USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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: C 11 SER OG : rot 180:sc= 0.176 USER MOD Set 1.2: C 21 THR OG1 : rot -71:sc= 0.187 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.0854 K(o=-0.09,f=-0.87!) USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc=-0.00499 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.0844 USER MOD Set 3.2: A 21 THR OG1 : rot -69:sc= 0.0894 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.041 (180deg=-0.279) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0654 USER MOD Single : A 28 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.31) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= -0.206 (180deg=-0.942) USER MOD Single : A 43 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.511 K(o=0.51,f=-0.83) USER MOD Single : C 1 MET CE :methyl 176:sc= 0 (180deg=-0.0142) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -159:sc= -0.0634 (180deg=-0.471) USER MOD Single : C 13 ASN :FLIP amide:sc= -0.173 F(o=-0.75,f=-0.17) USER MOD Single : C 19 THR OG1 : rot 180:sc= 0 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : C 35 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.8) USER MOD Single : C 38 LYS NZ :NH3+ -168:sc= -0.0211 (180deg=-0.2) USER MOD Single : C 43 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.893 3.012 -1.934 1.00 0.00 N ATOM 2 CA MET A 1 -11.927 2.488 -0.949 1.00 0.00 C ATOM 3 C MET A 1 -11.956 0.970 -0.937 1.00 0.00 C ATOM 4 O MET A 1 -13.014 0.380 -0.749 1.00 0.00 O ATOM 5 CB MET A 1 -12.242 2.999 0.457 1.00 0.00 C ATOM 6 CG MET A 1 -11.310 2.364 1.496 1.00 0.00 C ATOM 7 SD MET A 1 -9.594 2.924 1.420 1.00 0.00 S ATOM 8 CE MET A 1 -9.804 4.442 2.381 1.00 0.00 C ATOM 0 H1 MET A 1 -12.862 4.052 -1.931 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.648 2.661 -2.882 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.851 2.693 -1.684 1.00 0.00 H new ATOM 0 HA MET A 1 -10.937 2.837 -1.242 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.138 4.084 0.485 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.278 2.772 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.702 2.574 2.491 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.330 1.282 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.847 4.958 2.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.525 5.091 1.884 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.166 4.194 3.379 1.00 0.00 H new ATOM 20 N LEU A 2 -10.801 0.334 -1.131 1.00 0.00 N ATOM 21 CA LEU A 2 -10.670 -1.109 -1.052 1.00 0.00 C ATOM 22 C LEU A 2 -9.531 -1.403 -0.080 1.00 0.00 C ATOM 23 O LEU A 2 -8.364 -1.153 -0.385 1.00 0.00 O ATOM 24 CB LEU A 2 -10.422 -1.660 -2.460 1.00 0.00 C ATOM 25 CG LEU A 2 -10.472 -3.191 -2.582 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.060 -3.745 -2.597 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.220 -3.905 -1.457 1.00 0.00 C ATOM 0 H LEU A 2 -9.928 0.814 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.572 -1.596 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.163 -1.233 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.445 -1.316 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.016 -3.379 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.096 -4.831 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.516 -3.331 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.552 -3.471 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.200 -4.981 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.740 -3.684 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.254 -3.561 -1.432 1.00 0.00 H new ATOM 39 N ILE A 3 -9.877 -1.931 1.095 1.00 0.00 N ATOM 40 CA ILE A 3 -8.912 -2.272 2.127 1.00 0.00 C ATOM 41 C ILE A 3 -8.379 -3.674 1.866 1.00 0.00 C ATOM 42 O ILE A 3 -9.097 -4.544 1.374 1.00 0.00 O ATOM 43 CB ILE A 3 -9.548 -2.228 3.528 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.954 -0.807 3.934 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.520 -2.712 4.551 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.361 -0.456 3.484 1.00 0.00 C ATOM 0 H ILE A 3 -10.843 -2.133 1.354 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.104 -1.541 2.095 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.437 -2.858 3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.887 -0.708 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.250 -0.094 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.959 -2.685 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.222 -3.733 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.645 -2.063 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.600 0.561 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.424 -0.526 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.071 -1.150 3.934 1.00 0.00 H new ATOM 58 N LEU A 4 -7.107 -3.874 2.203 1.00 0.00 N ATOM 59 CA LEU A 4 -6.450 -5.167 2.169 1.00 0.00 C ATOM 60 C LEU A 4 -5.563 -5.273 3.406 1.00 0.00 C ATOM 61 O LEU A 4 -5.248 -4.264 4.040 1.00 0.00 O ATOM 62 CB LEU A 4 -5.615 -5.306 0.887 1.00 0.00 C ATOM 63 CG LEU A 4 -6.477 -5.344 -0.378 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.573 -5.335 -1.610 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.338 -6.597 -0.435 1.00 0.00 C ATOM 0 H LEU A 4 -6.495 -3.120 2.514 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.187 -5.970 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.917 -4.472 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.019 -6.217 0.943 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.127 -4.469 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.186 -5.362 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.967 -4.429 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.920 -6.208 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.935 -6.587 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.698 -7.479 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.999 -6.624 0.431 1.00 0.00 H new ATOM 77 N THR A 5 -5.153 -6.494 3.753 1.00 0.00 N ATOM 78 CA THR A 5 -4.287 -6.729 4.900 1.00 0.00 C ATOM 79 C THR A 5 -3.059 -7.494 4.448 1.00 0.00 C ATOM 80 O THR A 5 -3.162 -8.405 3.628 1.00 0.00 O ATOM 81 CB THR A 5 -5.028 -7.507 5.991 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.569 -8.700 5.472 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.174 -6.684 6.566 1.00 0.00 C ATOM 0 H THR A 5 -5.412 -7.341 3.247 1.00 0.00 H new ATOM 0 HA THR A 5 -3.985 -5.770 5.321 1.00 0.00 H new ATOM 0 HB THR A 5 -4.303 -7.731 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.037 -9.184 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.684 -7.260 7.339 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.780 -5.765 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.879 -6.438 5.772 1.00 0.00 H new ATOM 91 N ARG A 6 -1.894 -7.124 4.980 1.00 0.00 N ATOM 92 CA ARG A 6 -0.649 -7.795 4.627 1.00 0.00 C ATOM 93 C ARG A 6 0.261 -7.894 5.836 1.00 0.00 C ATOM 94 O ARG A 6 0.374 -6.950 6.617 1.00 0.00 O ATOM 95 CB ARG A 6 0.079 -6.992 3.551 1.00 0.00 C ATOM 96 CG ARG A 6 -0.639 -6.911 2.206 1.00 0.00 C ATOM 97 CD ARG A 6 -0.468 -8.153 1.333 1.00 0.00 C ATOM 98 NE ARG A 6 -1.163 -9.329 1.858 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.118 -10.524 1.265 1.00 0.00 C ATOM 100 NH1 ARG A 6 -0.471 -10.683 0.113 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.727 -11.567 1.817 1.00 0.00 N ATOM 0 H ARG A 6 -1.789 -6.366 5.654 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.891 -8.794 4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.239 -5.979 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.063 -7.433 3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.702 -6.748 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.269 -6.043 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.838 -7.938 0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.594 -8.379 1.239 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.706 -9.231 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.004 -9.888 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.442 -11.600 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.231 -11.456 2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.691 -12.479 1.361 1.00 0.00 H new ATOM 115 N LYS A 7 0.909 -9.048 5.978 1.00 0.00 N ATOM 116 CA LYS A 7 1.935 -9.265 6.995 1.00 0.00 C ATOM 117 C LYS A 7 3.224 -8.663 6.432 1.00 0.00 C ATOM 118 O LYS A 7 3.374 -8.608 5.212 1.00 0.00 O ATOM 119 CB LYS A 7 2.098 -10.770 7.262 1.00 0.00 C ATOM 120 CG LYS A 7 1.994 -11.151 8.743 1.00 0.00 C ATOM 121 CD LYS A 7 0.623 -10.824 9.344 1.00 0.00 C ATOM 122 CE LYS A 7 0.505 -11.369 10.771 1.00 0.00 C ATOM 123 NZ LYS A 7 0.516 -12.843 10.796 1.00 0.00 N ATOM 0 H LYS A 7 0.736 -9.862 5.388 1.00 0.00 H new ATOM 0 HA LYS A 7 1.672 -8.799 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.336 -11.313 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.066 -11.094 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.189 -12.218 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.767 -10.625 9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.473 -9.744 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.163 -11.252 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.329 -10.989 11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.417 -11.004 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.152 -13.177 11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.086 -13.208 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.489 -13.185 10.664 1.00 0.00 H new ATOM 137 N VAL A 8 4.161 -8.212 7.275 1.00 0.00 N ATOM 138 CA VAL A 8 5.379 -7.624 6.722 1.00 0.00 C ATOM 139 C VAL A 8 6.101 -8.636 5.832 1.00 0.00 C ATOM 140 O VAL A 8 6.321 -9.782 6.229 1.00 0.00 O ATOM 141 CB VAL A 8 6.294 -7.050 7.811 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.545 -5.983 8.614 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.823 -8.102 8.779 1.00 0.00 C ATOM 0 H VAL A 8 4.104 -8.240 8.293 1.00 0.00 H new ATOM 0 HA VAL A 8 5.090 -6.777 6.100 1.00 0.00 H new ATOM 0 HB VAL A 8 7.151 -6.624 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.202 -5.580 9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.232 -5.179 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.667 -6.429 9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.462 -7.625 9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.986 -8.589 9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.399 -8.846 8.229 1.00 0.00 H new ATOM 153 N GLY A 9 6.466 -8.210 4.621 1.00 0.00 N ATOM 154 CA GLY A 9 7.158 -9.039 3.643 1.00 0.00 C ATOM 155 C GLY A 9 6.249 -9.436 2.473 1.00 0.00 C ATOM 156 O GLY A 9 6.741 -9.891 1.445 1.00 0.00 O ATOM 0 H GLY A 9 6.284 -7.262 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.025 -8.500 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.532 -9.939 4.132 1.00 0.00 H new ATOM 160 N GLU A 10 4.930 -9.264 2.617 1.00 0.00 N ATOM 161 CA GLU A 10 3.964 -9.619 1.579 1.00 0.00 C ATOM 162 C GLU A 10 3.811 -8.490 0.557 1.00 0.00 C ATOM 163 O GLU A 10 4.454 -7.445 0.675 1.00 0.00 O ATOM 164 CB GLU A 10 2.616 -9.944 2.233 1.00 0.00 C ATOM 165 CG GLU A 10 2.717 -11.149 3.166 1.00 0.00 C ATOM 166 CD GLU A 10 3.114 -12.411 2.403 1.00 0.00 C ATOM 167 OE1 GLU A 10 2.306 -12.847 1.553 1.00 0.00 O ATOM 168 OE2 GLU A 10 4.217 -12.931 2.679 1.00 0.00 O ATOM 0 H GLU A 10 4.505 -8.874 3.458 1.00 0.00 H new ATOM 0 HA GLU A 10 4.327 -10.496 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.265 -9.078 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.875 -10.144 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.451 -10.947 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.760 -11.308 3.663 1.00 0.00 H new ATOM 175 N SER A 11 2.960 -8.694 -0.455 1.00 0.00 N ATOM 176 CA SER A 11 2.802 -7.741 -1.546 1.00 0.00 C ATOM 177 C SER A 11 1.346 -7.585 -1.985 1.00 0.00 C ATOM 178 O SER A 11 0.478 -8.376 -1.612 1.00 0.00 O ATOM 179 CB SER A 11 3.641 -8.199 -2.740 1.00 0.00 C ATOM 180 OG SER A 11 5.009 -8.255 -2.391 1.00 0.00 O ATOM 0 H SER A 11 2.368 -9.520 -0.536 1.00 0.00 H new ATOM 0 HA SER A 11 3.139 -6.770 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.304 -9.181 -3.074 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.500 -7.513 -3.575 1.00 0.00 H new ATOM 0 HG SER A 11 5.532 -8.551 -3.165 1.00 0.00 H new ATOM 186 N ILE A 12 1.096 -6.543 -2.787 1.00 0.00 N ATOM 187 CA ILE A 12 -0.210 -6.167 -3.325 1.00 0.00 C ATOM 188 C ILE A 12 0.017 -5.663 -4.754 1.00 0.00 C ATOM 189 O ILE A 12 1.153 -5.384 -5.135 1.00 0.00 O ATOM 190 CB ILE A 12 -0.847 -5.095 -2.416 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.086 -5.681 -1.016 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.165 -4.563 -2.989 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.758 -4.695 -0.057 1.00 0.00 C ATOM 0 H ILE A 12 1.837 -5.911 