USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 MET CE :methyl -158:sc= 0 (180deg=-0.463) USER MOD Set 1.2: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.00518 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 15 SER OG : rot 99:sc= 0.965 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 46 MET CE :methyl -167:sc= 0 (180deg=-0.152) USER MOD Single : A 48 HIS : no HE2:sc= -0.227 K(o=-0.23,f=-6.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 45:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.032 12.148 -13.830 1.00 0.00 N ATOM 2 CA GLY A 1 15.888 11.590 -12.496 1.00 0.00 C ATOM 3 C GLY A 1 15.032 12.499 -11.611 1.00 0.00 C ATOM 4 O GLY A 1 15.199 13.717 -11.621 1.00 0.00 O ATOM 0 H1 GLY A 1 17.018 12.046 -14.144 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.405 11.642 -14.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.776 13.156 -13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.431 10.602 -12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.871 11.458 -12.045 1.00 0.00 H new ATOM 8 N SER A 2 14.134 11.870 -10.867 1.00 0.00 N ATOM 9 CA SER A 2 13.251 12.606 -9.978 1.00 0.00 C ATOM 10 C SER A 2 12.907 11.752 -8.757 1.00 0.00 C ATOM 11 O SER A 2 11.842 11.138 -8.703 1.00 0.00 O ATOM 12 CB SER A 2 11.974 13.036 -10.702 1.00 0.00 C ATOM 13 OG SER A 2 12.237 13.983 -11.734 1.00 0.00 O ATOM 0 H SER A 2 13.999 10.859 -10.862 1.00 0.00 H new ATOM 0 HA SER A 2 13.770 13.506 -9.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.488 12.159 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.278 13.468 -9.983 1.00 0.00 H new ATOM 0 HG SER A 2 11.396 14.231 -12.173 1.00 0.00 H new ATOM 19 N SER A 3 13.829 11.739 -7.805 1.00 0.00 N ATOM 20 CA SER A 3 13.636 10.970 -6.587 1.00 0.00 C ATOM 21 C SER A 3 13.506 9.483 -6.923 1.00 0.00 C ATOM 22 O SER A 3 12.599 9.085 -7.653 1.00 0.00 O ATOM 23 CB SER A 3 12.403 11.452 -5.820 1.00 0.00 C ATOM 24 OG SER A 3 12.634 12.696 -5.165 1.00 0.00 O ATOM 0 H SER A 3 14.711 12.249 -7.853 1.00 0.00 H new ATOM 0 HA SER A 3 14.507 11.117 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.565 11.555 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.119 10.701 -5.083 1.00 0.00 H new ATOM 0 HG SER A 3 11.823 12.970 -4.688 1.00 0.00 H new ATOM 30 N GLY A 4 14.424 8.702 -6.373 1.00 0.00 N ATOM 31 CA GLY A 4 14.422 7.268 -6.604 1.00 0.00 C ATOM 32 C GLY A 4 15.387 6.893 -7.731 1.00 0.00 C ATOM 33 O GLY A 4 14.961 6.465 -8.802 1.00 0.00 O ATOM 0 H GLY A 4 15.174 9.035 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.706 6.748 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.415 6.938 -6.858 1.00 0.00 H new ATOM 37 N SER A 5 16.670 7.068 -7.450 1.00 0.00 N ATOM 38 CA SER A 5 17.700 6.754 -8.427 1.00 0.00 C ATOM 39 C SER A 5 19.084 7.028 -7.835 1.00 0.00 C ATOM 40 O SER A 5 19.504 8.180 -7.737 1.00 0.00 O ATOM 41 CB SER A 5 17.503 7.560 -9.713 1.00 0.00 C ATOM 42 OG SER A 5 17.878 6.818 -10.870 1.00 0.00 O ATOM 0 H SER A 5 17.020 7.423 -6.560 1.00 0.00 H new ATOM 0 HA SER A 5 17.623 5.696 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.458 7.859 -9.797 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.093 8.475 -9.662 1.00 0.00 H new ATOM 0 HG SER A 5 17.736 7.366 -11.670 1.00 0.00 H new ATOM 48 N SER A 6 19.754 5.950 -7.455 1.00 0.00 N ATOM 49 CA SER A 6 21.082 6.060 -6.876 1.00 0.00 C ATOM 50 C SER A 6 21.878 4.781 -7.145 1.00 0.00 C ATOM 51 O SER A 6 22.959 4.830 -7.729 1.00 0.00 O ATOM 52 CB SER A 6 21.006 6.331 -5.372 1.00 0.00 C ATOM 53 OG SER A 6 22.238 6.825 -4.855 1.00 0.00 O ATOM 0 H SER A 6 19.402 4.996 -7.537 1.00 0.00 H new ATOM 0 HA SER A 6 21.591 6.902 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.214 7.053 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.737 5.412 -4.851 1.00 0.00 H new ATOM 0 HG SER A 6 22.147 6.987 -3.893 1.00 0.00 H new ATOM 59 N GLY A 7 21.312 3.667 -6.706 1.00 0.00 N ATOM 60 CA GLY A 7 21.955 2.377 -6.892 1.00 0.00 C ATOM 61 C GLY A 7 22.334 1.754 -5.547 1.00 0.00 C ATOM 62 O GLY A 7 23.281 2.197 -4.898 1.00 0.00 O ATOM 0 H GLY A 7 20.415 3.631 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.285 1.707 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.848 2.497 -7.506 1.00 0.00 H new ATOM 66 N ALA A 8 21.575 0.736 -5.168 1.00 0.00 N ATOM 67 CA ALA A 8 21.820 0.048 -3.912 1.00 0.00 C ATOM 68 C ALA A 8 20.891 -1.164 -3.810 1.00 0.00 C ATOM 69 O ALA A 8 19.977 -1.320 -4.619 1.00 0.00 O ATOM 70 CB ALA A 8 21.632 1.025 -2.749 1.00 0.00 C ATOM 0 H ALA A 8 20.791 0.371 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 8 22.846 -0.317 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.816 0.509 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.334 1.853 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 8 20.612 1.410 -2.759 1.00 0.00 H new ATOM 76 N GLU A 9 21.158 -1.991 -2.810 1.00 0.00 N ATOM 77 CA GLU A 9 20.357 -3.184 -2.592 1.00 0.00 C ATOM 78 C GLU A 9 20.358 -3.561 -1.110 1.00 0.00 C ATOM 79 O GLU A 9 21.370 -4.023 -0.583 1.00 0.00 O ATOM 80 CB GLU A 9 20.859 -4.345 -3.453 1.00 0.00 C ATOM 81 CG GLU A 9 20.108 -4.405 -4.785 1.00 0.00 C ATOM 82 CD GLU A 9 21.075 -4.297 -5.965 1.00 0.00 C ATOM 83 OE1 GLU A 9 21.927 -5.204 -6.086 1.00 0.00 O ATOM 84 OE2 GLU A 9 20.940 -3.310 -6.720 1.00 0.00 O ATOM 0 H GLU A 9 21.917 -1.859 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 9 19.331 -2.969 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 9 21.927 -4.230 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.729 -5.284 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.551 -5.340 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.379 -3.596 -4.832 1.00 0.00 H new ATOM 91 N LEU A 10 19.213 -3.349 -0.477 1.00 0.00 N ATOM 92 CA LEU A 10 19.069 -3.661 0.935 1.00 0.00 C ATOM 93 C LEU A 10 18.473 -5.062 1.085 1.00 0.00 C ATOM 94 O LEU A 10 19.131 -5.969 1.593 1.00 0.00 O ATOM 95 CB LEU A 10 18.265 -2.570 1.645 1.00 0.00 C ATOM 96 CG LEU A 10 18.236 -1.203 0.958 1.00 0.00 C ATOM 97 CD1 LEU A 10 17.705 -0.125 1.905 1.00 0.00 C ATOM 98 CD2 LEU A 10 19.612 -0.844 0.394 1.00 0.00 C ATOM 0 H LEU A 10 18.376 -2.965 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 10 20.043 -3.675 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.239 -2.919 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.671 -2.442 2.648 1.00 0.00 H new ATOM 0 HG LEU A 10 17.547 -1.258 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.695 0.837 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.692 -0.381 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.349 -0.062 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.564 