PRO A 73 -2.977 1.045 -10.015 1.00 40.23 H new ATOM 0 HB3 PRO A 73 -4.031 1.718 -8.788 1.00 40.23 H new ATOM 0 HG2 PRO A 73 -4.694 0.894 -11.608 1.00 14.03 H new ATOM 0 HG3 PRO A 73 -5.605 0.614 -10.137 1.00 14.03 H new ATOM 0 HD2 PRO A 73 -6.266 2.611 -11.867 1.00 12.34 H new ATOM 0 HD3 PRO A 73 -6.535 2.767 -10.142 1.00 12.34 H new ATOM 1033 N PRO A 74 -1.118 3.302 -10.998 1.00 1.51 N ATOM 1034 CA PRO A 74 0.024 3.283 -11.916 1.00 51.11 C ATOM 1035 C PRO A 74 0.321 1.883 -12.443 1.00 3.25 C ATOM 1036 O PRO A 74 0.050 0.877 -11.788 1.00 65.31 O ATOM 1037 CB PRO A 74 1.183 3.785 -11.051 1.00 11.54 C ATOM 1038 CG PRO A 74 0.787 3.449 -9.655 1.00 63.25 C ATOM 1039 CD PRO A 74 -0.711 3.571 -9.608 1.00 63.43 C ATOM 0 HA PRO A 74 -0.157 3.889 -12.804 1.00 51.11 H new ATOM 0 HB2 PRO A 74 2.120 3.300 -11.324 1.00 11.54 H new ATOM 0 HB3 PRO A 74 1.332 4.858 -11.173 1.00 11.54 H new ATOM 0 HG2 PRO A 74 1.105 2.440 -9.391 1.00 63.25 H new ATOM 0 HG3 PRO A 74 1.256 4.127 -8.942 1.00 63.25 H new ATOM 0 HD2 PRO A 74 -1.151 2.855 -8.914 1.00 63.43 H new ATOM 0 HD3 PRO A 74 -1.024 4.563 -9.282 1.00 63.43 H new ATOM 1044 N PRO A 75 0.892 1.815 -13.655 1.00 33.01 N ATOM 1045 CA PRO A 75 1.239 0.543 -14.296 1.00 11.50 C ATOM 1046 C PRO A 75 2.401 -0.158 -13.601 1.00 65.14 C ATOM 1047 O PRO A 75 3.475 0.411 -13.407 1.00 34.04 O ATOM 1048 CB PRO A 75 1.637 0.959 -15.715 1.00 64.44 C ATOM 1049 CG PRO A 75 2.084 2.373 -15.584 1.00 54.34 C ATOM 1050 CD PRO A 75 1.244 2.974 -14.492 1.00 3.32 C ATOM 0 HA PRO A 75 0.415 -0.170 -14.261 1.00 11.50 H new ATOM 0 HB2 PRO A 75 2.435 0.326 -16.104 1.00 64.44 H new ATOM 0 HB3 PRO A 75 0.796 0.872 -16.404 1.00 64.44 H new ATOM 0 HG2 PRO A 75 3.144 2.426 -15.335 1.00 54.34 H new ATOM 0 HG3 PRO A 75 1.950 2.913 -16.521 1.00 54.34 H new ATOM 0 HD2 PRO A 75 1.797 3.725 -13.927 1.00 3.32 H new ATOM 0 HD3 PRO A 75 0.357 3.465 -14.892 1.00 3.32 H new ATOM 1055 N PRO A 76 2.183 -1.424 -13.216 1.00 61.14 N ATOM 1056 CA PRO A 76 3.202 -2.232 -12.538 1.00 42.25 C ATOM 1057 C PRO A 76 4.355 -2.607 -13.461 1.00 63.51 C ATOM 1058 O PRO A 76 4.299 -2.409 -14.675 1.00 10.22 O ATOM 1059 CB PRO A 76 2.433 -3.483 -12.105 1.00 21.21 C ATOM 1060 CG PRO A 76 1.298 -3.581 -13.066 1.00 35.21 C ATOM 1061 CD PRO A 76 0.927 -2.166 -13.414 1.00 63.14 C ATOM 0 HA PRO A 76 3.665 -1.693 -11.712 1.00 42.25 H new ATOM 0 HB2 PRO A 76 3.065 -4.370 -12.147 1.00 21.21 H new ATOM 0 HB3 PRO A 76 2.076 -3.393 -11.079 1.00 21.21 H new ATOM 0 HG2 PRO A 76 1.588 -4.139 -13.957 1.00 35.21 H new ATOM 0 HG3 PRO A 76 0.454 -4.108 -12.621 1.00 35.21 H new ATOM 0 HD2 PRO A 76 0.571 -2.085 -14.441 1.00 63.14 H new ATOM 0 HD3 PRO A 76 0.132 -1.789 -12.770 1.00 63.14 H new ATOM 1066 N PRO A 77 5.425 -3.164 -12.877 1.00 73.32 N ATOM 1067 CA PRO A 77 6.612 -3.581 -13.630 1.00 43.41 C ATOM 1068 C PRO A 77 6.342 -4.793 -14.514 1.00 62.35 C ATOM 1069 O PRO A 77 5.189 -5.143 -14.768 1.00 13.23 O ATOM 1070 CB PRO A 77 7.623 -3.930 -12.535 1.00 72.01 C ATOM 1071 CG PRO A 77 6.791 -4.291 -11.354 1.00 51.54 C ATOM 1072 CD PRO A 77 5.560 -3.431 -11.435 1.00 13.50 C ATOM 0 HA PRO A 77 6.955 -2.804 -14.313 1.00 43.41 H new ATOM 0 HB2 PRO A 77 8.263 -4.759 -12.837 1.00 72.01 H new ATOM 0 HB3 PRO A 77 8.277 -3.086 -12.316 1.00 72.01 H new ATOM 0 HG2 PRO A 77 6.529 -5.349 -11.370 1.00 51.54 H new ATOM 0 HG3 PRO A 77 7.333 -4.110 -10.425 1.00 51.54 H new ATOM 0 HD2 PRO A 77 4.684 -3.944 -11.038 1.00 13.50 H new ATOM 0 HD3 PRO A 77 5.675 -2.509 -10.865 1.00 13.50 H new