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.901 -7.009 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.153 -4.256 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.706 -6.573 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.132 -5.996 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.577 -3.811 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.983 -4.115 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.874 -5.384 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.899 -5.170 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.128 -3.813 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.727 -4.399 -0.460 1.00 0.00 H new ATOM 205 N ASN A 13 -1.043 -5.543 -5.559 1.00 0.00 N ATOM 206 CA ASN A 13 -0.941 -5.152 -6.958 1.00 0.00 C ATOM 207 C ASN A 13 -2.025 -4.157 -7.358 1.00 0.00 C ATOM 208 O ASN A 13 -3.103 -4.126 -6.766 1.00 0.00 O ATOM 209 CB ASN A 13 -1.037 -6.404 -7.829 1.00 0.00 C ATOM 210 CG ASN A 13 0.318 -7.088 -7.939 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.563 -8.107 -7.304 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.203 -6.527 -8.755 1.00 0.00 N ATOM 0 H ASN A 13 -2.000 -5.717 -5.251 1.00 0.00 H new ATOM 0 HA ASN A 13 0.019 -4.657 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.765 -7.094 -7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.396 -6.135 -8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.126 -6.945 -8.871 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.959 -5.678 -9.266 1.00 0.00 H new ATOM 219 N ILE A 14 -1.713 -3.347 -8.375 1.00 0.00 N ATOM 220 CA ILE A 14 -2.601 -2.329 -8.906 1.00 0.00 C ATOM 221 C ILE A 14 -2.396 -2.247 -10.419 1.00 0.00 C ATOM 222 O ILE A 14 -1.272 -2.371 -10.910 1.00 0.00 O ATOM 223 CB ILE A 14 -2.300 -0.970 -8.250 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.399 -1.066 -6.720 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.271 0.091 -8.775 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.092 0.262 -6.026 1.00 0.00 C ATOM 0 H ILE A 14 -0.815 -3.388 -8.857 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.637 -2.588 -8.689 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.281 -0.682 -8.508 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.402 -1.392 -6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.706 -1.827 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.051 1.050 -8.306 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.161 0.182 -9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.294 -0.203 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.177 0.137 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.079 0.578 -6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.801 1.019 -6.360 1.00 0.00 H new ATOM 238 N GLY A 15 -3.485 -2.038 -11.164 1.00 0.00 N ATOM 239 CA GLY A 15 -3.433 -1.991 -12.615 1.00 0.00 C ATOM 240 C GLY A 15 -2.811 -3.271 -13.161 1.00 0.00 C ATOM 241 O GLY A 15 -3.077 -4.366 -12.664 1.00 0.00 O ATOM 0 H GLY A 15 -4.418 -1.898 -10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.438 -1.866 -13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.850 -1.128 -12.938 1.00 0.00 H new ATOM 245 N ASP A 16 -1.978 -3.127 -14.192 1.00 0.00 N ATOM 246 CA ASP A 16 -1.265 -4.235 -14.810 1.00 0.00 C ATOM 247 C ASP A 16 0.222 -3.894 -14.923 1.00 0.00 C ATOM 248 O ASP A 16 0.975 -4.603 -15.588 1.00 0.00 O ATOM 249 CB ASP A 16 -1.878 -4.543 -16.178 1.00 0.00 C ATOM 250 CG ASP A 16 -3.322 -5.017 -16.046 1.00 0.00 C ATOM 251 OD1 ASP A 16 -3.513 -6.203 -15.695 1.00 0.00 O ATOM 252 OD2 ASP A 16 -4.229 -4.193 -16.296 1.00 0.00 O ATOM 0 H ASP A 16 -1.780 -2.224 -14.624 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.358 -5.127 -14.191 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.842 -3.651 -16.804 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.286 -5.309 -16.680 1.00 0.00 H new ATOM 257 N ASP A 17 0.645 -2.804 -14.267 1.00 0.00 N ATOM 258 CA ASP A 17 2.009 -2.303 -14.346 1.00 0.00 C ATOM 259 C ASP A 17 2.507 -1.785 -12.993 1.00 0.00 C ATOM 260 O ASP A 17 3.579 -1.186 -12.942 1.00 0.00 O ATOM 261 CB ASP A 17 2.080 -1.191 -15.397 1.00 0.00 C ATOM 262 CG ASP A 17 1.697 -1.693 -16.789 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.579 -2.281 -17.452 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.526 -1.483 -17.180 1.00 0.00 O ATOM 0 H ASP A 17 0.039 -2.247 -13.664 1.00 0.00 H new ATOM 0 HA ASP A 17 2.659 -3.129 -14.634 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.414 -0.377 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.090 -0.782 -15.424 1.00 0.00 H new ATOM 269 N ILE A 18 1.758 -2.001 -11.902 1.00 0.00 N ATOM 270 CA ILE A 18 2.186 -1.540 -10.590 1.00 0.00 C ATOM 271 C ILE A 18 2.096 -2.675 -9.572 1.00 0.00 C ATOM 272 O ILE A 18 1.218 -3.535 -9.646 1.00 0.00 O ATOM 273 CB ILE A 18 1.353 -0.326 -10.136 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.454 0.851 -11.111 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.839 0.156 -8.766 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.355 0.804 -12.177 1.00 0.00 C ATOM 0 H ILE A 18 0.862 -2.488 -11.910 1.00 0.00 H new ATOM 0 HA ILE A 18 3.227 -1.223 -10.659 1.00 0.00 H new ATOM 0 HB ILE A 18 0.315 -0.658 -10.095 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.384 1.788 -10.558 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.430 0.839 -11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.246 1.015 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.730 -0.648 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.888 0.445 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.462 1.656 -12.848 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.441 -0.121 -12.748 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.622 0.843 -11.695 1.00 0.00 H new ATOM 288 N THR A 19 3.027 -2.664 -8.616 1.00 0.00 N ATOM 289 CA THR A 19 3.091 -3.621 -7.519 1.00 0.00 C ATOM 290 C THR A 19 3.479 -2.865 -6.251 1.00 0.00 C ATOM 291 O THR A 19 4.087 -1.800 -6.325 1.00 0.00 O ATOM 292 CB THR A 19 4.119 -4.713 -7.847 1.00 0.00 C ATOM 293 OG1 THR A 19 3.833 -5.298 -9.101 1.00 0.00 O ATOM 294 CG2 THR A 19 4.125 -5.825 -6.801 1.00 0.00 C ATOM 0 H THR A 19 3.774 -1.970 -8.586 1.00 0.00 H new ATOM 0 HA THR A 19 2.126 -4.105 -7.370 1.00 0.00 H new ATOM 0 HB THR A 19 5.095 -4.228 -7.860 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.497 -5.991 -9.298 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.867 -6.576 -7.073 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.373 -5.406 -5.826 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.139 -6.288 -6.757 1.00 0.00 H new ATOM 302 N ILE A 20 3.132 -3.418 -5.088 1.00 0.00 N ATOM 303 CA ILE A 20 3.367 -2.797 -3.792 1.00 0.00 C ATOM 304 C ILE A 20 3.903 -3.870 -2.849 1.00 0.00 C ATOM 305 O ILE A 20 3.548 -5.040 -2.990 1.00 0.00 O ATOM 306 CB ILE A 20 2.040 -2.238 -3.249 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.356 -1.267 -4.219 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.256 -1.556 -1.897 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.126 0.039 -4.398 1.00 0.00 C ATOM 0 H ILE A 20 2.672 -4.326 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 20 4.084 -1.980 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 20 1.374 -3.093 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.242 -1.751 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.353 -1.044 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.306 -1.167 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.652 -2.279 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.964 -0.735 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.592 0.684 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.217 0.542 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.120 -0.176 -4.791 1.00 0.00 H new ATOM 321 N THR A 21 4.755 -3.489 -1.891 1.00 0.00 N ATOM 322 CA THR A 21 5.331 -4.431 -0.944 1.00 0.00 C ATOM 323 C THR A 21 5.468 -3.771 0.418 1.00 0.00 C ATOM 324 O THR A 21 6.082 -2.715 0.550 1.00 0.00 O ATOM 325 CB THR A 21 6.707 -4.886 -1.450 1.00 0.00 C ATOM 326 OG1 THR A 21 6.584 -5.472 -2.728 1.00 0.00 O ATOM 327 CG2 THR A 21 7.324 -5.923 -0.512 1.00 0.00 C ATOM 0 H THR A 21 5.059 -2.525 -1.756 1.00 0.00 H new ATOM 0 HA THR A 21 4.678 -5.299 -0.851 1.00 0.00 H new ATOM 0 HB THR A 21 7.348 -4.005 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.107 -6.325 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.298 -6.227 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.444 -5.490 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.670 -6.793 -0.451 1.00 0.00 H new ATOM 335 N ILE A 22 4.891 -4.399 1.445 1.00 0.00 N ATOM 336 CA ILE A 22 5.018 -3.931 2.818 1.00 0.00 C ATOM 337 C ILE A 22 6.389 -4.346 3.343 1.00 0.00 C ATOM 338 O ILE A 22 6.581 -5.468 3.817 1.00 0.00 O ATOM 339 CB ILE A 22 3.849 -4.448 3.676 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.084 -4.192 5.168 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.574 -5.938 3.471 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.323 -2.710 5.458 1.00 0.00 C ATOM 0 H ILE A 22 4.326 -5.242 1.344 1.00 0.00 H new ATOM 0 HA ILE A 22 4.957 -2.844 2.867 1.00 0.00 H new ATOM 0 HB ILE A 22 2.977 -3.887 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.222 -4.539 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.943 -4.772 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.740 -6.244 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.325 -6.122 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.461 -6.512 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.485 -2.570 6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.201 -2.369 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.453 -2.133 5.145 1.00 0.00 H new ATOM 354 N LEU A 23 7.362 -3.434 3.259 1.00 0.00 N ATOM 355 CA LEU A 23 8.732 -3.731 3.653 1.00 0.00 C ATOM 356 C LEU A 23 8.837 -3.939 5.162 1.00 0.00 C ATOM 357 O LEU A 23 9.666 -4.728 5.610 1.00 0.00 O ATOM 358 CB LEU A 23 9.649 -2.589 3.215 1.00 0.00 C ATOM 359 CG LEU A 23 9.519 -2.286 1.719 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.458 -1.144 1.348 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.876 -3.491 0.857 1.00 0.00 C ATOM 0 H LEU A 23 7.220 -2.483 2.920 1.00 0.00 H new ATOM 0 HA LEU A 23 9.041 -4.655 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.410 -1.693 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.683 -2.847 3.443 1.00 0.00 H new ATOM 0 HG LEU A 23 8.479 -2.020 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.366 -0.928 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.195 -0.256 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.486 -1.430 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.769 -3.230 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.906 -3.787 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.208 -4.319 1.095 1.00 0.00 H new ATOM 373 N GLY A 24 8.008 -3.246 5.950 1.00 0.00 N ATOM 374 CA GLY A 24 7.963 -3.491 7.388 1.00 0.00 C ATOM 375 C GLY A 24 7.400 -2.310 8.166 1.00 0.00 C ATOM 376 O GLY A 24 6.902 -1.352 7.579 1.00 0.00 O ATOM 0 H GLY A 24 7.370 -2.522 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.354 -4.374 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.968 -3.712 7.747 1.00 0.00 H new ATOM 380 N VAL A 25 7.487 -2.385 9.498 1.00 0.00 N ATOM 381 CA VAL A 25 7.012 -1.329 10.382 1.00 0.00 C ATOM 382 C VAL A 25 8.056 -1.040 11.457 1.00 0.00 C ATOM 383 O VAL A 25 8.956 -1.843 11.700 1.00 0.00 O ATOM 384 CB VAL A 25 5.669 -1.709 11.034 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.702 -2.296 10.007 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.858 -2.724 12.165 1.00 0.00 C ATOM 0 H VAL A 25 7.890 -3.183 9.989 1.00 0.00 H new ATOM 0 HA VAL A 25 6.853 -0.431 9.784 1.00 0.00 H new ATOM 0 HB VAL A 25 5.253 -0.789 11.444 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.763 -2.554 10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.512 -1.561 9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.139 -3.192 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.889 -2.968 12.601 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.316 -3.630 11.768 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.504 -2.298 12.932 1.00 0.00 H new ATOM 396 N SER A 26 7.921 0.121 12.098 1.00 0.00 N ATOM 397 CA SER A 26 8.783 0.554 13.185 1.00 0.00 C ATOM 398 C SER A 26 7.971 1.506 14.053 1.00 0.00 C ATOM 399 O SER A 26 7.922 2.710 13.807 1.00 0.00 O ATOM 400 CB SER A 26 10.057 1.209 12.641 1.00 0.00 C ATOM 401 OG SER A 26 9.761 2.143 11.621 1.00 0.00 O ATOM 0 H SER A 26 7.193 0.797 11.867 1.00 0.00 H new ATOM 0 HA SER A 26 9.114 -0.294 13.784 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.586 1.709 13.452 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.725 0.441 12.251 1.00 0.00 H new ATOM 0 HG SER A 26 10.593 2.546 11.295 1.00 0.00 H new ATOM 407 N GLY A 27 7.323 0.961 15.084 