0.132 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.340 -0.812 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.913 -1.595 -0.336 1.00 0.00 H new ATOM 110 N THR A 11 17.234 -5.194 0.635 1.00 0.00 N ATOM 111 CA THR A 11 16.542 -6.469 0.713 1.00 0.00 C ATOM 112 C THR A 11 15.613 -6.647 -0.490 1.00 0.00 C ATOM 113 O THR A 11 15.917 -6.181 -1.587 1.00 0.00 O ATOM 114 CB THR A 11 15.814 -6.530 2.057 1.00 0.00 C ATOM 115 OG1 THR A 11 14.836 -5.497 1.970 1.00 0.00 O ATOM 116 CG2 THR A 11 16.704 -6.102 3.226 1.00 0.00 C ATOM 0 H THR A 11 16.692 -4.439 0.215 1.00 0.00 H new ATOM 0 HA THR A 11 17.243 -7.303 0.668 1.00 0.00 H new ATOM 0 HB THR A 11 15.453 -7.544 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.317 -5.468 2.800 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.138 -6.164 4.156 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.570 -6.761 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.038 -5.076 3.072 1.00 0.00 H new ATOM 124 N ALA A 12 14.500 -7.321 -0.243 1.00 0.00 N ATOM 125 CA ALA A 12 13.525 -7.566 -1.292 1.00 0.00 C ATOM 126 C ALA A 12 12.526 -6.408 -1.334 1.00 0.00 C ATOM 127 O ALA A 12 11.993 -6.082 -2.394 1.00 0.00 O ATOM 128 CB ALA A 12 12.844 -8.915 -1.051 1.00 0.00 C ATOM 0 H ALA A 12 14.251 -7.705 0.669 1.00 0.00 H new ATOM 0 HA ALA A 12 14.013 -7.616 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.112 -9.099 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.593 -9.707 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.341 -8.901 -0.084 1.00 0.00 H new ATOM 134 N LEU A 13 12.303 -5.818 -0.169 1.00 0.00 N ATOM 135 CA LEU A 13 11.378 -4.703 -0.060 1.00 0.00 C ATOM 136 C LEU A 13 12.050 -3.434 -0.589 1.00 0.00 C ATOM 137 O LEU A 13 11.606 -2.859 -1.581 1.00 0.00 O ATOM 138 CB LEU A 13 10.862 -4.573 1.375 1.00 0.00 C ATOM 139 CG LEU A 13 9.345 -4.452 1.534 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.749 -3.563 0.441 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.686 -5.832 1.573 1.00 0.00 C ATOM 0 H LEU A 13 12.747 -6.091 0.708 1.00 0.00 H new ATOM 0 HA LEU A 13 10.497 -4.878 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.199 -5.442 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.326 -3.697 1.829 1.00 0.00 H new ATOM 0 HG LEU A 13 9.139 -3.970 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.670 -3.493 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.187 -2.567 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.965 -3.994 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.608 -5.717 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.899 -6.363 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.081 -6.400 2.415 1.00 0.00 H new ATOM 153 N GLU A 14 13.111 -3.035 0.098 1.00 0.00 N ATOM 154 CA GLU A 14 13.849 -1.845 -0.290 1.00 0.00 C ATOM 155 C GLU A 14 14.224 -1.912 -1.772 1.00 0.00 C ATOM 156 O GLU A 14 13.974 -0.971 -2.523 1.00 0.00 O ATOM 157 CB GLU A 14 15.092 -1.662 0.583 1.00 0.00 C ATOM 158 CG GLU A 14 14.707 -1.454 2.049 1.00 0.00 C ATOM 159 CD GLU A 14 13.890 -0.173 2.225 1.00 0.00 C ATOM 160 OE1 GLU A 14 12.653 -0.262 2.068 1.00 0.00 O ATOM 161 OE2 GLU A 14 14.521 0.867 2.514 1.00 0.00 O ATOM 0 H GLU A 14 13.477 -3.515 0.921 1.00 0.00 H new ATOM 0 HA GLU A 14 13.207 -0.977 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.736 -2.537 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.666 -0.806 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.130 -2.309 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.607 -1.402 2.661 1.00 0.00 H new ATOM 168 N SER A 15 14.818 -3.036 -2.148 1.00 0.00 N ATOM 169 CA SER A 15 15.230 -3.238 -3.527 1.00 0.00 C ATOM 170 C SER A 15 14.196 -2.631 -4.477 1.00 0.00 C ATOM 171 O SER A 15 14.547 -1.877 -5.382 1.00 0.00 O ATOM 172 CB SER A 15 15.421 -4.726 -3.831 1.00 0.00 C ATOM 173 OG SER A 15 16.757 -5.154 -3.581 1.00 0.00 O ATOM 0 H SER A 15 15.023 -3.815 -1.522 1.00 0.00 H new ATOM 0 HA SER A 15 16.187 -2.738 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.733 -5.312 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.167 -4.919 -4.873 1.00 0.00 H new ATOM 0 HG SER A 15 16.802 -5.593 -2.706 1.00 0.00 H new ATOM 179 N LEU A 16 12.941 -2.983 -4.238 1.00 0.00 N ATOM 180 CA LEU A 16 11.853 -2.482 -5.061 1.00 0.00 C ATOM 181 C LEU A 16 11.662 -0.988 -4.792 1.00 0.00 C ATOM 182 O LEU A 16 11.662 -0.182 -5.721 1.00 0.00 O ATOM 183 CB LEU A 16 10.588 -3.313 -4.841 1.00 0.00 C ATOM 184 CG LEU A 16 10.687 -4.796 -5.206 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.343 -5.500 -5.010 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.226 -4.975 -6.627 1.00 0.00 C ATOM 0 H LEU A 16 12.653 -3.609 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 16 12.096 -2.588 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.305 -3.236 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.780 -2.869 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 16 11.399 -5.268 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.441 -6.552 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.037 -5.417 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.591 -5.033 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.287 -6.038 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.557 -4.485 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.219 -4.530 -6.698 1.00 0.00 H new ATOM 198 N ILE A 17 11.505 -0.664 -3.517 1.00 0.00 N ATOM 199 CA ILE A 17 11.313 0.719 -3.115 1.00 0.00 C ATOM 200 C ILE A 17 12.369 1.594 -3.793 1.00 0.00 C ATOM 201 O ILE A 17 12.104 2.748 -4.124 1.00 0.00 O ATOM 202 CB ILE A 17 11.304 0.836 -1.589 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.139 0.050 -0.985 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.295 2.302 -1.152 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.243 0.000 0.540 1.00 0.00 C ATOM 0 H ILE A 17 11.507 -1.335 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 17 10.339 1.081 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 17 12.223 0.392 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.195 0.513 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.133 -0.964 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.289 2.357 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.185 2.801 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.405 2.793 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.403 -0.565 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.176 -0.485 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.224 1.014 0.939 1.00 0.00 H new ATOM 217 N GLU A 18 13.544 1.010 -3.979 1.00 0.00 N ATOM 218 CA GLU A 18 