USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 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 Single : A 1 GLY N :NH3+ -154:sc=0.000549 (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= -0.11 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -126:sc= -2.14 (180deg=-5.37!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.281 USER MOD Single : A 35 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -176:sc= 0 (180deg=-0.0171) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.092) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.728 -3.893 10.068 1.00 0.00 N ATOM 2 CA GLY A 1 22.729 -2.934 9.632 1.00 0.00 C ATOM 3 C GLY A 1 22.535 -2.570 8.159 1.00 0.00 C ATOM 4 O GLY A 1 21.412 -2.332 7.717 1.00 0.00 O ATOM 0 H1 GLY A 1 21.582 -3.800 11.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.832 -3.709 9.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.052 -4.857 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.666 -2.034 10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.725 -3.351 9.779 1.00 0.00 H new ATOM 8 N SER A 2 23.647 -2.538 7.439 1.00 0.00 N ATOM 9 CA SER A 2 23.614 -2.207 6.025 1.00 0.00 C ATOM 10 C SER A 2 23.166 -0.756 5.837 1.00 0.00 C ATOM 11 O SER A 2 21.998 -0.432 6.046 1.00 0.00 O ATOM 12 CB SER A 2 22.685 -3.152 5.260 1.00 0.00 C ATOM 13 OG SER A 2 23.062 -4.517 5.421 1.00 0.00 O ATOM 0 H SER A 2 24.577 -2.736 7.809 1.00 0.00 H new ATOM 0 HA SER A 2 24.620 -2.325 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.661 -3.015 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.698 -2.895 4.201 1.00 0.00 H new ATOM 0 HG SER A 2 22.444 -5.088 4.919 1.00 0.00 H new ATOM 19 N SER A 3 24.118 0.078 5.446 1.00 0.00 N ATOM 20 CA SER A 3 23.836 1.486 5.228 1.00 0.00 C ATOM 21 C SER A 3 23.235 1.691 3.835 1.00 0.00 C ATOM 22 O SER A 3 23.689 1.086 2.865 1.00 0.00 O ATOM 23 CB SER A 3 25.100 2.333 5.390 1.00 0.00 C ATOM 24 OG SER A 3 25.730 2.115 6.649 1.00 0.00 O ATOM 0 H SER A 3 25.086 -0.195 5.275 1.00 0.00 H new ATOM 0 HA SER A 3 23.115 1.810 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.800 2.097 4.589 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.845 3.388 5.290 1.00 0.00 H new ATOM 0 HG SER A 3 26.534 2.672 6.713 1.00 0.00 H new ATOM 30 N GLY A 4 22.224 2.545 3.781 1.00 0.00 N ATOM 31 CA GLY A 4 21.556 2.836 2.524 1.00 0.00 C ATOM 32 C GLY A 4 22.079 4.139 1.915 1.00 0.00 C ATOM 33 O GLY A 4 23.286 4.372 1.880 1.00 0.00 O ATOM 0 H GLY A 4 21.851 3.045 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.714 2.014 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.481 2.913 2.688 1.00 0.00 H new ATOM 37 N SER A 5 21.144 4.954 1.450 1.00 0.00 N ATOM 38 CA SER A 5 21.495 6.227 0.844 1.00 0.00 C ATOM 39 C SER A 5 22.107 5.997 -0.539 1.00 0.00 C ATOM 40 O SER A 5 21.585 6.484 -1.541 1.00 0.00 O ATOM 41 CB SER A 5 22.465 7.010 1.730 1.00 0.00 C ATOM 42 OG SER A 5 22.062 7.006 3.097 1.00 0.00 O ATOM 0 H SER A 5 20.144 4.758 1.481 1.00 0.00 H new ATOM 0 HA SER A 5 20.585 6.818 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.462 6.579 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.531 8.038 1.375 1.00 0.00 H new ATOM 0 HG SER A 5 22.708 7.515 3.630 1.00 0.00 H new ATOM 48 N SER A 6 23.205 5.256 -0.550 1.00 0.00 N ATOM 49 CA SER A 6 23.893 4.956 -1.793 1.00 0.00 C ATOM 50 C SER A 6 23.259 3.734 -2.461 1.00 0.00 C ATOM 51 O SER A 6 22.653 2.900 -1.790 1.00 0.00 O ATOM 52 CB SER A 6 25.385 4.714 -1.553 1.00 0.00 C ATOM 53 OG SER A 6 25.616 3.565 -0.744 1.00 0.00 O ATOM 0 H SER A 6 23.635 4.854 0.283 1.00 0.00 H new ATOM 0 HA SER A 6 23.793 5.817 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.891 4.591 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.822 5.589 -1.072 1.00 0.00 H new ATOM 0 HG SER A 6 26.580 3.444 -0.616 1.00 0.00 H new ATOM 59 N GLY A 7 23.420 3.667 -3.775 1.00 0.00 N ATOM 60 CA GLY A 7 22.870 2.562 -4.541 1.00 0.00 C ATOM 61 C GLY A 7 23.473 1.230 -4.090 1.00 0.00 C ATOM 62 O GLY A 7 24.683 1.028 -4.182 1.00 0.00 O ATOM 0 H GLY A 7 23.924 4.360 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.787 2.535 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.069 2.715 -5.602 1.00 0.00 H new ATOM 66 N ALA A 8 22.601 0.354 -3.612 1.00 0.00 N ATOM 67 CA ALA A 8 23.031 -0.953 -3.146 1.00 0.00 C ATOM 68 C ALA A 8 21.810 -1.861 -2.988 1.00 0.00 C ATOM 69 O ALA A 8 20.685 -1.448 -3.264 1.00 0.00 O ATOM 70 CB ALA A 8 23.816 -0.798 -1.842 1.00 0.00 C ATOM 0 H ALA A 8 21.598 0.524 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 8 23.696 -1.419 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 8 24.138 -1.779 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.689 -0.169 -2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.180 -0.335 -1.087 1.00 0.00 H new ATOM 76 N GLU A 9 22.074 -3.081 -2.543 1.00 0.00 N ATOM 77 CA GLU A 9 21.010 -4.051 -2.344 1.00 0.00 C ATOM 78 C GLU A 9 20.750 -4.255 -0.850 1.00 0.00 C ATOM 79 O GLU A 9 21.272 -5.193 -0.248 1.00 0.00 O ATOM 80 CB GLU A 9 21.343 -5.378 -3.029 1.00 0.00 C ATOM 81 CG GLU A 9 21.050 -5.310 -4.529 1.00 0.00 C ATOM 82 CD GLU A 9 22.128 -6.039 -5.332 1.00 0.00 C ATOM 83 OE1 GLU A 9 22.060 -7.287 -5.372 1.00 0.00 O ATOM 84 OE2 GLU A 9 22.997 -5.333 -5.888 1.00 0.00 O ATOM 0 H GLU A 9 23.009 -3.420 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 9 20.100 -3.662 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 9 22.394 -5.619 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.760 -6.181 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.076 -5.755 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.997 -4.268 -4.846 1.00 0.00 H new ATOM 91 N LEU A 10 19.944 -3.362 -0.295 1.00 0.00 N ATOM 92 CA LEU A 10 19.609 -3.432 1.117 1.00 0.00 C ATOM 93 C LEU A 10 18.824 -4.718 1.387 1.00 0.00 C ATOM 94 O LEU A 10 19.297 -5.599 2.104 1.00 0.00 O ATOM 95 CB LEU A 10 18.880 -2.162 1.559 1.00 0.00 C ATOM 96 CG LEU A 10 19.760 -0.938 1.816 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.992 -0.148 0.527 1.00 0.00 C ATOM 98 CD2 LEU A 10 19.173 -0.063 2.926 1.00 0.00 C ATOM 0 H LEU A 10 19.513 -2.586 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 10 20.515 -3.478 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.147 -1.903 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.326 -2.384 2.471 1.00 0.00 H new ATOM 0 HG LEU A 10 20.734 -1.285 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.621 0.717 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.486 -0.785 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.035 0.188 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.818 0.800 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.179 0.277 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.103 -0.642 3.847 1.00 0.00 H new ATOM 110 N THR A 11 17.639 -4.784 0.799 1.00 0.00 N ATOM 111 CA THR A 11 16.784 -5.947 0.968 1.00 0.00 C ATOM 112 C THR A 11 15.799 -6.057 -0.198 1.00 0.00 C ATOM 113 O THR A 11 15.663 -5.127 -0.991 1.00 0.00 O ATOM 114 CB THR A 11 16.101 -5.838 2.332 1.00 0.00 C ATOM 115 OG1 THR A 11 15.516 -4.538 2.325 1.00 0.00 O ATOM 116 CG2 THR A 11 17.104 -5.789 3.487 1.00 0.00 C ATOM 0 H THR A 11 17.250 -4.051 0.205 1.00 0.00 H new ATOM 0 HA THR A 11 17.363 -6.870 0.952 1.00 0.00 H new ATOM 0 HB THR A 11 15.429 -6.685 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.050 -4.384 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.567 -5.712 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.706 -6.698 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.755 -4.923 3.367 1.00 0.00 H new ATOM 124 N ALA A 12 15.137 -7.203 -0.265 1.00 0.00 N ATOM 125 CA ALA A 12 14.169 -7.448 -1.320 1.00 0.00 C ATOM 126 C ALA A 12 13.171 -6.289 -1.370 1.00 0.00 C ATOM 127 O ALA A 12 12.847 -5.789 -2.446 1.00 0.00 O ATOM 128 CB ALA A 12 13.485 -8.796 -1.083 1.00 0.00 C ATOM 0 H ALA A 12 15.252 -7.972 0.395 1.00 0.00 H new ATOM 0 HA ALA A 12 14.664 -7.499 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.759 -8.980 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.233 -9.589 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.975 -8.781 -0.120 1.00 0.00 H new ATOM 134 N LEU A 13 12.712 -5.894 -0.191 1.00 0.00 N ATOM 135 CA LEU A 13 11.759 -4.803 -0.086 1.00 0.00 C ATOM 136 C LEU A 13 12.424 -3.504 -0.543 1.00 0.00 C ATOM 137 O LEU A 13 12.052 -2.940 -1.571 1.00 0.00 O ATOM 138 CB LEU A 13 11.178 -4.732 1.328 1.00 0.00 C ATOM 139 CG LEU A 13 9.656 -4.848 1.435 