1.00 0.00 N ATOM 408 CA GLY A 27 6.364 1.721 15.866 1.00 0.00 C ATOM 409 C GLY A 27 5.105 1.887 15.026 1.00 0.00 C ATOM 410 O GLY A 27 4.479 0.898 14.648 1.00 0.00 O ATOM 0 H GLY A 27 7.449 -0.003 15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.136 1.204 16.798 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.775 2.694 16.134 1.00 0.00 H new ATOM 414 N GLN A 28 4.735 3.134 14.736 1.00 0.00 N ATOM 415 CA GLN A 28 3.581 3.433 13.902 1.00 0.00 C ATOM 416 C GLN A 28 4.023 3.805 12.491 1.00 0.00 C ATOM 417 O GLN A 28 3.184 4.090 11.637 1.00 0.00 O ATOM 418 CB GLN A 28 2.750 4.543 14.551 1.00 0.00 C ATOM 419 CG GLN A 28 1.607 3.937 15.367 1.00 0.00 C ATOM 420 CD GLN A 28 2.086 2.776 16.237 1.00 0.00 C ATOM 421 OE1 GLN A 28 2.705 2.978 17.275 1.00 0.00 O ATOM 422 NE2 GLN A 28 1.796 1.550 15.804 1.00 0.00 N ATOM 0 H GLN A 28 5.228 3.961 15.074 1.00 0.00 H new ATOM 0 HA GLN A 28 2.953 2.546 13.819 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.384 5.152 15.195 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.348 5.203 13.783 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.164 4.706 15.999 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.824 3.588 14.693 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.278 1.426 14.934 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.092 0.736 16.343 1.00 0.00 H new ATOM 431 N GLN A 29 5.334 3.806 12.243 1.00 0.00 N ATOM 432 CA GLN A 29 5.865 4.041 10.914 1.00 0.00 C ATOM 433 C GLN A 29 5.757 2.758 10.112 1.00 0.00 C ATOM 434 O GLN A 29 5.730 1.662 10.672 1.00 0.00 O ATOM 435 CB GLN A 29 7.329 4.470 11.000 1.00 0.00 C ATOM 436 CG GLN A 29 7.424 5.876 11.576 1.00 0.00 C ATOM 437 CD GLN A 29 8.844 6.261 11.937 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.831 5.584 11.355 1.00 0.00 O flip ATOM 439 NE2 GLN A 29 9.044 7.168 12.741 1.00 0.00 N flip ATOM 0 H GLN A 29 6.046 3.645 12.956 1.00 0.00 H new ATOM 0 HA GLN A 29 5.296 4.835 10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.885 3.773 11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.784 4.442 10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.031 6.589 10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.796 5.944 12.464 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.256 7.659 13.162 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.999 7.430 12.987 1.00 0.00 H new ATOM 448 N VAL A 30 5.699 2.893 8.788 1.00 0.00 N ATOM 449 CA VAL A 30 5.600 1.762 7.891 1.00 0.00 C ATOM 450 C VAL A 30 6.438 2.056 6.660 1.00 0.00 C ATOM 451 O VAL A 30 6.208 3.058 5.980 1.00 0.00 O ATOM 452 CB VAL A 30 4.133 1.549 7.492 1.00 0.00 C ATOM 453 CG1 VAL A 30 4.029 0.312 6.604 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.243 1.341 8.715 1.00 0.00 C ATOM 0 H VAL A 30 5.720 3.796 8.314 1.00 0.00 H new ATOM 0 HA VAL A 30 5.962 0.857 8.379 1.00 0.00 H new ATOM 0 HB VAL A 30 3.797 2.441 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.989 0.156 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.634 0.455 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.389 -0.560 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.212 1.194 8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.581 0.463 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.300 2.218 9.360 1.00 0.00 H new ATOM 464 N ARG A 31 7.405 1.182 6.368 1.00 0.00 N ATOM 465 CA ARG A 31 8.133 1.252 5.112 1.00 0.00 C ATOM 466 C ARG A 31 7.292 0.540 4.069 1.00 0.00 C ATOM 467 O ARG A 31 6.971 -0.637 4.227 1.00 0.00 O ATOM 468 CB ARG A 31 9.492 0.568 5.203 1.00 0.00 C ATOM 469 CG ARG A 31 10.556 1.477 5.812 1.00 0.00 C ATOM 470 CD ARG A 31 11.944 1.000 5.381 1.00 0.00 C ATOM 471 NE ARG A 31 12.234 -0.368 5.821 1.00 0.00 N ATOM 472 CZ ARG A 31 13.323 -1.047 5.445 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.215 -0.499 4.623 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.528 -2.287 5.886 1.00 0.00 N ATOM 0 H ARG A 31 7.696 0.424 6.985 1.00 0.00 H new ATOM 0 HA ARG A 31 8.310 2.297 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.402 -0.336 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.808 0.258 4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.398 2.506 5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.478 1.468 6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.020 1.052 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.698 1.675 5.786 1.00 0.00 H new ATOM 0 HE ARG A 31 11.571 -0.826 6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.072 0.448 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.042 -1.026 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.853 -2.723 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.360 -2.800 5.596 1.00 0.00 H new ATOM 488 N ILE A 32 6.954 1.274 3.010 1.00 0.00 N ATOM 489 CA ILE A 32 6.152 0.761 1.921 1.00 0.00 C ATOM 490 C ILE A 32 6.937 0.940 0.630 1.00 0.00 C ATOM 491 O ILE A 32 7.351 2.048 0.295 1.00 0.00 O ATOM 492 CB ILE A 32 4.814 1.516 1.856 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.202 1.678 3.255 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.873 0.750 0.915 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.816 2.318 3.218 1.00 0.00 C ATOM 0 H ILE A 32 7.235 2.247 2.891 1.00 0.00 H new ATOM 0 HA ILE A 32 5.932 -0.296 2.072 1.00 0.00 H new ATOM 0 HB ILE A 32 4.975 2.522 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.135 0.701 3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.864 2.289 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.917 1.270 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.319 0.693 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.715 -0.258 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.430 2.409 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.884 3.307 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.143 1.695 2.628 1.00 0.00 H new ATOM 507 N GLY A 33 7.140 -0.161 -0.091 1.00 0.00 N ATOM 508 CA GLY A 33 7.865 -0.151 -1.347 1.00 0.00 C ATOM 509 C GLY A 33 6.869 -0.155 -2.494 1.00 0.00 C ATOM 510 O GLY A 33 5.775 -0.705 -2.367 1.00 0.00 O ATOM 0 H GLY A 33 6.803 -1.083 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.503 0.731 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.517 -1.022 -1.412 1.00 0.00 H new ATOM 514 N ILE A 34 7.245 0.462 -3.615 1.00 0.00 N ATOM 515 CA ILE A 34 6.391 0.525 -4.787 1.00 0.00 C ATOM 516 C ILE A 34 7.230 0.170 -6.003 1.00 0.00 C ATOM 517 O ILE A 34 8.414 0.501 -6.064 1.00 0.00 O ATOM 518 CB ILE A 34 5.781 1.931 -4.905 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.007 2.267 -3.620 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.866 1.992 -6.134 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.434 3.681 -3.630 1.00 0.00 C ATOM 0 H ILE A 34 8.145 0.927 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 34 5.566 -0.183 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 34 6.573 2.670 -5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.195 1.551 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.669 2.154 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.434 2.989 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.446 1.772 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.067 1.258 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.898 3.863 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.246 4.402 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.748 3.790 -4.470 1.00 0.00 H new ATOM 533 N ASN A 35 6.613 -0.501 -6.973 1.00 0.00 N ATOM 534 CA ASN A 35 7.308 -0.933 -8.171 1.00 0.00 C ATOM 535 C ASN A 35 6.434 -0.641 -9.383 1.00 0.00 C ATOM 536 O ASN A 35 5.470 -1.349 -9.658 1.00 0.00 O ATOM 537 CB ASN A 35 7.657 -2.417 -8.042 1.00 0.00 C ATOM 538 CG ASN A 35 8.577 -2.894 -9.159 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.959 -2.125 -10.039 1.00 0.00 O ATOM 540 ND2 ASN A 35 8.935 -4.174 -9.132 1.00 0.00 N ATOM 0 H ASN A 35 5.626 -0.756 -6.947 1.00 0.00 H new ATOM 0 HA ASN A 35 8.243 -0.388 -8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.137 -2.593 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.740 -3.006 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.547 -4.548 -9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.598 -4.782 -8.386 1.00 0.00 H new ATOM 547 N ALA A 36 6.797 0.423 -10.100 1.00 0.00 N ATOM 548 CA ALA A 36 6.088 0.880 -11.280 1.00 0.00 C ATOM 549 C ALA A 36 7.102 1.447 -12.272 1.00 0.00 C ATOM 550 O ALA A 36 8.161 1.917 -11.853 1.00 0.00 O ATOM 551 CB ALA A 36 5.091 1.961 -10.848 1.00 0.00 C ATOM 0 H ALA A 36 7.607 0.997 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 36 5.549 0.063 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.545 2.321 -11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.389 1.541 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.630 2.790 -10.389 1.00 0.00 H new ATOM 557 N PRO A 37 6.805 1.415 -13.577 1.00 0.00 N ATOM 558 CA PRO A 37 7.682 1.965 -14.593 1.00 0.00 C ATOM 559 C PRO A 37 7.728 3.478 -14.441 1.00 0.00 C ATOM 560 O PRO A 37 6.762 4.077 -13.975 1.00 0.00 O ATOM 561 CB PRO A 37 7.057 1.555 -15.926 1.00 0.00 C ATOM 562 CG PRO A 37 5.576 1.363 -15.597 1.00 0.00 C ATOM 563 CD PRO A 37 5.604 0.851 -14.163 1.00 0.00 C ATOM 0 HA PRO A 37 8.707 1.603 -14.518 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.201 2.322 -16.687 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.503 0.638 -16.310 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.020 2.297 -15.681 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.103 0.649 -16.271 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.715 1.165 -13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.627 -0.238 -14.135 1.00 0.00 H new ATOM 571 N LYS A 38 8.840 4.111 -14.833 1.00 0.00 N ATOM 572 CA LYS A 38 8.942 5.568 -14.761 1.00 0.00 C ATOM 573 C LYS A 38 7.918 6.208 -15.705 1.00 0.00 C ATOM 574 O LYS A 38 7.760 7.425 -15.720 1.00 0.00 O ATOM 575 CB LYS A 38 10.352 6.032 -15.123 1.00 0.00 C ATOM 576 CG LYS A 38 11.479 5.378 -14.312 1.00 0.00 C ATOM 577 CD LYS A 38 11.381 5.552 -12.794 1.00 0.00 C ATOM 578 CE LYS A 38 10.843 4.269 -12.154 1.00 0.00 C ATOM 579 NZ LYS A 38 11.732 3.115 -12.392 1.00 0.00 N ATOM 0 H LYS A 38 9.669 3.643 -15.198 1.00 0.00 H new ATOM 0 HA LYS A 38 8.732 5.880 -13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.523 5.833 -16.181 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.408 7.112 -14.989 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.495 4.312 -14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.431 5.789 -14.647 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.362 5.790 -12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.725 6.389 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.726 4.421 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.853 4.052 -12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.721 2.491 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.401 2.588 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.702 3.452 -12.558 1.00 0.00 H new ATOM 593 N ASP A 39 7.228 5.373 -16.495 1.00 0.00 N ATOM 594 CA ASP A 39 6.171 5.779 -17.407 1.00 0.00 C ATOM 595 C ASP A 39 4.956 6.327 -16.652 1.00 0.00 C ATOM 596 O ASP A 39 4.053 6.893 -17.261 1.00 0.00 O ATOM 597 CB ASP A 39 5.767 4.556 -18.231 1.00 0.00 C ATOM 598 CG ASP A 39 4.879 4.931 -19.415 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.349 5.723 -20.265 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.736 4.424 -19.464 1.00 0.00 O ATOM 0 H ASP A 39 7.402 4.368 -16.511 1.00 0.00 H new ATOM 0 HA ASP A 39 6.537 6.578 -18.051 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.663 4.052 -18.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.240 3.847 -17.593 1.00 0.00 H new ATOM 605 N VAL A 40 4.938 6.161 -15.327 1.00 0.00 N ATOM 606 CA VAL A 40 3.860 6.646 -14.475 1.00 0.00 C ATOM 607 C VAL A 40 4.456 7.275 -13.224 1.00 0.00 C ATOM 608 O VAL A 40 5.600 6.997 -12.866 1.00 0.00 O ATOM 609 CB VAL A 40 2.903 5.506 -14.104 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.366 4.810 -15.355 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.578 4.457 -13.221 1.00 0.00 C ATOM 0 H VAL A 40 5.679 5.682 -14.816 1.00 0.00 H new ATOM 0 HA VAL A 40 3.285 7.396 -15.018 1.00 0.00 H new ATOM 0 HB VAL A 40 2.083 5.963 -13.550 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.690 4.006 -15.062 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.827 5.531 -15.970 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.197 4.396 -15.