14.641 1.722 -4.612 1.00 0.00 C ATOM 219 C GLU A 18 14.287 2.063 -6.061 1.00 0.00 C ATOM 220 O GLU A 18 14.692 3.106 -6.574 1.00 0.00 O ATOM 221 CB GLU A 18 15.936 0.910 -4.541 1.00 0.00 C ATOM 222 CG GLU A 18 17.015 1.666 -3.763 1.00 0.00 C ATOM 223 CD GLU A 18 18.051 2.272 -4.711 1.00 0.00 C ATOM 224 OE1 GLU A 18 18.443 1.555 -5.657 1.00 0.00 O ATOM 225 OE2 GLU A 18 18.429 3.439 -4.469 1.00 0.00 O ATOM 0 H GLU A 18 13.760 0.052 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 18 14.804 2.653 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.742 -0.050 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.292 0.697 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.554 2.456 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.507 0.989 -3.065 1.00 0.00 H new ATOM 232 N MET A 19 13.535 1.165 -6.680 1.00 0.00 N ATOM 233 CA MET A 19 13.122 1.358 -8.060 1.00 0.00 C ATOM 234 C MET A 19 12.183 2.559 -8.188 1.00 0.00 C ATOM 235 O MET A 19 12.051 3.135 -9.267 1.00 0.00 O ATOM 236 CB MET A 19 12.412 0.099 -8.561 1.00 0.00 C ATOM 237 CG MET A 19 13.341 -1.116 -8.501 1.00 0.00 C ATOM 238 SD MET A 19 13.258 -2.025 -10.034 1.00 0.00 S ATOM 239 CE MET A 19 13.343 -3.695 -9.410 1.00 0.00 C ATOM 0 H MET A 19 13.201 0.302 -6.251 1.00 0.00 H new ATOM 0 HA MET A 19 14.010 1.549 -8.662 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.525 -0.087 -7.956 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.073 0.252 -9.586 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.365 -0.792 -8.316 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.056 -1.761 -7.670 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.691 -4.361 -10.199 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.036 -3.735 -8.570 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.354 -4.011 -9.079 1.00 0.00 H new ATOM 249 N GLY A 20 11.556 2.901 -7.073 1.00 0.00 N ATOM 250 CA GLY A 20 10.633 4.023 -7.047 1.00 0.00 C ATOM 251 C GLY A 20 9.204 3.552 -6.772 1.00 0.00 C ATOM 252 O GLY A 20 8.243 4.210 -7.167 1.00 0.00 O ATOM 0 H GLY A 20 11.669 2.421 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.940 4.733 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.669 4.550 -8.001 1.00 0.00 H new ATOM 256 N PHE A 21 9.110 2.416 -6.096 1.00 0.00 N ATOM 257 CA PHE A 21 7.814 1.849 -5.764 1.00 0.00 C ATOM 258 C PHE A 21 7.436 2.158 -4.314 1.00 0.00 C ATOM 259 O PHE A 21 8.309 2.344 -3.467 1.00 0.00 O ATOM 260 CB PHE A 21 7.931 0.333 -5.936 1.00 0.00 C ATOM 261 CG PHE A 21 7.730 -0.147 -7.375 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.536 0.047 -7.996 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.746 -0.768 -8.032 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.349 -0.399 -9.331 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.559 -1.214 -9.368 1.00 0.00 C ATOM 266 CZ PHE A 21 7.365 -1.020 -9.989 1.00 0.00 C ATOM 0 H PHE A 21 9.910 1.873 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 21 7.046 2.273 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.914 0.013 -5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.195 -0.153 -5.295 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.730 0.540 -7.474 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.694 -0.922 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.400 -0.245 -9.824 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.365 -1.707 -9.890 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.223 -1.359 -11.005 1.00 0.00 H new ATOM 276 N PRO A 22 6.100 2.203 -4.065 1.00 0.00 N ATOM 277 CA PRO A 22 5.596 2.486 -2.732 1.00 0.00 C ATOM 278 C PRO A 22 5.760 1.273 -1.815 1.00 0.00 C ATOM 279 O PRO A 22 5.564 0.136 -2.242 1.00 0.00 O ATOM 280 CB PRO A 22 4.143 2.883 -2.937 1.00 0.00 C ATOM 281 CG PRO A 22 3.758 2.363 -4.312 1.00 0.00 C ATOM 282 CD PRO A 22 5.037 1.987 -5.043 1.00 0.00 C ATOM 0 HA PRO A 22 6.147 3.284 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.507 2.451 -2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.022 3.965 -2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.101 1.498 -4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.210 3.124 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.012 0.950 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.183 2.605 -5.929 1.00 0.00 H new ATOM 290 N ARG A 23 6.119 1.555 -0.571 1.00 0.00 N ATOM 291 CA ARG A 23 6.312 0.501 0.410 1.00 0.00 C ATOM 292 C ARG A 23 5.082 -0.407 0.462 1.00 0.00 C ATOM 293 O ARG A 23 5.186 -1.613 0.241 1.00 0.00 O ATOM 294 CB ARG A 23 6.566 1.084 1.802 1.00 0.00 C ATOM 295 CG ARG A 23 7.195 0.040 2.727 1.00 0.00 C ATOM 296 CD ARG A 23 8.168 0.694 3.710 1.00 0.00 C ATOM 297 NE ARG A 23 8.420 -0.214 4.852 1.00 0.00 N ATOM 298 CZ ARG A 23 9.270 0.055 5.852 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.954 1.207 5.858 1.00 0.00 N ATOM 300 NH2 ARG A 23 9.435 -0.827 6.847 1.00 0.00 N ATOM 0 H ARG A 23 6.281 2.499 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 23 7.184 -0.079 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.224 1.949 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.627 1.436 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.412 -0.482 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.720 -0.708 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.106 0.927 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.756 1.637 4.069 1.00 0.00 H new ATOM 0 HE ARG A 23 7.915 -1.100 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.828 1.879 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.601 1.412 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.913 -1.704 6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.082 -0.622 7.608 1.00 0.00 H new ATOM 314 N GLY A 24 3.945 0.206 0.757 1.00 0.00 N ATOM 315 CA GLY A 24 2.696 -0.532 0.840 1.00 0.00 C ATOM 316 C GLY A 24 2.628 -1.619 -0.234 1.00 0.00 C ATOM 317 O GLY A 24 2.389 -2.786 0.072 1.00 0.00 O ATOM 0 H GLY A 24 3.863 1.206 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.602 -0.985 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.856 0.153 0.723 1.00 0.00 H new ATOM 321 N ARG A 25 2.844 -1.197 -1.472 1.00 0.00 N ATOM 322 CA ARG A 25 2.811 -2.120 -2.594 1.00 0.00 C ATOM 323 C ARG A 25 3.902 -3.181 -2.441 1.00 0.00 C ATOM 324 O ARG A 25 3.605 -4.362 -2.271 1.00 0.00 O ATOM 325 CB ARG A 25 3.008 -1.382 -3.920 1.00 0.00 C ATOM 326 CG ARG A 25 1.675 -1.199 -4.649 1.00 0.00 C ATOM 327 CD ARG A 25 1.862 -0.403 -5.942 1.00 0.00 C ATOM 328 NE ARG A 25 0.838 0.661 -6.034 1.00 0.00 N ATOM 329 CZ ARG A 25 0.606 1.388 -7.135 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.325 1.170 -8.245 