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.964 -3.872 0.481 1.00 0.00 C ATOM 141 CD2 LEU A 13 9.199 -6.290 1.210 1.00 0.00 C ATOM 0 H LEU A 13 12.983 -6.311 0.700 1.00 0.00 H new ATOM 0 HA LEU A 13 10.909 -4.976 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.626 -5.527 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.483 -3.787 1.778 1.00 0.00 H new ATOM 0 HG LEU A 13 9.362 -4.572 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.883 -3.975 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.255 -2.852 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.260 -4.094 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.113 -6.345 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.505 -6.618 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.652 -6.937 1.961 1.00 0.00 H new ATOM 153 N GLU A 14 13.397 -3.066 0.242 1.00 0.00 N ATOM 154 CA GLU A 14 14.119 -1.844 -0.069 1.00 0.00 C ATOM 155 C GLU A 14 14.412 -1.768 -1.569 1.00 0.00 C ATOM 156 O GLU A 14 14.081 -0.778 -2.220 1.00 0.00 O ATOM 157 CB GLU A 14 15.408 -1.745 0.748 1.00 0.00 C ATOM 158 CG GLU A 14 15.113 -1.337 2.192 1.00 0.00 C ATOM 159 CD GLU A 14 14.835 0.164 2.292 1.00 0.00 C ATOM 160 OE1 GLU A 14 13.760 0.576 1.805 1.00 0.00 O ATOM 161 OE2 GLU A 14 15.704 0.866 2.853 1.00 0.00 O ATOM 0 H GLU A 14 13.703 -3.536 1.094 1.00 0.00 H new ATOM 0 HA GLU A 14 13.491 -0.995 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.925 -2.705 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.078 -1.017 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.253 -1.895 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.960 -1.597 2.827 1.00 0.00 H new ATOM 168 N SER A 15 15.030 -2.826 -2.073 1.00 0.00 N ATOM 169 CA SER A 15 15.372 -2.892 -3.483 1.00 0.00 C ATOM 170 C SER A 15 14.244 -2.289 -4.323 1.00 0.00 C ATOM 171 O SER A 15 14.431 -1.260 -4.972 1.00 0.00 O ATOM 172 CB SER A 15 15.644 -4.333 -3.918 1.00 0.00 C ATOM 173 OG SER A 15 16.420 -4.394 -5.111 1.00 0.00 O ATOM 0 H SER A 15 15.303 -3.645 -1.529 1.00 0.00 H new ATOM 0 HA SER A 15 16.284 -2.316 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.166 -4.860 -3.119 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.697 -4.849 -4.075 1.00 0.00 H new ATOM 0 HG SER A 15 16.573 -5.331 -5.354 1.00 0.00 H new ATOM 179 N LEU A 16 13.099 -2.954 -4.284 1.00 0.00 N ATOM 180 CA LEU A 16 11.942 -2.496 -5.034 1.00 0.00 C ATOM 181 C LEU A 16 11.679 -1.024 -4.710 1.00 0.00 C ATOM 182 O LEU A 16 11.514 -0.206 -5.614 1.00 0.00 O ATOM 183 CB LEU A 16 10.740 -3.407 -4.773 1.00 0.00 C ATOM 184 CG LEU A 16 10.962 -4.900 -5.026 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.633 -5.658 -5.034 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.758 -5.125 -6.313 1.00 0.00 C ATOM 0 H LEU A 16 12.948 -3.806 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 16 12.134 -2.558 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.429 -3.277 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.913 -3.072 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 16 11.557 -5.301 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.819 -6.717 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.139 -5.537 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.993 -5.262 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.902 -6.194 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.211 -4.705 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.729 -4.636 -6.230 1.00 0.00 H new ATOM 198 N ILE A 17 11.649 -0.732 -3.419 1.00 0.00 N ATOM 199 CA ILE A 17 11.409 0.628 -2.965 1.00 0.00 C ATOM 200 C ILE A 17 12.344 1.582 -3.710 1.00 0.00 C ATOM 201 O ILE A 17 11.997 2.738 -3.947 1.00 0.00 O ATOM 202 CB ILE A 17 11.530 0.713 -1.442 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.476 -0.160 -0.758 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.466 2.166 -0.967 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.768 -0.303 0.737 1.00 0.00 C ATOM 0 H ILE A 17 11.787 -1.413 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 17 10.389 0.933 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 17 12.507 0.323 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.488 0.279 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.457 -1.145 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.554 2.198 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.283 2.731 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.514 2.605 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.004 -0.928 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.746 -0.764 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.763 0.682 1.205 1.00 0.00 H new ATOM 217 N GLU A 18 13.512 1.063 -4.059 1.00 0.00 N ATOM 218 CA GLU A 18 14.500 1.854 -4.773 1.00 0.00 C ATOM 219 C GLU A 18 14.088 2.022 -6.237 1.00 0.00 C ATOM 220 O GLU A 18 14.382 3.044 -6.855 1.00 0.00 O ATOM 221 CB GLU A 18 15.890 1.226 -4.662 1.00 0.00 C ATOM 222 CG GLU A 18 16.856 2.157 -3.927 1.00 0.00 C ATOM 223 CD GLU A 18 17.888 2.748 -4.889 1.00 0.00 C ATOM 224 OE1 GLU A 18 18.868 2.030 -5.183 1.00 0.00 O ATOM 225 OE2 GLU A 18 17.673 3.906 -5.310 1.00 0.00 O ATOM 0 H GLU A 18 13.797 0.104 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 18 14.547 2.842 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.822 0.276 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.276 1.009 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.298 2.961 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.365 1.607 -3.135 1.00 0.00 H new ATOM 232 N MET A 19 13.415 1.002 -6.749 1.00 0.00 N ATOM 233 CA MET A 19 12.960 1.024 -8.129 1.00 0.00 C ATOM 234 C MET A 19 11.918 2.123 -8.346 1.00 0.00 C ATOM 235 O MET A 19 11.689 2.552 -9.476 1.00 0.00 O ATOM 236 CB MET A 19 12.352 -0.334 -8.488 1.00 0.00 C ATOM 237 CG MET A 19 13.421 -1.429 -8.494 1.00 0.00 C ATOM 238 SD MET A 19 13.131 -2.557 -9.846 1.00 0.00 S ATOM 239 CE MET A 19 13.239 -4.114 -8.979 1.00 0.00 C ATOM 0 H MET A 19 13.174 0.156 -6.233 1.00 0.00 H new ATOM 0 HA MET A 19 13.817 1.230 -8.771 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.571 -0.587 -7.772 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.879 -0.277 -9.468 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.411 -0.982 -8.588 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.404 -1.970 -7.548 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.972 -4.754 -9.470 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.546 -3.936 -7.948 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.265 -4.604 -8.988 1.00 0.00 H new ATOM 249 N GLY A 20 11.315 2.548 -7.245 1.00 0.00 N ATOM 250 CA GLY A 20 10.303 3.589 -7.301 1.00 0.00 C ATOM 251 C GLY A 20 8.934 3.045 -6.887 1.00 0.00 C ATOM 252 O GLY A 20 7.902 3.576 -7.295 1.00 0.00 O ATOM 0 H GLY A 20 11.508 2.190 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.585 4.412 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.247 3.993 -8.312 1.00 0.00 H new ATOM 256 N PHE A 21 8.969 1.994 -6.081 1.00 0.00 N ATOM 257 CA PHE A 21 7.744 1.373 -5.608 1.00 0.00 C ATOM 258 C PHE A 21 7.478 1.732 -4.144 1.00 0.00 C ATOM 259 O PHE A 21 8.408 1.826 -3.345 1.00 0.00 O ATOM 260 CB PHE A 21 7.937 -0.141 -5.722 1.00 0.00 C ATOM 261 CG PHE A 21 7.895 -0.666 -7.159 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.771 -0.510 -7.908 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.983 -1.289 -7.687 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.732 -0.997 -9.241 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.944 -1.777 -9.020 1.00 0.00 C ATOM 266 CZ PHE A 21 7.820 -1.621 -9.769 1.00 0.00 C ATOM 0 H PHE A 21 9.827 1.557 -5.744 1.00 0.00 H new ATOM 0 HA PHE A 21 6.897 1.721 -6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.894 -0.410 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.162 -0.641 -5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.907 -0.015 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.876 -1.412 -7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.839 -0.872 -9.836 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.807 -2.272 -9.439 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.791 -1.992 -10.783 1.00 0.00 H new ATOM 276 N PRO A 22 6.169 1.926 -3.829 1.00 0.00 N ATOM 277 CA PRO A 22 5.769 2.273 -2.476 1.00 0.00 C ATOM 278 C PRO A 22 5.846 1.055 -1.553 1.00 0.00 C ATOM 279 O PRO A 22 5.535 -0.062 -1.965 1.00 0.00 O ATOM 280 CB PRO A 22 4.360 2.827 -2.612 1.00 0.00 C ATOM 281 CG PRO A 