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.864 3.668 -12.982 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.429 4.028 -13.751 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.923 4.925 -12.299 1.00 0.00 H new ATOM 621 N ALA A 41 3.677 8.125 -12.553 1.00 0.00 N ATOM 622 CA ALA A 41 4.159 8.850 -11.393 1.00 0.00 C ATOM 623 C ALA A 41 3.770 8.141 -10.100 1.00 0.00 C ATOM 624 O ALA A 41 2.788 7.403 -10.057 1.00 0.00 O ATOM 625 CB ALA A 41 3.568 10.260 -11.420 1.00 0.00 C ATOM 0 H ALA A 41 2.707 8.324 -12.800 1.00 0.00 H new ATOM 0 HA ALA A 41 5.247 8.898 -11.427 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.921 10.819 -10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.881 10.768 -12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.480 10.199 -11.394 1.00 0.00 H new ATOM 631 N VAL A 42 4.555 8.371 -9.042 1.00 0.00 N ATOM 632 CA VAL A 42 4.228 7.902 -7.699 1.00 0.00 C ATOM 633 C VAL A 42 4.897 8.837 -6.696 1.00 0.00 C ATOM 634 O VAL A 42 6.085 9.126 -6.823 1.00 0.00 O ATOM 635 CB VAL A 42 4.667 6.441 -7.526 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.022 6.150 -8.168 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.772 6.032 -6.061 1.00 0.00 C ATOM 0 H VAL A 42 5.433 8.887 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 42 3.152 7.922 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 42 3.886 5.867 -8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.280 5.102 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.970 6.357 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.784 6.782 -7.712 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.086 4.990 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.504 6.664 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.801 6.149 -5.580 1.00 0.00 H new ATOM 647 N HIS A 43 4.141 9.312 -5.701 1.00 0.00 N ATOM 648 CA HIS A 43 4.646 10.286 -4.740 1.00 0.00 C ATOM 649 C HIS A 43 3.873 10.223 -3.431 1.00 0.00 C ATOM 650 O HIS A 43 2.805 9.619 -3.364 1.00 0.00 O ATOM 651 CB HIS A 43 4.468 11.703 -5.293 1.00 0.00 C ATOM 652 CG HIS A 43 5.069 11.926 -6.651 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.417 12.194 -6.907 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.380 11.896 -7.827 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.507 12.313 -8.243 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.301 12.146 -8.818 1.00 0.00 N ATOM 0 H HIS A 43 3.173 9.033 -5.543 1.00 0.00 H new ATOM 0 HA HIS A 43 5.697 10.052 -4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.403 11.929 -5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.913 12.410 -4.593 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.171 12.281 -6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.323 11.713 -7.955 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.421 12.515 -8.781 1.00 0.00 H new ATOM 664 N ARG A 44 4.419 10.856 -2.390 1.00 0.00 N ATOM 665 CA ARG A 44 3.700 11.050 -1.139 1.00 0.00 C ATOM 666 C ARG A 44 2.569 12.043 -1.365 1.00 0.00 C ATOM 667 O ARG A 44 2.571 12.780 -2.346 1.00 0.00 O ATOM 668 CB ARG A 44 4.664 11.587 -0.086 1.00 0.00 C ATOM 669 CG ARG A 44 5.630 10.485 0.349 1.00 0.00 C ATOM 670 CD ARG A 44 6.756 11.084 1.185 1.00 0.00 C ATOM 671 NE ARG A 44 7.682 11.835 0.331 1.00 0.00 N ATOM 672 CZ ARG A 44 8.181 13.044 0.596 1.00 0.00 C ATOM 673 NH1 ARG A 44 7.824 13.717 1.683 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.053 13.580 -0.245 1.00 0.00 N ATOM 0 H ARG A 44 5.363 11.243 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 44 3.284 10.103 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.222 12.432 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.107 11.954 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.098 9.730 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.042 9.984 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.341 11.742 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.293 10.291 1.705 1.00 0.00 H new ATOM 0 HE ARG A 44 7.970 11.394 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.155 13.311 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.219 14.640 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.334 13.069 -1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.443 14.503 -0.056 1.00 0.00 H new ATOM 688 N GLU A 45 1.594 12.071 -0.458 1.00 0.00 N ATOM 689 CA GLU A 45 0.458 12.981 -0.577 1.00 0.00 C ATOM 690 C GLU A 45 0.927 14.437 -0.455 1.00 0.00 C ATOM 691 O GLU A 45 0.315 15.336 -1.027 1.00 0.00 O ATOM 692 CB GLU A 45 -0.546 12.612 0.518 1.00 0.00 C ATOM 693 CG GLU A 45 -1.972 13.038 0.183 1.00 0.00 C ATOM 694 CD GLU A 45 -2.189 14.543 0.261 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.800 15.137 1.292 1.00 0.00 O ATOM 696 OE2 GLU A 45 -2.743 15.086 -0.717 1.00 0.00 O ATOM 0 H GLU A 45 1.569 11.473 0.368 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.018 12.887 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.522 11.534 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.243 13.080 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.219 12.695 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.661 12.543 0.867 1.00 0.00 H new ATOM 703 N GLU A 46 2.016 14.664 0.285 1.00 0.00 N ATOM 704 CA GLU A 46 2.590 15.990 0.496 1.00 0.00 C ATOM 705 C GLU A 46 3.449 16.456 -0.686 1.00 0.00 C ATOM 706 O GLU A 46 3.907 17.598 -0.699 1.00 0.00 O ATOM 707 CB GLU A 46 3.412 15.984 1.794 1.00 0.00 C ATOM 708 CG GLU A 46 4.653 15.096 1.677 1.00 0.00 C ATOM 709 CD GLU A 46 5.379 14.946 3.014 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.817 15.981 3.565 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.490 13.787 3.480 1.00 0.00 O ATOM 0 H GLU A 46 2.528 13.920 0.759 1.00 0.00 H new ATOM 0 HA GLU A 46 1.768 16.702 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.715 17.002 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.790 15.632 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.361 14.112 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.335 15.521 0.940 1.00 0.00 H new ATOM 718 N ILE A 47 3.673 15.583 -1.675 1.00 0.00 N ATOM 719 CA ILE A 47 4.465 15.882 -2.868 1.00 0.00 C ATOM 720 C ILE A 47 3.587 15.807 -4.104 1.00 0.00 C ATOM 721 O ILE A 47 3.803 16.561 -5.053 1.00 0.00 O ATOM 722 CB ILE A 47 5.624 14.890 -2.952 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.661 15.141 -1.855 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.312 14.967 -4.313 1.00 0.00 C ATOM 725 CD1 ILE A 47 7.178 16.581 -1.806 1.00 0.00 C ATOM 0 H ILE A 47 3.301 14.633 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 47 4.869 16.892 -2.808 1.00 0.00 H new ATOM 0 HB ILE A 47 5.199 13.896 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.222 14.890 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.505 14.468 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.133 14.251 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.593 14.732 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.701 15.973 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.909 16.678 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.649 16.831 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.346 17.260 -1.623 1.00 0.00 H new ATOM 737 N TYR A 48 2.599 14.914 -4.113 1.00 0.00 N ATOM 738 CA TYR A 48 1.710 14.769 -5.247 1.00 0.00 C ATOM 739 C TYR A 48 1.032 16.090 -5.593 1.00 0.00 C ATOM 740 O TYR A 48 0.818 16.387 -6.766 1.00 0.00 O ATOM 741 CB TYR A 48 0.656 13.717 -4.911 1.00 0.00 C ATOM 742 CG TYR A 48 -0.490 13.705 -5.897 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.244 13.498 -7.262 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.795 13.913 -5.433 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.310 13.524 -8.172 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.863 13.934 -6.339 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.627 13.743 -7.713 1.00 0.00 C ATOM 748 OH TYR A 48 -3.663 13.769 -8.602 1.00 0.00 O ATOM 0 H TYR A 48 2.399 14.280 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 48 2.293 14.459 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.124 12.733 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.267 13.905 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.762 13.319 -7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.978 14.057 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.124 13.376 -9.225 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.869 14.097 -5.982 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.502 13.929 -8.122 1.00 0.00 H new ATOM 758 N GLN A 49 0.697 16.893 -4.580 1.00 0.00 N ATOM 759 CA GLN A 49 0.039 18.173 -4.800 1.00 0.00 C ATOM 760 C GLN A 49 0.953 19.137 -5.552 1.00 0.00 C ATOM 761 O GLN A 49 0.470 20.084 -6.167 1.00 0.00 O ATOM 762 CB GLN A 49 -0.338 18.787 -3.452 1.00 0.00 C ATOM 763 CG GLN A 49 -1.339 17.918 -2.692 1.00 0.00 C ATOM 764 CD GLN A 49 -1.654 18.521 -1.325 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.524 19.723 -1.118 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.067 17.689 -0.377 1.00 0.00 N ATOM 0 H GLN A 49 0.873 16.674 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.854 18.002 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.560 18.919 -2.849 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.764 19.778 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.257 17.821 -3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.934 16.914 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.166 16.694 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.286 18.045 0.554 1.00 0.00 H new ATOM 775 N ARG A 50 2.267 18.897 -5.504 1.00 0.00 N ATOM 776 CA ARG A 50 3.249 19.780 -6.118 1.00 0.00 C ATOM 777 C ARG A 50 3.476 19.432 -7.579 1.00 0.00 C ATOM 778 O ARG A 50 3.674 20.326 -8.397 1.00 0.00 O ATOM 779 CB ARG A 50 4.545 19.691 -5.316 1.00 0.00 C ATOM 780 CG ARG A 50 5.590 20.648 -5.888 1.00 0.00 C ATOM 781 CD ARG A 50 6.836 20.599 -5.006 1.00 0.00 C ATOM 782 NE ARG A 50 6.607 21.230 -3.704 1.00 0.00 N ATOM 783 CZ ARG A 50 6.627 22.550 -3.491 1.00 0.00 C ATOM 784 NH1 ARG A 50 6.859 23.403 -4.488 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.411 23.027 -2.272 1.00 0.00 N ATOM 0 H ARG A 50 2.674 18.086 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 50 2.877 20.805 -6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.352 19.935 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.926 18.670 -5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.840 20.366 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.193 21.662 -5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.137 19.562 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.660 21.101 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 50 6.420 20.622 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.025 23.052 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.871 24.407 -4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.230 22.387 -1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.426 24.034 -2.108 1.00 0.00 H new ATOM 799 N ILE A 51 3.447 18.143 -7.932 1.00 0.00 N ATOM 800 CA ILE A 51 3.577 17.735 -9.327 1.00 0.00 C ATOM 801 C ILE A 51 2.362 18.243 -10.112 1.00 0.00 C ATOM 802 O ILE A 51 2.394 18.320 -11.339 1.00 0.00 O ATOM 803 CB ILE A 51 3.775 16.214 -9.444 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.176 15.796 -8.971 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.676 15.757 -10.902 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.334 15.843 -7.457 1.00 0.00 C ATOM 0 H ILE A 51 3.335 17.372 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 51 4.470 18.183 -9.763 1.00 0.00 H new ATOM 0 HB ILE A 51 2.997 15.761 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.384 14.785 -9.321 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.918 16.451 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.820 14.678 -10.956 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.693 16.012 -11.297 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.445 16.255 -11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.345 15.537 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.156 16.859 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.615 15.167 -6.995 1.00 0.00 H new ATOM 1635 N MET C 1 12.087 0.041 -7.658 1.00 0.00 N ATOM 1636 CA MET C 1 11.537 0.157 -6.295 1.00 0.00 C ATOM 1637 C MET C 1 11.664 1.583 -5.785 1.00 0.00 C ATOM 1638 O MET C 1 12.757 2.135 -5.799 1.00 0.00 O ATOM 1639 CB MET C 1 12.283 -0.758 -5.320 1.00 0.00 C ATOM 1640 CG MET C 1 11.768 -0.594 -3.889 1.00 0.00 C ATOM 1641 SD MET C 1 10.166 -1.367 -3.568 1.00 0.00 S ATOM 1642 CE MET C 1 10.777 -3.044 -3.318 1.00 0.00 C ATOM 0 H1 MET C 1 11.991 -0.940 -7.989 1.00 0.00 H new ATOM 0 H2 MET C 1 11.566 0.674 -8.298 1.00 0.00 H new ATOM 0 H3 MET C 1 13.092 0.307 -7.650 1.00 0.00 H new ATOM 0 HA MET C 1 10.488 -0.134 -6.348 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.167 -1.796 -5.633 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.349 -0.533 -5.352 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.503 -1.015 -3.203 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.694 0.470 -3.664 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.950 -3.694 -3.032 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.223 -3.410 -4.243 