1.00 0.00 N ATOM 331 NH2 ARG A 25 -0.344 2.333 -7.127 1.00 0.00 N ATOM 0 H ARG A 25 3.042 -0.228 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 25 1.832 -2.600 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.462 -0.408 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.699 -1.940 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.244 -2.174 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.969 -0.683 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.859 0.037 -5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.786 -1.068 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 25 0.273 0.853 -5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.048 0.451 -8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.149 1.723 -9.084 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.891 2.499 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.520 2.886 -7.966 1.00 0.00 H new ATOM 345 N ALA A 26 5.143 -2.721 -2.507 1.00 0.00 N ATOM 346 CA ALA A 26 6.281 -3.616 -2.379 1.00 0.00 C ATOM 347 C ALA A 26 5.988 -4.653 -1.294 1.00 0.00 C ATOM 348 O ALA A 26 6.020 -5.855 -1.554 1.00 0.00 O ATOM 349 CB ALA A 26 7.541 -2.800 -2.081 1.00 0.00 C ATOM 0 H ALA A 26 5.385 -1.740 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 26 6.454 -4.154 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.395 -3.471 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.721 -2.098 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.406 -2.249 -1.150 1.00 0.00 H new ATOM 355 N GLU A 27 5.709 -4.152 -0.100 1.00 0.00 N ATOM 356 CA GLU A 27 5.410 -5.020 1.026 1.00 0.00 C ATOM 357 C GLU A 27 4.281 -5.988 0.665 1.00 0.00 C ATOM 358 O GLU A 27 4.494 -7.197 0.593 1.00 0.00 O ATOM 359 CB GLU A 27 5.055 -4.203 2.270 1.00 0.00 C ATOM 360 CG GLU A 27 6.276 -3.444 2.794 1.00 0.00 C ATOM 361 CD GLU A 27 6.483 -3.703 4.288 1.00 0.00 C ATOM 362 OE1 GLU A 27 6.684 -4.886 4.636 1.00 0.00 O ATOM 363 OE2 GLU A 27 6.435 -2.711 5.047 1.00 0.00 O ATOM 0 H GLU A 27 5.684 -3.155 0.112 1.00 0.00 H new ATOM 0 HA GLU A 27 6.302 -5.602 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.259 -3.498 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.672 -4.865 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.164 -3.751 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.146 -2.376 2.621 1.00 0.00 H new ATOM 370 N LYS A 28 3.104 -5.419 0.448 1.00 0.00 N ATOM 371 CA LYS A 28 1.941 -6.216 0.096 1.00 0.00 C ATOM 372 C LYS A 28 2.340 -7.258 -0.951 1.00 0.00 C ATOM 373 O LYS A 28 2.063 -8.445 -0.788 1.00 0.00 O ATOM 374 CB LYS A 28 0.786 -5.314 -0.342 1.00 0.00 C ATOM 375 CG LYS A 28 -0.397 -6.144 -0.845 1.00 0.00 C ATOM 376 CD LYS A 28 -1.303 -5.311 -1.755 1.00 0.00 C ATOM 377 CE LYS A 28 -2.712 -5.905 -1.816 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.574 -5.301 -0.775 1.00 0.00 N ATOM 0 H LYS A 28 2.931 -4.416 0.509 1.00 0.00 H new ATOM 0 HA LYS A 28 1.576 -6.762 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.469 -4.691 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.124 -4.641 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.030 -7.014 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.971 -6.517 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.352 -4.286 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.878 -5.269 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.144 -5.730 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.664 -6.985 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.527 -5.715 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.168 -5.489 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.634 -4.274 -0.927 1.00 0.00 H new ATOM 392 N ALA A 29 2.984 -6.775 -2.004 1.00 0.00 N ATOM 393 CA ALA A 29 3.424 -7.649 -3.078 1.00 0.00 C ATOM 394 C ALA A 29 4.373 -8.708 -2.512 1.00 0.00 C ATOM 395 O ALA A 29 4.037 -9.891 -2.474 1.00 0.00 O ATOM 396 CB ALA A 29 4.074 -6.814 -4.182 1.00 0.00 C ATOM 0 H ALA A 29 3.211 -5.789 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 29 2.575 -8.170 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.404 -7.470 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.350 -6.098 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.932 -6.278 -3.776 1.00 0.00 H new ATOM 402 N LEU A 30 5.538 -8.244 -2.086 1.00 0.00 N ATOM 403 CA LEU A 30 6.538 -9.136 -1.523 1.00 0.00 C ATOM 404 C LEU A 30 5.848 -10.176 -0.638 1.00 0.00 C ATOM 405 O LEU A 30 6.261 -11.333 -0.597 1.00 0.00 O ATOM 406 CB LEU A 30 7.624 -8.336 -0.800 1.00 0.00 C ATOM 407 CG LEU A 30 8.906 -8.077 -1.593 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.391 -9.353 -2.283 1.00 0.00 C ATOM 409 CD2 LEU A 30 8.716 -6.927 -2.584 1.00 0.00 C ATOM 0 H LEU A 30 5.812 -7.262 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 30 7.051 -9.681 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.203 -7.375 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.888 -8.864 0.116 1.00 0.00 H new ATOM 0 HG LEU A 30 9.684 -7.773 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.304 -9.141 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.593 -10.118 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.623 -9.711 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.643 -6.764 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.918 -7.177 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.452 -6.019 -2.042 1.00 0.00 H new ATOM 421 N ALA A 31 4.807 -9.725 0.047 1.00 0.00 N ATOM 422 CA ALA A 31 4.056 -10.602 0.929 1.00 0.00 C ATOM 423 C ALA A 31 3.273 -11.614 0.089 1.00 0.00 C ATOM 424 O ALA A 31 3.512 -12.817 0.178 1.00 0.00 O ATOM 425 CB ALA A 31 3.146 -9.764 1.829 1.00 0.00 C ATOM 0 H ALA A 31 4.466 -8.764 0.009 1.00 0.00 H new ATOM 0 HA ALA A 31 4.730 -11.162 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.583 -10.422 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.752 -9.082 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.454 -9.190 1.213 1.00 0.00 H new ATOM 431 N LEU A 32 2.354 -11.088 -0.707 1.00 0.00 N ATOM 432 CA LEU A 32 1.535 -11.930 -1.563 1.00 0.00 C ATOM 433 C LEU A 32 2.405 -13.031 -2.172 1.00 0.00 C ATOM 434 O LEU A 32 2.131 -14.216 -1.990 1.00 0.00 O ATOM 435 CB LEU A 32 0.798 -11.083 -2.602 1.00 0.00 C ATOM 436 CG LEU A 32 -0.506 -10.433 -2.135 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.640 -9.014 -2.689 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.711 -11.305 -2.494 1.00 0.00 C ATOM 0 H LEU A 32 2.158 -10.089 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 32 0.758 -12.424 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.471 -10.296 