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.528 -3.044 -2.528 1.00 0.00 H new ATOM 1654 N LEU C 2 10.555 2.169 -5.334 1.00 0.00 N ATOM 1655 CA LEU C 2 10.555 3.491 -4.729 1.00 0.00 C ATOM 1656 C LEU C 2 9.925 3.339 -3.345 1.00 0.00 C ATOM 1657 O LEU C 2 8.708 3.196 -3.223 1.00 0.00 O ATOM 1658 CB LEU C 2 9.799 4.467 -5.645 1.00 0.00 C ATOM 1659 CG LEU C 2 9.913 5.951 -5.263 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.619 6.403 -4.612 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.055 6.281 -4.305 1.00 0.00 C ATOM 0 H LEU C 2 9.633 1.736 -5.380 1.00 0.00 H new ATOM 0 HA LEU C 2 11.556 3.905 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.167 4.342 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.745 4.191 -5.651 1.00 0.00 H new ATOM 0 HG LEU C 2 10.120 6.473 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.697 7.456 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.794 6.269 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.436 5.809 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.055 7.350 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU C 2 10.922 5.728 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.005 6.001 -4.761 1.00 0.00 H new ATOM 1673 N ILE C 3 10.759 3.363 -2.302 1.00 0.00 N ATOM 1674 CA ILE C 3 10.315 3.243 -0.922 1.00 0.00 C ATOM 1675 C ILE C 3 9.833 4.602 -0.432 1.00 0.00 C ATOM 1676 O ILE C 3 10.362 5.641 -0.827 1.00 0.00 O ATOM 1677 CB ILE C 3 11.446 2.765 0.006 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.894 1.337 -0.305 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.949 2.762 1.456 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.987 1.303 -1.370 1.00 0.00 C ATOM 0 H ILE C 3 11.769 3.467 -2.399 1.00 0.00 H new ATOM 0 HA ILE C 3 9.512 2.506 -0.895 1.00 0.00 H new ATOM 0 HB ILE C 3 12.282 3.448 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.260 0.865 0.607 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.038 0.754 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.749 2.424 2.114 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.648 3.771 1.740 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.096 2.090 1.547 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.277 0.270 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.612 1.751 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.854 1.864 -1.020 1.00 0.00 H new ATOM 1692 N LEU C 4 8.823 4.573 0.437 1.00 0.00 N ATOM 1693 CA LEU C 4 8.326 5.738 1.139 1.00 0.00 C ATOM 1694 C LEU C 4 7.998 5.310 2.565 1.00 0.00 C ATOM 1695 O LEU C 4 7.727 4.132 2.811 1.00 0.00 O ATOM 1696 CB LEU C 4 7.076 6.273 0.432 1.00 0.00 C ATOM 1697 CG LEU C 4 7.352 6.796 -0.983 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.030 7.180 -1.647 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.255 8.028 -0.951 1.00 0.00 C ATOM 0 H LEU C 4 8.322 3.716 0.672 1.00 0.00 H new ATOM 0 HA LEU C 4 9.070 6.535 1.151 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.330 5.480 0.379 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.645 7.076 1.030 1.00 0.00 H new ATOM 0 HG LEU C 4 7.852 6.006 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.223 7.552 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.383 6.305 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.540 7.957 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.433 8.375 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.772 8.818 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.206 7.770 -0.485 1.00 0.00 H new ATOM 1711 N THR C 5 8.017 6.256 3.501 1.00 0.00 N ATOM 1712 CA THR C 5 7.618 5.983 4.873 1.00 0.00 C ATOM 1713 C THR C 5 6.398 6.809 5.219 1.00 0.00 C ATOM 1714 O THR C 5 6.248 7.943 4.761 1.00 0.00 O ATOM 1715 CB THR C 5 8.746 6.289 5.865 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.289 7.564 5.623 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.862 5.257 5.769 1.00 0.00 C ATOM 0 H THR C 5 8.306 7.219 3.330 1.00 0.00 H new ATOM 0 HA THR C 5 7.386 4.921 4.950 1.00 0.00 H new ATOM 0 HB THR C 5 8.312 6.256 6.864 1.00 0.00 H new ATOM 0 HG1 THR C 5 10.006 7.742 6.267 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.647 5.502 6.485 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.463 4.268 5.992 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.276 5.262 4.761 1.00 0.00 H new ATOM 1725 N ARG C 6 5.523 6.227 6.036 1.00 0.00 N ATOM 1726 CA ARG C 6 4.301 6.873 6.488 1.00 0.00 C ATOM 1727 C ARG C 6 4.044 6.458 7.930 1.00 0.00 C ATOM 1728 O ARG C 6 4.637 5.499 8.415 1.00 0.00 O ATOM 1729 CB ARG C 6 3.115 6.423 5.623 1.00 0.00 C ATOM 1730 CG ARG C 6 3.173 6.863 4.157 1.00 0.00 C ATOM 1731 CD ARG C 6 2.793 8.331 3.946 1.00 0.00 C ATOM 1732 NE ARG C 6 3.832 9.260 4.396 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.858 10.554 4.079 1.00 0.00 C ATOM 1734 NH1 ARG C 6 2.915 11.080 3.296 1.00 0.00 N ATOM 1735 NH2 ARG C 6 4.825 11.335 4.540 1.00 0.00 N ATOM 0 H ARG C 6 5.647 5.284 6.404 1.00 0.00 H new ATOM 0 HA ARG C 6 4.409 7.955 6.410 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.053 5.335 5.657 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.196 6.808 6.065 1.00 0.00 H new ATOM 0 HG2 ARG C 6 4.181 6.698 3.776 1.00 0.00 H new ATOM 0 HG3 ARG C 6 2.503 6.234 3.570 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.595 8.501 2.888 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.868 8.542 4.482 1.00 0.00 H new ATOM 0 HE ARG C 6 4.579 8.895 4.987 1.00 0.00 H new ATOM 0 HH11 ARG C 6 2.165 10.491 2.934 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.944 12.072 3.059 1.00 0.00 H new ATOM 0 HH21 ARG C 6 5.553 10.946 5.140 1.00 0.00 H new ATOM 0 HH22 ARG C 6 4.841 12.325 4.295 1.00 0.00 H new ATOM 1749 N LYS C 7 3.157 7.189 8.604 1.00 0.00 N ATOM 1750 CA LYS C 7 2.705 6.875 9.955 1.00 0.00 C ATOM 1751 C LYS C 7 1.228 6.519 9.831 1.00 0.00 C ATOM 1752 O LYS C 7 0.565 7.016 8.920 1.00 0.00 O ATOM 1753 CB LYS C 7 2.897 8.110 10.845 1.00 0.00 C ATOM 1754 CG LYS C 7 3.258 7.821 12.302 1.00 0.00 C ATOM 1755 CD LYS C 7 4.694 7.311 12.451 1.00 0.00 C ATOM 1756 CE LYS C 7 5.122 7.270 13.922 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.108 8.614 14.530 1.00 0.00 N ATOM 0 H LYS C 7 2.726 8.029 8.219 1.00 0.00 H new ATOM 0 HA LYS C 7 3.263 6.052 10.402 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.681 8.731 10.411 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.978 8.697 10.826 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.133 8.729 12.892 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.567 7.081 12.706 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.774 6.313 12.019 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.371 7.956 11.891 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.454 6.612 14.478 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.123 6.846 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.718 8.620 15.372 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.460 9.310 13.842 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.136 8.861 14.805 1.00 0.00 H new ATOM 1771 N VAL C 8 0.687 5.677 10.714 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.714 5.293 10.592 1.00 0.00 C ATOM 1773 C VAL C 8 -1.602 6.541 10.589 1.00 0.00 C ATOM 1774 O VAL C 8 -1.604 7.310 11.549 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.124 4.269 11.660 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.197 3.056 11.578 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.081 4.805 13.088 1.00 0.00 C ATOM 0 H VAL C 8 1.185 5.259 11.500 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.854 4.788 9.637 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.161 4.010 11.445 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.485 2.326 12.335 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.276 2.604 10.589 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.832 3.372 11.751 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.384 4.020 13.781 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.067 5.126 13.326 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.761 5.652 13.179 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.354 6.737 9.501 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.213 7.899 9.329 1.00 0.00 C ATOM 1789 C GLY C 9 -2.765 8.810 8.184 1.00 0.00 C ATOM 1790 O GLY C 9 -3.354 9.874 7.993 1.00 0.00 O ATOM 0 H GLY C 9 -2.380 6.087 8.715 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.234 7.565 9.142 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.230 8.472 10.256 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.739 8.418 7.419 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.222 9.219 6.313 1.00 0.00 C ATOM 1796 C GLU C 10 -1.477 8.529 4.970 1.00 0.00 C ATOM 1797 O GLU C 10 -2.068 7.448 4.928 1.00 0.00 O ATOM 1798 CB GLU C 10 0.272 9.483 6.525 1.00 0.00 C ATOM 1799 CG GLU C 10 0.519 10.290 7.803 1.00 0.00 C ATOM 1800 CD GLU C 10 1.997 10.653 7.952 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.846 9.804 7.596 1.00 0.00 O ATOM 1802 OE2 GLU C 10 2.265 11.782 8.426 1.00 0.00 O ATOM 0 H GLU C 10 -1.246 7.535 7.553 1.00 0.00 H new ATOM 0 HA GLU C 10 -1.747 10.174 6.291 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.806 8.535 6.582 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.673 10.024 5.668 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.081 11.200 7.783 1.00 0.00 H new ATOM 0 HG3 GLU C 10 0.195 9.713 8.669 1.00 0.00 H new ATOM 1809 N SER C 11 -1.030 9.144 3.866 1.00 0.00 N ATOM 1810 CA SER C 11 -1.375 8.674 2.527 1.00 0.00 C ATOM 1811 C SER C 11 -0.239 8.832 1.523 1.00 0.00 C ATOM 1812 O SER C 11 0.754 9.509 1.785 1.00 0.00 O ATOM 1813 CB SER C 11 -2.593 9.461 2.028 1.00 0.00 C ATOM 1814 OG SER C 11 -3.715 9.230 2.857 1.00 0.00 O ATOM 0 H SER C 11 -0.429 9.968 3.879 1.00 0.00 H new ATOM 0 HA SER C 11 -1.588 7.608 2.603 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.361 10.526 2.011 1.00 0.00 H new ATOM 0 HB3 SER C 11 -2.826 9.169 1.004 1.00 0.00 H new ATOM 0 HG SER C 11 -4.480 9.742 2.522 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.409 8.184 0.365 1.00 0.00 N ATOM 1821 CA ILE C 12 0.525 8.156 -0.753 1.00 0.00 C ATOM 1822 C ILE C 12 -0.300 8.180 -2.044 1.00 0.00 C ATOM 1823 O ILE C 12 -1.505 7.939 -2.005 1.00 0.00 O ATOM 1824 CB ILE C 12 1.405 6.892 -0.658 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.121 6.838 0.703 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.438 6.826 -1.789 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.015 5.607 0.852 1.00 0.00 C ATOM 0 H ILE C 12 -1.249 7.637 0.178 1.00 0.00 H new ATOM 0 HA ILE C 12 1.194 9.017 -0.738 1.00 0.00 H new ATOM 0 HB ILE C 12 0.744 6.031 -0.757 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.724 7.737 0.827 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.378 6.840 1.500 1.00 0.00 H new ATOM 0 HG21 ILE C 12 3.036 5.921 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.925 6.812 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE C 12 3.089 7.699 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.494 5.622 1.831 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.411 4.705 0.757 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.778 5.615 0.074 1.00 0.00 H new ATOM 1839 N ASN C 13 0.325 8.462 -3.191 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.371 8.585 -4.469 1.00 0.00 C ATOM 1841 C ASN C 13 0.370 7.840 -5.575 1.00 0.00 C ATOM 1842 O ASN C 13 1.583 7.652 -5.512 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.506 10.063 -4.847 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.644 10.727 -4.093 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.419 11.022 -2.818 1.00 0.00 O flip ATOM 1846 ND2 ASN C 13 -2.711 10.972 -4.645 1.00 0.00 N flip ATOM 0 H ASN C 13 1.332 8.611 -3.256 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.360 8.141 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.428 10.582 -4.630 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.678 10.151 -5.920 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -2.845 10.730 -5.627 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.465 11.418 -4.123 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.391 7.419 -6.587 1.00 0.00 N ATOM 1854 CA ILE C 14 0.118 6.676 -7.731 1.00 0.00 C ATOM 1855 C ILE C 14 -0.658 7.108 -8.977 1.00 0.00 C ATOM 1856 O ILE C 14 -1.868 7.336 -8.917 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.040 5.163 -7.497 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.656 4.737 -6.196 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.549 4.396 -8.686 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.516 3.241 -5.918 1.00 0.00 C ATOM 0 H ILE C 14 -1.396 7.590 -6.631 1.00 0.00 H new ATOM 0 HA ILE C 14 1.179 6.887 -7.867 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.101 4.931 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.714 4.995 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.235 5.299 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.437 3.325 -8.520 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.023 4.679 -9.598 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.607 4.639 -8.787 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.026 2.995 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.540 2.984 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.962 2.676 -6.736 1.00 0.00 H new ATOM 1872 N GLY C 15 0.036 7.217 -10.113 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.570 7.655 -11.356 1.00 0.00 C ATOM 1874 C GLY C 15 -1.243 9.009 -11.159 1.00 0.00 C ATOM 1875 O GLY C 15 -0.708 9.890 -10.485 1.00 0.00 O ATOM 0 H GLY C 15 1.030 7.003 -10.189 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.189 7.727 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.302 6.921 -11.692 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.424 9.164 -11.760 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.238 10.366 -11.639 1.00 0.00 C ATOM 1881 C ASP C 16 -4.671 9.975 -11.272 1.00 0.00 C ATOM 1882 O ASP C 16 -5.573 10.810 -11.314 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.196 11.151 -12.950 1.00 0.00 C ATOM 1884 CG ASP C 16 -1.780 11.614 -13.285 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -1.360 12.647 -12.720 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -1.127 10.931 -14.108 1.00 0.00 O ATOM 0 H ASP C 16 -2.844 8.447 -12.351 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.843 11.005 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.576 10.528 -13.760 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.854 12.017 -12.877 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.878 8.702 -10.912 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.198 8.158 -10.619 1.00 0.00 C ATOM 1893 C ASP C 17 -6.168 7.179 -9.443 1.00 0.00 C ATOM 1894 O ASP C 17 -7.169 6.510 -9.191 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.746 7.462 -11.866 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.908 8.429 -13.035 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.934 9.149 -13.053 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.005 8.444 -13.903 1.00 0.00 O ATOM 0 H ASP C 17 -4.125 8.021 -10.817 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.848 8.985 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.074 6.653 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.710 7.009 -11.634 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.048 7.073 -8.716 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.958 6.143 -7.600 1.00 0.00 C ATOM 1905 C ILE C 18 -4.352 6.829 -6.377 1.00 0.00 C ATOM 1906 O ILE C 18 -3.485 7.696 -6.500 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.133 4.905 -7.988 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.697 4.177 -9.218 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.107 3.918 -6.818 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.056 4.687 -10.512 1.00 0.00 C ATOM 0 H ILE C 18 -4.202 7.618 -8.884 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.966 5.816 -7.347 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.131 5.259 -8.232 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.521 3.106 -9.121 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.777 4.320 -9.264 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.522 3.041 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.655 4.396 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.125 3.613 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.477 4.151 -11.363 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.254 5.753 -10.621 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.979 4.520 -10.475 1.00 0.00 H new ATOM 1922 N THR C 19 -4.815 6.420 -5.193 1.00 0.00 N ATOM 1923 CA THR C 19 -4.340 6.925 -3.915 1.00 0.00 C ATOM 1924 C THR C 19 -4.259 5.757 -2.937 1.00 0.00 C ATOM 1925 O THR C 19 -4.954 4.759 -3.110 1.00 0.00 O ATOM 1926 CB THR C 19 -5.302 8.005 -3.399 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.493 8.986 -4.392 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.758 8.696 -2.147 1.00 0.00 C ATOM 0 H THR C 19 -5.545 5.714 -5.101 1.00 0.00 H new ATOM 0 HA THR C 19 -3.353 7.374 -4.023 1.00 0.00 H new ATOM 0 HB THR C 19 -6.242 7.511 -3.152 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.108 9.672 -4.060 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.467 9.453 -1.812 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.615 7.958 -1.357 1.00 0.00 H new ATOM 0 HG23 THR C 19 -3.804 9.169 -2.378 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.410 5.883 -1.915 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.166 4.842 -0.927 1.00 0.00 C ATOM 1938 C ILE C 20 -3.204 5.477 0.461 1.00 0.00 C ATOM 1939 O ILE C 20 -2.849 6.646 0.607 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.784 4.214 -1.173 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.572 3.754 -2.623 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.544 3.047 -0.214 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.450 2.563 -3.002 1.00 0.00 C ATOM 0 H ILE C 20 -2.865 6.729 -1.752 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.926 4.064 -1.003 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.056 5.003 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.783 4.584 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.525 3.487 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.561 2.616 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.590 3.406 0.814 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.309 2.286 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.256 2.283 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.222 1.720 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.500 2.835 -2.890 1.00 0.00 H new ATOM 1955 N THR C 21 -3.626 4.720 1.478 1.00 0.00 N ATOM 1956 CA THR C 21 -3.708 5.223 2.842 1.00 0.00 C ATOM 1957 C THR C 21 -3.352 4.116 3.825 1.00 0.00 C ATOM 1958 O THR C 21 -3.927 3.028 3.781 1.00 0.00 O ATOM 1959 CB THR C 21 -5.128 5.728 3.116 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.478 6.716 2.174 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.244 6.339 4.510 1.00 0.00 C ATOM 0 H THR C 21 -3.918 3.748 1.375 1.00 0.00 H new ATOM 0 HA THR C 21 -3.003 6.045 2.966 1.00 0.00 H new ATOM 0 HB THR C 21 -5.797 4.871 3.043 1.00 0.00 H new ATOM 0 HG1 THR C 21 -4.967 7.533 2.352 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.264 6.687 4.671 1.00 0.00 H new ATOM 0 HG22 THR C 21 -4.995 5.587 5.259 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.556 7.180 4.597 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.399 4.392 4.716 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.011 3.458 5.759 1.00 0.00 C ATOM 1971 C ILE C 22 -3.022 3.556 6.903 1.00 0.00 C ATOM 1972 O ILE C 22 -2.921 4.427 7.768 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.558 3.711 6.200 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.199 2.925 7.468 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.262 5.191 6.445 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.411 1.425 7.283 1.00 0.00 C ATOM 0 H ILE C 22 -1.879 5.269 4.730 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.030 2.434 5.387 1.00 0.00 H new ATOM 0 HB ILE C 22 0.055 3.365 5.368 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.841 3.115 7.732 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.808 3.279 8.300 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.777 5.308 6.753 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.434 5.753 5.527 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -0.918 5.568 7.229 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.146 0.904 8.203 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.457 1.232 7.045 1.00 0.00 H new ATOM 0 HD13 ILE C 22 0.218 1.066 6.468 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.012 2.658 6.900 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.094 2.683 7.875 1.00 0.00 C ATOM 1990 C LEU C 23 -4.598 2.291 9.264 1.00 0.00 C ATOM 1991 O LEU C 23 -5.110 2.797 10.264 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.203 1.728 7.430 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.660 1.995 5.995 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -7.756 1.008 5.616 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.217 3.406 5.830 1.00 0.00 C ATOM 0 H LEU C 23 -4.081 1.899 6.223 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.482 3.700 7.932 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.848 0.701 7.510 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.054 1.825 8.104 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.788 1.882 5.350 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.080 1.200 4.593 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.371 -0.009 5.690 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.602 1.126 6.293 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.530 3.555 4.797 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.073 3.539 6.491 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.446 4.134 6.084 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.610 1.393 9.343 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.029 1.035 10.628 1.00 0.00 C ATOM 2009 C GLY C 24 -2.297 -0.302 10.579 1.00 0.00 C ATOM 2010 O GLY C 24 -2.125 -0.881 9.511 1.00 0.00 O ATOM 0 H GLY C 24 -3.205 0.910 8.541 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.335 1.815 10.941 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.817 0.988 11.380 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.863 -0.793 11.747 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.184 -2.084 11.855 1.00 0.00 C ATOM 2016 C VAL C 25 -1.726 -2.868 13.047 1.00 0.00 C ATOM 2017 O VAL C 25 -2.346 -2.297 13.945 1.00 0.00 O ATOM 2018 CB VAL C 25 0.343 -1.908 11.981 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.861 -0.812 11.044 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.759 -1.580 13.414 1.00 0.00 C ATOM 0 H VAL C 25 -1.973 -0.307 12.637 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.382 -2.644 10.941 1.00 0.00 H new ATOM 0 HB VAL C 25 0.787 -2.862 11.695 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.941 -0.715 11.159 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.628 -1.075 10.012 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.383 0.135 11.293 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.842 -1.464 13.461 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.280 -0.653 13.729 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.452 -2.389 14.076 1.00 0.00 H new ATOM 2030 N SER C 26 -1.484 -4.178 13.055 1.00 0.00 N ATOM 2031 CA SER C 26 -1.834 -5.051 14.165 1.00 0.00 C ATOM 2032 C SER C 26 -0.884 -6.244 14.146 1.00 0.00 C ATOM 2033 O SER C 26 -0.901 -7.043 13.210 1.00 0.00 O ATOM 2034 CB SER C 26 -3.296 -5.496 14.056 1.00 0.00 C ATOM 2035 OG SER C 26 -3.577 -6.059 12.790 1.00 0.00 O ATOM 0 H SER C 26 -1.034 -4.665 12.280 1.00 0.00 H new ATOM 0 HA SER C 26 -1.732 -4.522 15.113 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.513 -6.226 14.836 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.951 -4.642 14.228 1.00 0.00 H new ATOM 0 HG SER C 26 -4.517 -6.333 12.755 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.047 -6.366 15.177 1.00 0.00 N ATOM 2042 CA GLY C 27 1.011 -7.362 15.204 1.00 0.00 C ATOM 2043 C GLY C 27 2.006 -7.076 14.095 1.00 0.00 C ATOM 2044 O GLY C 27 2.873 -6.218 14.253 1.00 0.00 O ATOM 0 H GLY C 27 -0.087 -5.778 16.010 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.514 -7.347 16.171 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.589 -8.359 15.080 1.00 0.00 H new ATOM 2048 N GLN C 28 1.882 -7.795 12.979 1.00 0.00 N ATOM 2049 CA GLN C 28 2.689 -7.567 11.788 1.00 0.00 C ATOM 2050 C GLN C 28 1.799 -7.364 10.568 1.00 0.00 C ATOM 2051 O GLN C 28 2.311 -7.177 9.467 1.00 0.00 O ATOM 2052 CB GLN C 28 3.648 -8.733 11.551 1.00 0.00 C ATOM 2053 CG GLN C 28 4.786 -8.794 12.568 1.00 0.00 C ATOM 2054 CD GLN C 28 5.718 -7.587 12.482 1.00 0.00 C ATOM 2055 OE1 GLN C 28 6.788 -7.663 11.888 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.327 -6.460 13.068 1.00 0.00 N ATOM 0 H GLN C 28 1.212 -8.558 12.879 1.00 0.00 H new ATOM 0 HA GLN C 28 3.276 -6.663 11.947 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.088 -9.668 11.586 1.00 0.00 H new ATOM 0 HB3 GLN C 28 4.069 -8.650 10.549 1.00 0.00 H new ATOM 0 HG2 GLN C 28 4.367 -8.854 13.573 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.362 -9.705 12.408 1.00 0.00 H new ATOM 0 HE21 GLN C 28 4.432 -6.423 13.556 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.922 -5.632 13.030 1.00 0.00 H new ATOM 2065 N GLN C 29 0.476 -7.399 10.751 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.435 -7.047 9.681 1.00 