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.579 -11.712 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.478 -10.353 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.575 -8.575 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.196 -8.407 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.637 -9.047 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.625 -10.821 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.754 -11.439 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.613 -12.278 -2.012 1.00 0.00 H new ATOM 450 N THR A 33 3.438 -12.600 -2.882 1.00 0.00 N ATOM 451 CA THR A 33 4.350 -13.534 -3.519 1.00 0.00 C ATOM 452 C THR A 33 4.853 -14.564 -2.505 1.00 0.00 C ATOM 453 O THR A 33 4.807 -15.766 -2.761 1.00 0.00 O ATOM 454 CB THR A 33 5.473 -12.727 -4.172 1.00 0.00 C ATOM 455 OG1 THR A 33 6.135 -12.102 -3.076 1.00 0.00 O ATOM 456 CG2 THR A 33 4.946 -11.557 -5.005 1.00 0.00 C ATOM 0 H THR A 33 3.663 -11.616 -3.030 1.00 0.00 H new ATOM 0 HA THR A 33 3.848 -14.109 -4.297 1.00 0.00 H new ATOM 0 HB THR A 33 6.070 -13.384 -4.805 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.879 -11.559 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.784 -11.018 -5.446 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.301 -11.936 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.377 -10.882 -4.366 1.00 0.00 H new ATOM 464 N GLY A 34 5.321 -14.055 -1.375 1.00 0.00 N ATOM 465 CA GLY A 34 5.831 -14.916 -0.322 1.00 0.00 C ATOM 466 C GLY A 34 7.333 -14.705 -0.121 1.00 0.00 C ATOM 467 O GLY A 34 8.074 -15.661 0.104 1.00 0.00 O ATOM 0 H GLY A 34 5.358 -13.057 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.303 -14.709 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.637 -15.959 -0.574 1.00 0.00 H new ATOM 471 N ASN A 35 7.739 -13.446 -0.209 1.00 0.00 N ATOM 472 CA ASN A 35 9.139 -13.097 -0.040 1.00 0.00 C ATOM 473 C ASN A 35 10.006 -14.108 -0.793 1.00 0.00 C ATOM 474 O ASN A 35 10.947 -14.666 -0.229 1.00 0.00 O ATOM 475 CB ASN A 35 9.542 -13.135 1.435 1.00 0.00 C ATOM 476 CG ASN A 35 8.666 -12.196 2.267 1.00 0.00 C ATOM 477 OD1 ASN A 35 8.871 -10.995 2.316 1.00 0.00 O ATOM 478 ND2 ASN A 35 7.680 -12.809 2.916 1.00 0.00 N ATOM 0 H ASN A 35 7.122 -12.655 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 35 9.284 -12.089 -0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.452 -14.153 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.588 -12.848 1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.040 -12.269 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.564 -13.819 2.831 1.00 0.00 H new ATOM 485 N GLN A 36 9.660 -14.313 -2.055 1.00 0.00 N ATOM 486 CA GLN A 36 10.395 -15.247 -2.891 1.00 0.00 C ATOM 487 C GLN A 36 11.579 -14.544 -3.558 1.00 0.00 C ATOM 488 O GLN A 36 12.669 -15.106 -3.647 1.00 0.00 O ATOM 489 CB GLN A 36 9.478 -15.887 -3.935 1.00 0.00 C ATOM 490 CG GLN A 36 8.884 -17.197 -3.414 1.00 0.00 C ATOM 491 CD GLN A 36 9.636 -18.404 -3.978 1.00 0.00 C ATOM 492 OE1 GLN A 36 9.110 -19.191 -4.748 1.00 0.00 O ATOM 493 NE2 GLN A 36 10.893 -18.505 -3.555 1.00 0.00 N ATOM 0 H GLN A 36 8.880 -13.848 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 36 10.782 -16.045 -2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.675 -15.196 -4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.039 -16.077 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.929 -17.213 -2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.831 -17.258 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.271 -17.811 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.479 -19.276 -3.876 1.00 0.00 H new ATOM 502 N GLY A 37 11.323 -13.324 -4.010 1.00 0.00 N ATOM 503 CA GLY A 37 12.354 -12.538 -4.666 1.00 0.00 C ATOM 504 C GLY A 37 11.768 -11.262 -5.273 1.00 0.00 C ATOM 505 O GLY A 37 10.579 -10.986 -5.118 1.00 0.00 O ATOM 0 H GLY A 37 10.417 -12.862 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.131 -12.279 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.827 -13.132 -5.447 1.00 0.00 H new ATOM 509 N ILE A 38 12.629 -10.518 -5.952 1.00 0.00 N ATOM 510 CA ILE A 38 12.211 -9.278 -6.583 1.00 0.00 C ATOM 511 C ILE A 38 11.359 -9.598 -7.813 1.00 0.00 C ATOM 512 O ILE A 38 10.195 -9.207 -7.885 1.00 0.00 O ATOM 513 CB ILE A 38 13.424 -8.396 -6.887 1.00 0.00 C ATOM 514 CG1 ILE A 38 14.066 -7.883 -5.597 1.00 0.00 C ATOM 515 CG2 ILE A 38 13.048 -7.255 -7.835 1.00 0.00 C ATOM 516 CD1 ILE A 38 13.089 -7.010 -4.808 1.00 0.00 C ATOM 0 H ILE A 38 13.614 -10.750 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 38 11.586 -8.697 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 38 14.171 -9.005 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 38 14.382 -8.727 -4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.961 -7.309 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.928 -6.643 -8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.673 -7.668 -8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.275 -6.639 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.571 -6.658 -3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.794 -6.154 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.206 -7.594 -4.550 1.00 0.00 H new ATOM 528 N GLU A 39 11.972 -10.306 -8.750 1.00 0.00 N ATOM 529 CA GLU A 39 11.285 -10.684 -9.973 1.00 0.00 C ATOM 530 C GLU A 39 9.895 -11.237 -9.651 1.00 0.00 C ATOM 531 O GLU A 39 8.906 -10.832 -10.260 1.00 0.00 O ATOM 532 CB GLU A 39 12.106 -11.696 -10.773 1.00 0.00 C ATOM 533 CG GLU A 39 12.395 -11.176 -12.183 1.00 0.00 C ATOM 534 CD GLU A 39 11.241 -11.497 -13.134 1.00 0.00 C ATOM 535 OE1 GLU A 39 11.054 -12.701 -13.413 1.00 0.00 O ATOM 536 OE2 GLU A 39 10.572 -10.532 -13.560 1.00 0.00 O ATOM 0 H GLU A 39 12.938 -10.628 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 39 11.167 -9.794 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.044 -11.898 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.566 -12.641 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.555 -10.098 -12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.315 -11.624 -12.558 1.00 0.00 H new ATOM 543 N ALA A 40 9.864 -12.153 -8.695 1.00 0.00 N ATOM 544 CA ALA A 40 8.612 -12.766 -8.285 1.00 0.00 C ATOM 545 C ALA A 40 7.631 -11.673 -7.854 1.00 0.00 C ATOM 546 O ALA A 40 6.456 -11.712 -8.214 1.00 0.00 O ATOM 547 CB ALA A 40 8.879 -13.781 -7.172 1.00 0.00 C ATOM 0 H ALA A 40 10.686 -12.486 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 40 8.160 -13.306 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.939 -14.240 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.557 -14.552 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.331 -13.275 -6.319 1.00 0.00 H new ATOM 553 N ALA A 41 8.152 -10.724 -7.090 1.00 0.00 N ATOM 554 CA ALA A 41 7.337 -9.622 -6.606 1.00 0.00 C ATOM 555 C ALA A 41 6.941 -8.730 -7.784 1.00 0.00 C ATOM 556 O ALA A 41 5.756 -8.551 -8.062 1.00 0.00 O ATOM 557 CB ALA A 41 8.104 -8.856 -5.526 1.00 0.00 C ATOM 0 H ALA A 41 9.128 -10.695 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 41 6.419 -9.994 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.493 -8.030 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.335 -9.527 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.031 -8.465 -5.946 1.00 0.00 H new ATOM 563 N MET A 42 7.956 -8.194 -8.446 1.00 0.00 N ATOM 564 CA MET A 42 7.729 -7.325 -9.588 1.00 0.00 C ATOM 565 C MET A 42 6.620 -7.877 -10.485 1.00 0.00 C ATOM 566 O MET A 42 5.751 -7.131 -10.934 1.00 0.00 O ATOM 567 CB MET A 42 9.022 -7.195 -10.396 1.00 0.00 C ATOM 568 CG MET A 42 9.481 -5.737 -10.465 1.00 0.00 C ATOM 569 SD MET A 42 9.155 -5.071 -12.089 1.00 0.00 S ATOM 570 CE MET A 42 10.809 -4.602 -12.570 1.00 0.00 C ATOM 0 H MET A 42 8.938 -8.345 -8.213 1.00 0.00 H new ATOM 0 HA MET A 42 7.420 -6.347 -9.220 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.802 -7.805 -9.941 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.865 -7.579 -11.404 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.961 -5.147 -9.710 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.546 -5.671 -10.243 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.787 -4.165 -13.568 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.200 -3.871 -11.862 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.451 -5.483 -12.574 1.00 0.00 H new ATOM 580 N ASP A 43 6.686 -9.179 -10.721 1.00 0.00 N ATOM 581 CA ASP A 43 5.698 -9.839 -11.556 1.00 0.00 C ATOM 582 C ASP A 43 4.296 -9.494 -11.051 1.00 0.00 C ATOM 583 O ASP A 43 3.392 -9.234 -11.844 1.00 0.00 O ATOM 584 CB ASP A 43 5.859 -11.360 -11.502 1.00 0.00 C ATOM 585 CG ASP A 43 6.109 -12.032 -12.854 1.00 0.00 C ATOM 586 OD1 ASP A 43 6.924 -11.477 -13.622 1.00 0.00 O ATOM 587 OD2 ASP A 43 5.478 -13.086 -13.089 1.00 0.00 O ATOM 0 H ASP A 43 7.409 -9.794 -10.348 1.00 0.00 H new ATOM 0 HA ASP A 43 5.841 -9.497 -12.581 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.688 -11.599 -10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.960 -11.790 -11.060 1.00 0.00 H new ATOM 592 N TRP A 44 4.158 -9.502 -9.733 1.00 0.00 N ATOM 593 CA TRP A 44 2.881 -9.193 -9.112 1.00 0.00 C ATOM 594 C TRP A 44 2.502 -7.762 -9.498 1.00 0.00 C ATOM 595 O TRP A 44 1.511 -7.545 -10.195 1.00 0.00 O ATOM 596 CB TRP A 44 2.941 -9.408 -7.598 1.00 0.00 C ATOM 597 CG TRP A 44 1.595 -9.236 -6.891 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.698 -10.182 -6.584 1.00 0.00 C ATOM 599 CD2 TRP A 44 1.028 -7.998 -6.413 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.402 -9.647 -5.945 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.195 -8.277 -5.838 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.531 -6.686 -6.465 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.017 -7.295 -5.271 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.697 -5.717 -5.894 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.536 -5.981 -5.311 1.00 0.00 C ATOM 0 H TRP A 44 4.910 -9.718 -9.078 1.00 0.00 H new ATOM 0 HA TRP A 44 2.104 -9.868 -9.471 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.319 -10.411 -7.398 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.657 -8.706 -7.170 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.820 -11.231 -6.808 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.217 -10.162 -5.612 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.485 -6.445 -6.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.971 -7.538 -4.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.036 -4.692 -5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.121 -5.176 -4.891 1.00 0.00 H new ATOM 616 N LEU A 45 3.310 -6.823 -9.029 1.00 0.00 N ATOM 617 CA LEU A 45 3.071 -5.419 -9.317 1.00 0.00 C ATOM 618 C LEU A 45 2.708 -5.260 -10.794 1.00 0.00 C ATOM 619 O LEU A 45 1.636 -4.753 -11.123 1.00 0.00 O ATOM 620 CB LEU A 45 4.270 -4.572 -8.884 1.00 0.00 C ATOM 621 CG LEU A 45 4.524 -4.490 -7.377 1.00 0.00 C ATOM 622 CD1 LEU A 45 5.999 -4.212 -7.084 1.00 0.00 C ATOM 623 CD2 LEU A 45 3.605 -3.458 -6.721 1.00 0.00 C ATOM 0 H LEU A 45 4.131 -7.007 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 45 2.224 -5.051 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.164 -4.973 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.131 -3.560 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 45 4.285 -5.459 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.152 -4.159 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.610 -5.014 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.288 -3.265 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.806 -3.420 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.788 -2.477 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.565 -3.741 -6.885 1.00 0.00 H new ATOM 635 N MET A 46 3.621 -5.702 -11.646 1.00 0.00 N ATOM 636 CA MET A 46 3.410 -5.615 -13.081 1.00 0.00 C ATOM 637 C MET A 46 1.980 -6.013 -13.450 1.00 0.00 C ATOM 638 O MET A 46 1.350 -5.373 -14.291 1.00 0.00 O ATOM 639 CB MET A 46 4.398 -6.536 -13.799 1.00 0.00 C ATOM 640 CG MET A 46 5.791 -5.906 -13.858 1.00 0.00 C ATOM 641 SD MET A 46 5.801 -4.554 -15.023 1.00 0.00 S ATOM 642 CE MET A 46 6.331 -3.227 -13.954 1.00 0.00 C ATOM 0 H MET A 46 4.509 -6.122 -11.370 1.00 0.00 H new ATOM 0 HA MET A 46 3.571 -4.583 -13.391 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.450 -7.494 -13.281 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.043 -6.739 -14.810 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.079 -5.547 -12.870 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.526 -6.655 -14.152 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.172 -2.271 -14.454 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.755 -3.253 -13.029 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.390 -3.345 -13.726 1.00 0.00 H new ATOM 652 N GLU A 47 1.508 -7.069 -12.803 1.00 0.00 N ATOM 653 CA GLU A 47 0.164 -7.561 -13.053 1.00 0.00 C ATOM 654 C GLU A 47 -0.871 -6.586 -12.488 1.00 0.00 C ATOM 655 O GLU A 47 -1.916 -6.362 -13.097 1.00 0.00 O ATOM 656 CB GLU A 47 -0.025 -8.962 -12.468 1.00 0.00 C ATOM 657 CG GLU A 47 -0.957 -9.801 -13.344 1.00 0.00 C ATOM 658 CD GLU A 47 -2.175 -10.278 -12.550 1.00 0.00 C ATOM 659 OE1 GLU A 47 -3.080 -9.442 -12.343 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.172 -11.469 -12.168 1.00 0.00 O ATOM 0 H GLU A 47 2.033 -7.597 -12.106 1.00 0.00 H new ATOM 0 HA GLU A 47 0.018 -7.631 -14.131 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.942 -9.457 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.436 -8.887 -11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.285 -9.212 -14.200 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.415 -10.661 -13.737 1.00 0.00 H new ATOM 667 N HIS A 48 -0.545 -6.032 -11.329 1.00 0.00 N ATOM 668 CA HIS A 48 -1.433 -5.087 -10.675 1.00 0.00 C ATOM 669 C HIS A 48 -1.067 -3.662 -11.095 1.00 0.00 C ATOM 670 O HIS A 48 -1.468 -2.697 -10.447 1.00 0.00 O ATOM 671 CB HIS A 48 -1.411 -5.281 -9.157 1.00 0.00 C ATOM 672 CG HIS A 48 -1.931 -6.624 -8.703 1.00 0.00 C ATOM 673 ND1 HIS A 48 -3.134 -6.775 -8.034 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.400 -7.874 -8.828 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.308 -8.063 -7.773 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.233 -8.742 -8.265 1.00 0.00 N ATOM 0 H HIS A 48 0.322 -6.220 -10.826 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.460 -5.270 -10.992 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.388 -5.159 -8.800 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.007 -4.496 -8.692 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -3.777 -6.023 -7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.461 -8.117 -9.304 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.153 -8.498 -7.260 1.00 0.00 H new ATOM 684 N GLU A 49 -0.308 -3.576 -12.178 1.00 0.00 N ATOM 685 CA GLU A 49 0.118 -2.286 -12.693 1.00 0.00 C ATOM 686 C GLU A 49 -1.094 -1.381 -12.924 1.00 0.00 C ATOM 687 O GLU A 49 -0.975 -0.157 -12.888 1.00 0.00 O ATOM 688 CB GLU A 49 0.932 -2.450 -13.978 1.00 0.00 C ATOM 689 CG GLU A 49 0.039 -2.883 -15.142 1.00 0.00 C ATOM 690 CD GLU A 49 0.854 -3.045 -16.427 1.00 0.00 C ATOM 691 OE1 GLU A 49 1.804 -2.251 -16.600 1.00 0.00 O ATOM 692 OE2 GLU A 49 0.508 -3.958 -17.207 1.00 0.00 O ATOM 0 H GLU A 49 0.023 -4.379 -12.713 1.00 0.00 H new ATOM 0 HA GLU A 49 0.763 -1.815 -11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.424 -1.509 -14.223 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.717 -3.190 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.452 -3.825 -14.897 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.747 -2.144 -15.296 1.00 0.00 H new ATOM 699 N ASP A 50 -2.233 -2.017 -13.156 1.00 0.00 N ATOM 700 CA ASP A 50 -3.465 -1.285 -13.393 1.00 0.00 C ATOM 701 C ASP A 50 -4.491 -1.662 -12.322 1.00 0.00 C ATOM 702 O ASP A 50 -5.696 -1.571 -12.552 1.00 0.00 O ATOM 703 CB ASP A 50 -4.058 -1.633 -14.759 1.00 0.00 C ATOM 704 CG ASP A 50 -3.637 -0.707 -15.902 1.00 0.00 C ATOM 705 OD1 ASP A 50 -4.094 0.457 -15.888 1.00 0.00 O ATOM 706 OD2 ASP A 50 -2.867 -1.183 -16.764 1.00 0.00 O ATOM 0 H ASP A 50 -2.328 -3.032 -13.185 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.236 -0.220 -13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.771 -2.653 -15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.145 -1.618 -14.681 1.00 0.00 H new ATOM 711 N ASP A 51 -3.976 -2.077 -11.174 1.00 0.00 N ATOM 712 CA ASP A 51 -4.832 -2.468 -10.067 1.00 0.00 C ATOM 713 C ASP A 51 -6.011 -1.498 -9.973 1.00 0.00 C ATOM 714 O ASP A 51 -5.871 -0.313 -10.273 1.00 0.00 O ATOM 715 CB ASP A 51 -4.073 -2.419 -8.740 1.00 0.00 C ATOM 716 CG ASP A 51 -4.207 -3.672 -7.872 1.00 0.00 C ATOM 717 OD1 ASP A 51 -4.588 -4.718 -8.440 1.00 0.00 O ATOM 718 OD2 ASP A 51 -3.926 -3.555 -6.659 1.00 0.00 O ATOM 0 H ASP A 51 -2.976 -2.151 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.175 -3.487 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.016 -2.251 -8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.425 -1.560 -8.169 1.00 0.00 H new ATOM 723 N PRO A 52 -7.178 -2.051 -9.546 1.00 0.00 N ATOM 724 CA PRO A 52 -8.381 -1.249 -9.409 1.00 0.00 C ATOM 725 C PRO A 52 -8.308 -0.358 -8.167 1.00 0.00 C ATOM 726 O PRO A 52 -8.871 0.735 -8.148 1.00 0.00 O ATOM 727 CB PRO A 52 -9.520 -2.253 -9.353 1.00 0.00 C ATOM 728 CG PRO A 52 -8.884 -3.586 -8.994 1.00 0.00 C ATOM 729 CD PRO A 52 -7.381 -3.451 -9.183 1.00 0.00 C ATOM 0 HA PRO A 52 -8.520 -0.555 -10.238 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.261 -1.961 -8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.036 -2.312 -10.311 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.117 -3.855 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.279 -4.380 -9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.843 -3.706 -8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.018 -4.119 -9.964 1.00 0.00 H new ATOM 737 N ASP A 53 -7.609 -0.860 -7.159 1.00 0.00 N ATOM 738 CA ASP A 53 -7.454 -0.124 -5.916 1.00 0.00 C ATOM 739 C ASP A 53 -6.402 -0.815 -5.046 1.00 0.00 C ATOM 740 O ASP A 53 -6.736 -1.440 -4.040 1.00 0.00 O ATOM 741 CB ASP A 53 -8.767 -0.087 -5.131 1.00 0.00 C ATOM 742 CG ASP A 53 -9.794 0.928 -5.636 1.00 0.00 C ATOM 743 OD1 ASP A 53 -9.474 2.136 -5.579 1.00 0.00 O ATOM 744 OD2 ASP A 53 -10.876 0.475 -6.067 1.00 0.00 O ATOM 0 H ASP A 53 -7.144 -1.768 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.152 0.894 -6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.216 -1.080 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.543 0.134 -4.087 1.00 0.00 H new ATOM 749 N VAL A 54 -5.153 -0.680 -5.465 1.00 0.00 N ATOM 750 CA VAL A 54 -4.050 -1.284 -4.737 1.00 0.00 C ATOM 751 C VAL A 54 -3.996 -0.699 -3.324 1.00 0.00 C ATOM 752 O VAL A 54 -3.754 -1.421 -2.358 1.00 0.00 O ATOM 753 CB VAL A 54 -2.745 -1.095 -5.512 1.00 0.00 C ATOM 754 CG1 VAL A 54 -2.316 0.374 -5.514 1.00 0.00 C ATOM 755 CG2 VAL A 54 -1.638 -1.989 -4.949 1.00 0.00 C ATOM 0 H VAL A 54 -4.880 -0.161 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.201 -2.359 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.923 -1.393 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.386 0.481 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.092 0.979 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.165 0.710 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.721 -1.835 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.463 -1.736 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.940 -3.034 -5.024 1.00 0.00 H new ATOM 765 N ASP A 55 -4.225 0.604 -3.249 1.00 0.00 N ATOM 766 CA ASP A 55 -4.205 1.295 -1.971 1.00 0.00 C ATOM 767 C ASP A 55 -5.310 2.353 -1.951 1.00 0.00 C ATOM 768 O ASP A 55 -5.028 3.550 -1.978 1.00 0.00 O ATOM 769 CB ASP A 55 -2.868 2.003 -1.748 1.00 0.00 C ATOM 770 CG ASP A 55 -2.425 2.923 -2.887 1.00 0.00 C ATOM 771 OD1 ASP A 55 -3.318 3.350 -3.651 1.00 