0.00 C ATOM 2067 C GLN C 29 -0.417 -5.537 9.495 1.00 0.00 C ATOM 2068 O GLN C 29 -0.017 -4.794 10.389 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.871 -7.464 9.999 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.090 -8.958 9.801 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.577 -9.253 9.731 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.089 -9.623 8.679 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.281 -9.089 10.845 1.00 0.00 N ATOM 0 H GLN C 29 0.024 -7.666 11.625 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.109 -7.568 8.781 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.106 -7.197 11.029 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.559 -6.909 9.361 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.601 -9.289 8.885 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.638 -9.514 10.623 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.818 -8.780 11.700 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.284 -9.272 10.846 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.864 -5.092 8.323 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.016 -3.692 8.011 1.00 0.00 C ATOM 2084 C VAL C 30 -2.297 -3.553 7.213 1.00 0.00 C ATOM 2085 O VAL C 30 -2.416 -4.151 6.143 1.00 0.00 O ATOM 2086 CB VAL C 30 0.178 -3.209 7.185 1.00 0.00 C ATOM 2087 CG1 VAL C 30 0.013 -1.723 6.891 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.495 -3.405 7.938 1.00 0.00 C ATOM 0 H VAL C 30 -1.132 -5.712 7.558 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.059 -3.090 8.919 1.00 0.00 H new ATOM 0 HB VAL C 30 0.208 -3.792 6.264 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.861 -1.372 6.302 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.908 -1.563 6.331 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.032 -1.169 7.829 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.322 -3.051 7.322 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.469 -2.840 8.870 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.634 -4.463 8.159 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.250 -2.769 7.726 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.423 -2.407 6.955 1.00 0.00 C ATOM 2100 C ARG C 31 -4.020 -1.279 6.025 1.00 0.00 C ATOM 2101 O ARG C 31 -3.567 -0.225 6.477 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.566 -1.919 7.847 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.342 -3.068 8.481 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.746 -2.582 8.852 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.720 -1.501 9.843 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.800 -0.779 10.166 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -9.973 -1.016 9.589 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.709 0.189 11.072 1.00 0.00 N ATOM 0 H ARG C 31 -3.225 -2.379 8.668 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.777 -3.284 6.414 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.162 -1.280 8.633 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.247 -1.306 7.257 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.406 -3.906 7.787 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -5.822 -3.428 9.369 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.257 -2.235 7.954 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.325 -3.418 9.245 1.00 0.00 H new ATOM 0 HE ARG C 31 -6.837 -1.289 10.308 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.058 -1.755 8.891 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.789 -0.459 9.844 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.815 0.383 11.523 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.533 0.738 11.316 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.191 -1.516 4.728 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.859 -0.551 3.702 1.00 0.00 C ATOM 2124 C ILE C 32 -5.112 -0.315 2.869 1.00 0.00 C ATOM 2125 O ILE C 32 -5.706 -1.259 2.354 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.712 -1.077 2.828 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.578 -1.650 3.694 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.210 0.062 1.936 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.367 -2.080 2.869 1.00 0.00 C ATOM 0 H ILE C 32 -4.567 -2.391 4.364 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.525 0.386 4.148 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.075 -1.891 2.201 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.269 -0.901 4.423 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -1.952 -2.506 4.256 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.394 -0.299 1.310 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.025 0.415 1.303 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.853 0.882 2.559 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.402 -2.477 3.532 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.666 -2.850 2.158 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.028 -1.220 2.328 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.511 0.953 2.740 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.663 1.333 1.949 1.00 0.00 C ATOM 2143 C GLY C 33 -6.182 1.814 0.590 1.00 0.00 C ATOM 2144 O GLY C 33 -5.078 2.347 0.472 1.00 0.00 O ATOM 0 H GLY C 33 -5.037 1.739 3.185 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.338 0.485 1.833 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.224 2.121 2.452 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.012 1.624 -0.432 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.685 2.042 -1.786 1.00 0.00 C ATOM 2150 C ILE C 34 -7.914 2.716 -2.375 1.00 0.00 C ATOM 2151 O ILE C 34 -9.041 2.313 -2.085 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.252 0.821 -2.613 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.062 0.133 -1.930 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.891 1.281 -4.030 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.605 -1.127 -2.658 1.00 0.00 C ATOM 0 H ILE C 34 -7.925 1.178 -0.343 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.854 2.748 -1.792 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.066 0.099 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.229 0.834 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.336 -0.124 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.582 0.421 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.760 1.749 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.074 2.001 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.761 -1.568 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.425 -1.844 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.301 -0.871 -3.673 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.701 3.737 -3.201 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.788 4.493 -3.793 1.00 0.00 C ATOM 2169 C ASN C 35 -8.492 4.696 -5.268 1.00 0.00 C ATOM 2170 O ASN C 35 -7.645 5.505 -5.642 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.946 5.818 -3.044 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.199 6.569 -3.468 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.965 6.109 -4.309 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.412 7.744 -2.885 1.00 0.00 N ATOM 0 H ASN C 35 -6.772 4.058 -3.474 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.733 3.956 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.985 5.625 -1.972 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.071 6.443 -3.224 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.234 8.295 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.753 8.095 -2.190 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.206 3.945 -6.103 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.042 3.960 -7.543 1.00 0.00 C ATOM 2183 C ALA C 36 -10.399 3.711 -8.201 1.00 0.00 C ATOM 2184 O ALA C 36 -11.278 3.109 -7.582 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.054 2.852 -7.921 1.00 0.00 C ATOM 0 H ALA C 36 -9.928 3.298 -5.785 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.660 4.923 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.914 2.843 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.097 3.035 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.447 1.888 -7.598 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.596 4.164 -9.448 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.823 3.931 -10.190 1.00 0.00 C ATOM 2193 C PRO C 37 -11.916 2.470 -10.611 1.00 0.00 C ATOM 2194 O PRO C 37 -10.895 1.807 -10.782 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.714 4.836 -11.415 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.210 4.943 -11.656 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.646 4.933 -10.234 1.00 0.00 C ATOM 0 HA PRO C 37 -12.713 4.146 -9.599 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.228 4.408 -12.276 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.160 5.813 -11.231 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.833 4.109 -12.248 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.948 5.857 -12.190 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.655 4.479 -10.207 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.543 5.946 -9.845 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.135 1.950 -10.784 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.339 0.588 -11.272 1.00 0.00 C ATOM 2207 C LYS C 38 -12.847 0.460 -12.717 1.00 0.00 C ATOM 2208 O LYS C 38 -12.842 -0.635 -13.278 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.818 0.210 -11.150 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.273 0.159 -9.682 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.605 -0.976 -8.894 1.00 0.00 C ATOM 2212 CE LYS C 38 -14.986 -2.361 -9.421 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.444 -2.593 -9.320 1.00 0.00 N ATOM 0 H LYS C 38 -13.998 2.458 -10.591 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.758 -0.104 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.425 0.934 -11.694 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.985 -0.761 -11.617 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.046 1.111 -9.202 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.355 0.033 -9.645 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.522 -0.858 -8.942 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.888 -0.900 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.672 -2.456 -10.460 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -14.454 -3.126 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.648 -3.599 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.773 -2.329 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -16.937 -2.015 -10.030 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.432 1.585 -13.316 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.788 1.625 -14.618 1.00 0.00 C ATOM 2229 C ASP C 39 -10.401 0.981 -14.566 1.00 0.00 C ATOM 2230 O ASP C 39 -9.784 0.771 -15.612 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.677 3.083 -15.070 1.00 0.00 C ATOM 2232 CG ASP C 39 -13.048 3.666 -15.398 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -13.495 3.472 -16.552 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -13.640 4.301 -14.495 1.00 0.00 O ATOM 0 H ASP C 39 -12.541 2.507 -12.893 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.389 1.059 -15.330 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -11.206 3.675 -14.285 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -11.033 3.146 -15.947 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.913 0.667 -13.360 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.638 -0.009 -13.156 1.00 0.00 C ATOM 2241 C VAL C 40 -8.797 -1.045 -12.050 1.00 0.00 C ATOM 2242 O VAL C 40 -9.741 -0.984 -11.261 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.515 0.986 -12.817 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.419 2.085 -13.876 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.726 1.650 -11.455 1.00 0.00 C ATOM 0 H VAL C 40 -10.403 0.880 -12.491 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.351 -0.505 -14.084 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.592 0.406 -12.791 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.618 2.775 -13.613 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.208 1.637 -14.847 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.363 2.627 -13.924 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.909 2.344 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.671 2.193 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.749 0.886 -10.678 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.875 -2.009 -11.982 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.993 -3.118 -11.052 1.00 0.00 C ATOM 2257 C ALA C 41 -7.028 -2.969 -9.877 1.00 0.00 C ATOM 2258 O ALA C 41 -6.009 -2.288 -9.982 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.722 -4.418 -11.815 1.00 0.00 C ATOM 0 H ALA C 41 -7.039 -2.037 -12.565 1.00 0.00 H new ATOM 0 HA ALA C 41 -9.000 -3.132 -10.634 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.806 -5.264 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.450 -4.526 -12.619 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.717 -4.390 -12.236 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.359 -3.613 -8.754 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.503 -3.642 -7.574 1.00 0.00 C ATOM 2267 C VAL C 42 -6.790 -4.915 -6.779 1.00 0.00 C ATOM 2268 O VAL C 42 -7.947 -5.238 -6.529 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.732 -2.377 -6.733 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.210 -2.080 -6.510 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.067 -2.481 -5.365 1.00 0.00 C ATOM 0 H VAL C 42 -8.232 -4.129 -8.642 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.453 -3.654 -7.868 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.285 -1.567 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.313 -1.176 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.701 -1.935 -7.472 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.675 -2.917 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.252 -1.567 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.480 -3.332 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -4.993 -2.618 -5.492 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.734 -5.636 -6.385 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.869 -6.905 -5.676 1.00 0.00 C ATOM 2283 C HIS C 43 -4.598 -7.216 -4.897 1.00 0.00 C ATOM 2284 O HIS C 43 -3.560 -6.606 -5.143 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.064 -8.043 -6.686 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.163 -7.816 -7.681 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.513 -8.106 -7.478 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.995 -7.293 -8.929 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.130 -7.749 -8.613 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.245 -7.264 -9.504 1.00 0.00 N ATOM 0 H HIS C 43 -4.768 -5.354 -6.550 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.722 -6.823 -5.002 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.129 -8.196 -7.226 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.271 -8.964 -6.140 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.940 -8.505 -6.642 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.068 -6.967 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.192 -7.838 -8.789 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.661 -8.165 -3.956 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.450 -8.642 -3.300 1.00 0.00 C ATOM 2300 C ARG C 44 -2.675 -9.502 -4.300 1.00 0.00 C ATOM 2301 O ARG C 44 -3.233 -9.933 -5.308 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.802 -9.378 -2.005 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.082 -10.861 -2.240 1.00 0.00 C ATOM 2304 CD ARG C 44 -4.738 -11.486 -1.008 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.179 -11.211 -0.995 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.121 -12.157 -1.060 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.818 -13.451 -1.052 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.403 -11.815 -1.134 1.00 0.00 N ATOM 0 H ARG C 44 -5.524 -8.608 -3.640 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.808 -7.813 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -2.981 -9.273 -1.295 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -4.677 -8.913 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -4.733 -10.981 -3.106 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -3.151 -11.381 -2.467 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.568 -12.563 -1.005 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -4.278 -11.088 -0.103 1.00 0.00 H new ATOM 0 HE ARG C 44 -6.480 -10.239 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -5.843 -13.746 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -7.560 -14.149 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.669 -10.830 -1.141 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -9.121 -12.537 -1.184 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.394 -9.764 -4.034 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.532 -10.458 -4.989 1.00 0.00 C ATOM 2324 C GLU C 45 -1.033 -11.864 -5.335 1.00 0.00 C ATOM 2325 O GLU C 45 -0.719 -12.370 -6.414 1.00 0.00 O ATOM 2326 CB GLU C 45 0.890 -10.466 -4.417 1.00 0.00 C ATOM 2327 CG GLU C 45 1.944 -10.865 -5.455 1.00 0.00 C ATOM 2328 CD GLU C 45 2.152 -12.377 -5.564 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.657 -13.119 -4.687 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.816 -12.790 -6.544 1.00 0.00 O ATOM 0 H GLU C 45 -0.931 -9.505 -3.163 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.545 -9.926 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.126 -9.475 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.935 -11.158 -3.576 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.648 -10.476 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.892 -10.393 -5.198 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.809 -12.504 -4.452 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.378 -13.819 -4.734 1.00 0.00 C ATOM 2339 C GLU C 46 -3.471 -13.715 -5.791 1.00 0.00 C ATOM 2340 O GLU C 46 -3.465 -14.434 -6.790 1.00 0.00 O ATOM 2341 CB GLU C 46 -3.028 -14.366 -3.460 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.604 -15.770 -3.672 1.00 0.00 C ATOM 2343 CD GLU C 46 -2.499 -16.796 -3.917 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -1.818 -17.160 -2.936 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -2.343 -17.210 -5.089 1.00 0.00 O ATOM 0 H GLU C 46 -2.055 -12.128 -3.536 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.578 -14.470 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.290 -14.393 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -3.822 -13.692 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -4.186 -16.062 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.288 -15.760 -4.521 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.417 -12.806 -5.549 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.625 -12.676 -6.342 1.00 0.00 C ATOM 2354 C ILE C 47 -5.326 -12.033 -7.687 1.00 0.00 C ATOM 2355 O ILE C 47 -5.988 -12.355 -8.671 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.630 -11.850 -5.539 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -7.001 -12.560 -4.230 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.896 -11.597 -6.347 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.379 -14.028 -4.417 1.00 0.00 C ATOM 0 H ILE C 47 -4.358 -12.133 -4.784 1.00 0.00 H new ATOM 0 HA ILE C 47 -6.044 -13.660 -6.553 1.00 0.00 H new ATOM 0 HB ILE C 47 -6.156 -10.896 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -6.160 -12.495 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.836 -12.035 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.595 -11.007 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.644 -11.053 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.357 -12.549 -6.609 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.629 -14.465 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.240 -14.100 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.538 -14.568 -4.853 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.342 -11.131 -7.756 1.00 0.00 N ATOM 2372 CA TYR C 48 -4.005 -10.482 -9.010 1.00 0.00 C ATOM 2373 C TYR C 48 -3.719 -11.508 -10.102 1.00 0.00 C ATOM 2374 O TYR C 48 -4.138 -11.332 -11.244 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.783 -9.589 -8.802 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.160 -9.134 -10.101 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.970 -8.667 -11.148 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.770 -9.200 -10.259 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.391 -8.308 -12.371 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.182 -8.821 -11.473 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.995 -8.375 -12.537 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.426 -8.020 -13.723 1.00 0.00 O ATOM 0 H TYR C 48 -3.773 -10.841 -6.961 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.855 -9.880 -9.330 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.073 -8.715 -8.218 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -2.039 -10.130 -8.218 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -4.038 -8.585 -11.010 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.150 -9.544 -9.444 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.016 -7.979 -13.188 1.00 0.00 H new ATOM 0 HE2 TYR C 48 0.890 -8.870 -11.594 1.00 0.00 H new ATOM 0 HH TYR C 48 0.547 -8.125 -13.664 1.00 0.00 H new ATOM 2392 N GLN C 49 -3.012 -12.584 -9.752 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.643 -13.601 -10.725 1.00 0.00 C ATOM 2394 C GLN C 49 -3.875 -14.343 -11.239 1.00 0.00 C ATOM 2395 O GLN C 49 -3.824 -14.951 -12.306 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.684 -14.602 -10.080 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.416 -13.908 -9.579 1.00 0.00 C ATOM 2398 CD GLN C 49 0.492 -14.895 -8.854 1.00 0.00 C ATOM 2399 OE1 GLN C 49 0.991 -15.842 -9.455 1.00 0.00 O ATOM 2400 NE2 GLN C 49 0.711 -14.679 -7.561 1.00 0.00 N ATOM 0 H GLN C 49 -2.686 -12.769 -8.803 1.00 0.00 H new ATOM 0 HA GLN C 49 -2.159 -13.107 -11.568 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -2.181 -15.102 -9.249 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.418 -15.373 -10.803 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.118 -13.466 -10.420 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.684 -13.092 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.278 -13.881 -7.097 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.312 -15.312 -7.033 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.979 -14.303 -10.492 1.00 0.00 N ATOM 2410 CA ARG C 50 -6.189 -15.039 -10.834 1.00 0.00 C ATOM 2411 C ARG C 50 -7.068 -14.263 -11.809 1.00 0.00 C ATOM 2412 O ARG C 50 -7.721 -14.873 -12.659 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.938 -15.364 -9.545 1.00 0.00 C ATOM 2414 CG ARG C 50 -8.125 -16.276 -9.851 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.801 -16.661 -8.542 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.971 -17.597 -7.769 1.00 0.00 N ATOM 2417 CZ ARG C 50 -8.025 -17.738 -6.441 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.862 -17.009 -5.707 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.236 -18.619 -5.839 1.00 0.00 N ATOM 0 H ARG C 50 -5.056 -13.758 -9.633 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.916 -15.964 -11.342 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.267 -15.850 -8.837 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.286 -14.445 -9.074 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.833 -15.767 -10.505 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.789 -17.169 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.990 -15.765 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.769 -17.116 -8.750 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.308 -18.179 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.476 -16.330 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.890 -17.130 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.591 -19.186 -6.390 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.274 -18.729 -4.826 1.00 0.00 H new ATOM 2433 N ILE C 51 -7.094 -12.931 -11.704 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.818 -12.105 -12.664 1.00 0.00 C ATOM 2435 C ILE C 51 -7.177 -12.263 -14.046 1.00 0.00 C ATOM 2436 O ILE C 51 -7.791 -11.947 -15.064 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.882 -10.637 -12.206 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.857 -10.436 -11.033 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.401 -9.727 -13.323 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.318 -10.965 -9.712 1.00 0.00 C ATOM 0 H ILE C 51 -6.623 -12.407 -10.966 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.853 -12.442 -12.727 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.862 -10.386 -11.916 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -9.077 -9.374 -10.929 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.798 -10.936 -11.261 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.434 -8.697 -12.967 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.736 -9.792 -14.184 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -9.403 -10.043 -13.614 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -9.052 -10.793 -8.925 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -8.124 -12.034 -9.800 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.392 -10.447 -9.464 1.00 0.00 H new