0.00 O ATOM 772 OD2 ASP A 55 -1.204 3.178 -2.969 1.00 0.00 O ATOM 0 H ASP A 55 -4.425 1.199 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.356 0.555 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.933 2.590 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.097 1.249 -1.589 1.00 0.00 H new ATOM 777 N GLU A 56 -6.544 1.874 -1.903 1.00 0.00 N ATOM 778 CA GLU A 56 -7.692 2.764 -1.879 1.00 0.00 C ATOM 779 C GLU A 56 -7.510 3.837 -0.804 1.00 0.00 C ATOM 780 O GLU A 56 -6.829 3.611 0.195 1.00 0.00 O ATOM 781 CB GLU A 56 -8.988 1.981 -1.658 1.00 0.00 C ATOM 782 CG GLU A 56 -8.861 1.037 -0.461 1.00 0.00 C ATOM 783 CD GLU A 56 -10.235 0.542 -0.005 1.00 0.00 C ATOM 784 OE1 GLU A 56 -11.037 0.192 -0.897 1.00 0.00 O ATOM 785 OE2 GLU A 56 -10.451 0.524 1.226 1.00 0.00 O ATOM 0 H GLU A 56 -6.774 0.881 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.765 3.257 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.812 2.675 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.228 1.408 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.235 0.186 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.365 1.552 0.362 1.00 0.00 H new ATOM 792 N PRO A 57 -8.147 5.013 -1.052 1.00 0.00 N ATOM 793 CA PRO A 57 -8.061 6.122 -0.117 1.00 0.00 C ATOM 794 C PRO A 57 -8.933 5.869 1.115 1.00 0.00 C ATOM 795 O PRO A 57 -10.083 5.450 0.990 1.00 0.00 O ATOM 796 CB PRO A 57 -8.496 7.341 -0.912 1.00 0.00 C ATOM 797 CG PRO A 57 -9.250 6.805 -2.119 1.00 0.00 C ATOM 798 CD PRO A 57 -8.962 5.317 -2.224 1.00 0.00 C ATOM 0 HA PRO A 57 -7.056 6.260 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.132 7.992 -0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.635 7.933 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.320 6.980 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.934 7.320 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.883 4.735 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.432 5.080 -3.147 1.00 0.00 H new ATOM 806 N LEU A 58 -8.353 6.134 2.276 1.00 0.00 N ATOM 807 CA LEU A 58 -9.062 5.941 3.529 1.00 0.00 C ATOM 808 C LEU A 58 -9.323 7.301 4.178 1.00 0.00 C ATOM 809 O LEU A 58 -8.731 7.627 5.205 1.00 0.00 O ATOM 810 CB LEU A 58 -8.302 4.965 4.430 1.00 0.00 C ATOM 811 CG LEU A 58 -8.068 3.566 3.857 1.00 0.00 C ATOM 812 CD1 LEU A 58 -6.812 3.534 2.984 1.00 0.00 C ATOM 813 CD2 LEU A 58 -8.019 2.519 4.972 1.00 0.00 C ATOM 0 H LEU A 58 -7.399 6.481 2.375 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.034 5.482 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.334 5.404 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.850 4.865 5.367 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.912 3.314 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.669 2.528 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.925 4.235 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.946 3.816 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.852 1.533 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.206 2.756 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.964 2.521 5.515 1.00 0.00 H new ATOM 825 N SER A 59 -10.211 8.059 3.551 1.00 0.00 N ATOM 826 CA SER A 59 -10.558 9.378 4.054 1.00 0.00 C ATOM 827 C SER A 59 -11.836 9.877 3.377 1.00 0.00 C ATOM 828 O SER A 59 -12.192 9.412 2.295 1.00 0.00 O ATOM 829 CB SER A 59 -9.416 10.371 3.831 1.00 0.00 C ATOM 830 OG SER A 59 -8.908 10.886 5.059 1.00 0.00 O ATOM 0 H SER A 59 -10.701 7.785 2.699 1.00 0.00 H new ATOM 0 HA SER A 59 -10.730 9.300 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.611 9.881 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.768 11.195 3.210 1.00 0.00 H new ATOM 0 HG SER A 59 -8.179 11.515 4.874 1.00 0.00 H new ATOM 836 N GLY A 60 -12.491 10.818 4.041 1.00 0.00 N ATOM 837 CA GLY A 60 -13.721 11.385 3.516 1.00 0.00 C ATOM 838 C GLY A 60 -13.508 11.953 2.112 1.00 0.00 C ATOM 839 O GLY A 60 -12.383 12.278 1.734 1.00 0.00 O ATOM 0 H GLY A 60 -12.193 11.202 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.496 10.619 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.075 12.173 4.181 1.00 0.00 H new ATOM 843 N PRO A 61 -14.634 12.058 1.357 1.00 0.00 N ATOM 844 CA PRO A 61 -14.582 12.581 0.002 1.00 0.00 C ATOM 845 C PRO A 61 -14.402 14.100 0.008 1.00 0.00 C ATOM 846 O PRO A 61 -14.900 14.784 0.900 1.00 0.00 O ATOM 847 CB PRO A 61 -15.886 12.139 -0.641 1.00 0.00 C ATOM 848 CG PRO A 61 -16.819 11.789 0.507 1.00 0.00 C ATOM 849 CD PRO A 61 -15.983 11.683 1.772 1.00 0.00 C ATOM 0 HA PRO A 61 -13.729 12.205 -0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.306 12.933 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.729 11.279 -1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.588 12.553 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -17.332 10.848 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -16.357 12.348 2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.006 10.672 2.178 1.00 0.00 H new ATOM 857 N SER A 62 -13.690 14.583 -0.999 1.00 0.00 N ATOM 858 CA SER A 62 -13.439 16.009 -1.122 1.00 0.00 C ATOM 859 C SER A 62 -13.649 16.455 -2.571 1.00 0.00 C ATOM 860 O SER A 62 -14.372 17.415 -2.829 1.00 0.00 O ATOM 861 CB SER A 62 -12.024 16.361 -0.659 1.00 0.00 C ATOM 862 OG SER A 62 -11.100 15.307 -0.916 1.00 0.00 O ATOM 0 H SER A 62 -13.279 14.012 -1.738 1.00 0.00 H new ATOM 0 HA SER A 62 -14.145 16.537 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.691 17.266 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.036 16.580 0.409 1.00 0.00 H new ATOM 0 HG SER A 62 -10.208 15.571 -0.608 1.00 0.00 H new ATOM 868 N SER A 63 -13.003 15.736 -3.477 1.00 0.00 N ATOM 869 CA SER A 63 -13.110 16.045 -4.893 1.00 0.00 C ATOM 870 C SER A 63 -12.598 14.869 -5.726 1.00 0.00 C ATOM 871 O SER A 63 -11.430 14.495 -5.627 1.00 0.00 O ATOM 872 CB SER A 63 -12.335 17.318 -5.239 1.00 0.00 C ATOM 873 OG SER A 63 -13.186 18.458 -5.312 1.00 0.00 O ATOM 0 H SER A 63 -12.404 14.940 -3.258 1.00 0.00 H new ATOM 0 HA SER A 63 -14.161 16.217 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.564 17.489 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.826 17.184 -6.193 1.00 0.00 H new ATOM 0 HG SER A 63 -13.804 18.454 -4.551 1.00 0.00 H new ATOM 879 N GLY A 64 -13.497 14.317 -6.527 1.00 0.00 N ATOM 880 CA GLY A 64 -13.151 13.190 -7.377 1.00 0.00 C ATOM 881 C GLY A 64 -14.402 12.575 -8.008 1.00 0.00 C ATOM 882 O GLY A 64 -15.225 11.982 -7.312 1.00 0.00 O ATOM 0 H GLY A 64 -14.465 14.629 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.467 13.517 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.626 12.435 -6.791 1.00 0.00 H new TER 886 GLY A 64