22 3.850 2.342 -3.960 1.00 0.00 C ATOM 282 CD PRO A 22 5.041 1.822 -4.749 1.00 0.00 C ATOM 0 HA PRO A 22 6.429 3.009 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.721 2.473 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.362 3.916 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.107 1.555 -3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.361 3.154 -4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.885 0.792 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.208 2.413 -5.649 1.00 0.00 H new ATOM 290 N ARG A 23 6.261 1.311 -0.321 1.00 0.00 N ATOM 291 CA ARG A 23 6.383 0.250 0.664 1.00 0.00 C ATOM 292 C ARG A 23 5.141 -0.644 0.637 1.00 0.00 C ATOM 293 O ARG A 23 5.252 -1.863 0.522 1.00 0.00 O ATOM 294 CB ARG A 23 6.560 0.823 2.071 1.00 0.00 C ATOM 295 CG ARG A 23 7.103 -0.239 3.031 1.00 0.00 C ATOM 296 CD ARG A 23 7.869 0.408 4.187 1.00 0.00 C ATOM 297 NE ARG A 23 8.317 -0.631 5.141 1.00 0.00 N ATOM 298 CZ ARG A 23 8.734 -0.376 6.389 1.00 0.00 C ATOM 299 NH1 ARG A 23 8.763 0.885 6.840 1.00 0.00 N ATOM 300 NH2 ARG A 23 9.122 -1.382 7.184 1.00 0.00 N ATOM 0 H ARG A 23 6.517 2.238 0.018 1.00 0.00 H new ATOM 0 HA ARG A 23 7.265 -0.339 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.243 1.672 2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.604 1.196 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.279 -0.835 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.760 -0.921 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.729 0.956 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.232 1.131 4.697 1.00 0.00 H new ATOM 0 HE ARG A 23 8.308 -1.602 4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.468 1.650 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.080 1.080 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.100 -2.342 6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.439 -1.188 8.134 1.00 0.00 H new ATOM 314 N GLY A 24 3.987 -0.002 0.745 1.00 0.00 N ATOM 315 CA GLY A 24 2.726 -0.724 0.734 1.00 0.00 C ATOM 316 C GLY A 24 2.703 -1.772 -0.380 1.00 0.00 C ATOM 317 O GLY A 24 2.703 -2.972 -0.109 1.00 0.00 O ATOM 0 H GLY A 24 3.899 1.010 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.573 -1.209 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.903 -0.023 0.596 1.00 0.00 H new ATOM 321 N ARG A 25 2.685 -1.281 -1.610 1.00 0.00 N ATOM 322 CA ARG A 25 2.662 -2.160 -2.767 1.00 0.00 C ATOM 323 C ARG A 25 3.775 -3.204 -2.662 1.00 0.00 C ATOM 324 O ARG A 25 3.501 -4.396 -2.524 1.00 0.00 O ATOM 325 CB ARG A 25 2.837 -1.367 -4.064 1.00 0.00 C ATOM 326 CG ARG A 25 1.485 -1.098 -4.728 1.00 0.00 C ATOM 327 CD ARG A 25 1.429 0.319 -5.304 1.00 0.00 C ATOM 328 NE ARG A 25 0.738 1.223 -4.358 1.00 0.00 N ATOM 329 CZ ARG A 25 -0.528 1.058 -3.951 1.00 0.00 C ATOM 330 NH1 ARG A 25 -1.249 0.024 -4.405 1.00 0.00 N ATOM 331 NH2 ARG A 25 -1.074 1.929 -3.091 1.00 0.00 N ATOM 0 H ARG A 25 2.686 -0.285 -1.831 1.00 0.00 H new ATOM 0 HA ARG A 25 1.693 -2.658 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.337 -0.422 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.479 -1.920 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.315 -1.824 -5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.685 -1.230 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.439 0.683 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.906 0.311 -6.260 1.00 0.00 H new ATOM 0 HE ARG A 25 1.258 2.021 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.834 -0.638 -5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.213 -0.101 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.526 2.717 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.038 1.804 -2.781 1.00 0.00 H new ATOM 345 N ALA A 26 5.006 -2.720 -2.731 1.00 0.00 N ATOM 346 CA ALA A 26 6.161 -3.597 -2.645 1.00 0.00 C ATOM 347 C ALA A 26 5.900 -4.676 -1.592 1.00 0.00 C ATOM 348 O ALA A 26 5.868 -5.864 -1.910 1.00 0.00 O ATOM 349 CB ALA A 26 7.409 -2.769 -2.334 1.00 0.00 C ATOM 0 H ALA A 26 5.229 -1.731 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 26 6.332 -4.100 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.276 -3.427 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.567 -2.037 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.275 -2.252 -1.384 1.00 0.00 H new ATOM 355 N GLU A 27 5.720 -4.224 -0.360 1.00 0.00 N ATOM 356 CA GLU A 27 5.462 -5.136 0.742 1.00 0.00 C ATOM 357 C GLU A 27 4.265 -6.032 0.420 1.00 0.00 C ATOM 358 O GLU A 27 4.411 -7.246 0.287 1.00 0.00 O ATOM 359 CB GLU A 27 5.239 -4.369 2.047 1.00 0.00 C ATOM 360 CG GLU A 27 6.552 -3.781 2.568 1.00 0.00 C ATOM 361 CD GLU A 27 6.567 -3.744 4.098 1.00 0.00 C ATOM 362 OE1 GLU A 27 6.892 -4.798 4.687 1.00 0.00 O ATOM 363 OE2 GLU A 27 6.253 -2.664 4.643 1.00 0.00 O ATOM 0 H GLU A 27 5.748 -3.238 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 27 6.338 -5.770 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.517 -3.569 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.812 -5.035 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.390 -4.377 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.685 -2.773 2.175 1.00 0.00 H new ATOM 370 N LYS A 28 3.106 -5.398 0.305 1.00 0.00 N ATOM 371 CA LYS A 28 1.884 -6.123 0.002 1.00 0.00 C ATOM 372 C LYS A 28 2.181 -7.201 -1.042 1.00 0.00 C ATOM 373 O LYS A 28 1.807 -8.360 -0.867 1.00 0.00 O ATOM 374 CB LYS A 28 0.776 -5.154 -0.414 1.00 0.00 C ATOM 375 CG LYS A 28 -0.409 -5.905 -1.024 1.00 0.00 C ATOM 376 CD LYS A 28 -1.575 -4.954 -1.306 1.00 0.00 C ATOM 377 CE LYS A 28 -2.884 -5.727 -1.476 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.793 -5.464 -0.338 1.00 0.00 N ATOM 0 H LYS A 28 2.988 -4.391 0.416 1.00 0.00 H new ATOM 0 HA LYS A 28 1.513 -6.633 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.442 -4.584 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.167 -4.437 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.099 -6.390 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.734 -6.693 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.673 -4.241 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.369 -4.378 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.366 -5.436 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.676 -6.795 -1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.677 -5.996 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.337 -5.764 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.005 -4.447 -0.291 1.00 0.00 H new ATOM 392 N ALA A 29 2.851 -6.782 -2.106 1.00 0.00 N ATOM 393 CA ALA A 29 3.203 -7.697 -3.178 1.00 0.00 C ATOM 394 C ALA A 29 4.180 -8.748 -2.646 1.00 0.00 C ATOM 395 O ALA A 29 3.834 -9.923 -2.538 1.00 0.00 O ATOM 396 CB ALA A 29 3.780 -6.908 -4.355 1.00 0.00 C ATOM 0 H ALA A 29 3.159 -5.820 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 29 2.319 -8.222 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.044 -7.595 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.037 -6.196 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.671 -6.370 -4.031 1.00 0.00 H new ATOM 402 N LEU A 30 5.380 -8.286 -2.327 1.00 0.00 N ATOM 403 CA LEU A 30 6.409 -9.171 -1.809 1.00 0.00 C ATOM 404 C LEU A 30 5.782 -10.146 -0.811 1.00 0.00 C ATOM 405 O LEU A 30 6.257 -11.270 -0.653 1.00 0.00 O ATOM 406 CB LEU A 30 7.571 -8.361 -1.230 1.00 0.00 C ATOM 407 CG LEU A 30 8.706 -8.028 -2.200 1.00 0.00 C ATOM 408 CD1 LEU A 30 8.998 -6.526 -2.207 1.00 0.00 C ATOM 409 CD2 LEU A 30 9.955 -8.853 -1.887 1.00 0.00 C ATOM 0 H LEU A 30 5.663 -7.310 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 30 6.837 -9.769 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.174 -7.427 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.989 -8.914 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 30 8.386 -8.299 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.809 -6.316 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.104 -5.983 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.289 -6.207 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.746 -8.597 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.289 -8.637 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.721 -9.914 -1.974 1.00 0.00 H new ATOM 421 N ALA A 31 4.724 -9.681 -0.163 1.00 0.00 N ATOM 422 CA ALA A 31 4.027 -10.498 0.816 1.00 0.00 C ATOM 423 C ALA A 31 3.193 -11.556 0.089 1.00 0.00 C ATOM 424 O ALA A 31 3.400 -12.753 0.280 1.00 0.00 O ATOM 425 CB ALA A 31 3.175 -9.601 1.716 1.00 0.00 C ATOM 0 H ALA A 31 4.332 -8.749 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 31 4.738 -11.021 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.652 -10.214 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.818 -8.887 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.447 -9.062 1.109 1.00 0.00 H new ATOM 431 N LEU A 32 2.268 -11.075 -0.729 1.00 0.00 N ATOM 432 CA LEU A 32 1.402 -11.964 -1.485 1.00 0.00 C ATOM 433 C LEU A 32 2.243 -13.082 -2.105 1.00 0.00 C ATOM 434 O LEU A 32 1.998 -14.260 -1.853 1.00 0.00 O ATOM 435 CB LEU A 32 0.582 -11.173 -2.506 1.00 0.00 C ATOM 436 CG LEU A 32 -0.680 -10.494 -1.971 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.867 -9.111 -2.597 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.908 -11.385 -2.171 1.00 0.00 C ATOM 0 H LEU A 32 2.099 -10.081 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 32 0.675 -12.439 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.224 -10.409 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.294 -11.848 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.560 -10.347 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.771 -8.651 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.007 -8.485 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.956 -9.210 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.792 -10.879 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.043 -11.586 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.765 -12.326 -1.640 1.00 0.00 H new ATOM 450 N THR A 33 3.217 -12.672 -2.904 1.00 0.00 N ATOM 451 CA THR A 33 4.096 -13.625 -3.562 1.00 0.00 C ATOM 452 C THR A 33 4.635 -14.639 -2.551 1.00 0.00 C ATOM 453 O THR A 33 4.610 -15.843 -2.801 1.00 0.00 O ATOM 454 CB THR A 33 5.194 -12.837 -4.279 1.00 0.00 C ATOM 455 OG1 THR A 33 5.921 -12.215 -3.223 1.00 0.00 O ATOM 456 CG2 THR A 33 4.640 -11.666 -5.091 1.00 0.00 C ATOM 0 H THR A 33 3.417 -11.693 -3.111 1.00 0.00 H new ATOM 0 HA THR A 33 3.558 -14.212 -4.307 1.00 0.00 H new ATOM 0 HB THR A 33 5.748 -13.505 -4.939 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.742 -11.818 -3.581 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.461 -11.141 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.949 -12.041 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.114 -10.980 -4.427 1.00 0.00 H new ATOM 464 N GLY A 34 5.112 -14.114 -1.432 1.00 0.00 N ATOM 465 CA GLY A 34 5.657 -14.959 -0.382 1.00 0.00 C ATOM 466 C GLY A 34 7.148 -14.687 -0.179 1.00 0.00 C ATOM 467 O GLY A 34 7.924 -15.610 0.061 1.00 0.00 O ATOM 0 H GLY A 34 5.133 -13.115 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.121 -14.779 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.507 -16.008 -0.639 1.00 0.00 H new ATOM 471 N ASN A 35 7.505 -13.415 -0.282 1.00 0.00 N ATOM 472 CA ASN A 35 8.890 -13.009 -0.112 1.00 0.00 C ATOM 473 C ASN A 35 9.798 -13.984 -0.866 1.00 0.00 C ATOM 474 O ASN A 35 10.662 -14.622 -0.267 1.00 0.00 O ATOM 475 CB ASN A 35 9.293 -13.032 1.363 1.00 0.00 C ATOM 476 CG ASN A 35 8.959 -11.703 2.043 1.00 0.00 C ATOM 477 OD1 ASN A 35 9.567 -10.676 1.790 1.00 0.00 O ATOM 478 ND2 ASN A 35 7.961 -11.779 2.919 1.00 0.00 N ATOM 0 H ASN A 35 6.859 -12.652 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 35 8.995 -11.995 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.776 -13.845 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.361 -13.230 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.663 -10.946 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.494 -12.671 3.084 1.00 0.00 H new ATOM 485 N GLN A 36 9.570 -14.068 -2.168 1.00 0.00 N ATOM 486 CA GLN A 36 10.357 -14.954 -3.009 1.00 0.00 C ATOM 487 C GLN A 36 11.616 -14.238 -3.502 1.00 0.00 C ATOM 488 O GLN A 36 12.719 -14.775 -3.402 1.00 0.00 O ATOM 489 CB GLN A 36 9.527 -15.474 -4.185 1.00 0.00 C ATOM 490 CG GLN A 36 8.608 -16.615 -3.745 1.00 0.00 C ATOM 491 CD GLN A 36 8.947 -17.909 -4.487 1.00 0.00 C ATOM 492 OE1 GLN A 36 8.217 -18.371 -5.349 1.00 0.00 O ATOM 493 NE2 GLN A 36 10.093 -18.467 -4.107 1.00 0.00 N ATOM 0 H GLN A 36 8.852 -13.537 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 36 10.661 -15.814 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.931 -14.662 -4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.190 -15.821 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.705 -16.771 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.569 -16.344 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.657 -18.028 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.408 -19.333 -4.544 1.00 0.00 H new ATOM 502 N GLY A 37 11.411 -13.037 -4.023 1.00 0.00 N ATOM 503 CA GLY A 37 12.516 -12.243 -4.531 1.00 0.00 C ATOM 504 C GLY A 37 12.009 -10.971 -5.213 1.00 0.00 C ATOM 505 O GLY A 37 10.858 -10.579 -5.026 1.00 0.00 O ATOM 0 H GLY A 37 10.495 -12.595 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.185 -11.979 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.097 -12.833 -5.240 1.00 0.00 H new ATOM 509 N ILE A 38 12.893 -10.361 -5.990 1.00 0.00 N ATOM 510 CA ILE A 38 12.549 -9.142 -6.701 1.00 0.00 C ATOM 511 C ILE A 38 11.538 -9.467 -7.802 1.00 0.00 C ATOM 512 O ILE A 38 10.416 -8.964 -7.787 1.00 0.00 O ATOM 513 CB ILE A 38 13.812 -8.445 -7.211 1.00 0.00 C ATOM 514 CG1 ILE A 38 14.726 -8.047 -6.050 1.00 0.00 C ATOM 515 CG2 ILE A 38 13.458 -7.250 -8.098 1.00 0.00 C ATOM 516 CD1 ILE A 38 14.155 -6.848 -5.290 1.00 0.00 C ATOM 0 H ILE A 38 13.847 -10.689 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 38 12.070 -8.431 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 38 14.366 -9.151 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 38 14.844 -8.891 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.718 -7.802 -6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.373 -6.772 -8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.878 -7.592 -8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.870 -6.533 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.823 -6.585 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.061 -5.999 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.174 -7.104 -4.890 1.00 0.00 H new ATOM 528 N GLU A 39 11.972 -10.305 -8.731 1.00 0.00 N ATOM 529 CA GLU A 39 11.119 -10.703 -9.838 1.00 0.00 C ATOM 530 C GLU A 39 9.729 -11.086 -9.326 1.00 0.00 C ATOM 531 O GLU A 39 8.730 -10.493 -9.731 1.00 0.00 O ATOM 532 CB GLU A 39 11.748 -11.852 -10.630 1.00 0.00 C ATOM 533 CG GLU A 39 12.659 -11.320 -11.737 1.00 0.00 C ATOM 534 CD GLU A 39 11.842 -10.854 -12.944 1.00 0.00 C ATOM 535 OE1 GLU A 39 11.042 -9.912 -12.757 1.00 0.00 O ATOM 536 OE2 GLU A 39 12.035 -11.451 -14.025 1.00 0.00 O ATOM 0 H GLU A 39 12.904 -10.720 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 39 11.015 -9.854 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.321 -12.491 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.963 -12.471 -11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.255 -10.491 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.356 -12.099 -12.045 1.00 0.00 H new ATOM 543 N ALA A 40 9.710 -12.074 -8.444 1.00 0.00 N ATOM 544 CA ALA A 40 8.459 -12.543 -7.872 1.00 0.00 C ATOM 545 C ALA A 40 7.558 -11.343 -7.576 1.00 0.00 C ATOM 546 O ALA A 40 6.389 -11.330 -7.959 1.00 0.00 O ATOM 547 CB ALA A 40 8.749 -13.377 -6.623 1.00 0.00 C ATOM 0 H ALA A 40 10.541 -12.563 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 40 7.932 -13.186 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.811 -13.729 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.368 -14.233 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.276 -12.765 -5.891 1.00 0.00 H new ATOM 553 N ALA A 41 8.135 -10.363 -6.895 1.00 0.00 N ATOM 554 CA ALA A 41 7.399 -9.161 -6.543 1.00 0.00 C ATOM 555 C ALA A 41 6.991 -8.425 -7.820 1.00 0.00 C ATOM 556 O ALA A 41 5.807 -8.344 -8.143 1.00 0.00 O ATOM 557 CB ALA A 41 8.252 -8.293 -5.616 1.00 0.00 C ATOM 0 H ALA A 41 9.104 -10.377 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 41 6.486 -9.414 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.700 -7.391 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.489 -8.852 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.176 -8.017 -6.124 1.00 0.00 H new ATOM 563 N MET A 42 7.995 -7.906 -8.512 1.00 0.00 N ATOM 564 CA MET A 42 7.755 -7.179 -9.747 1.00 0.00 C ATOM 565 C MET A 42 6.641 -7.837 -10.564 1.00 0.00 C ATOM 566 O MET A 42 5.929 -7.163 -11.306 1.00 0.00 O ATOM 567 CB MET A 42 9.041 -7.142 -10.575 1.00 0.00 C ATOM 568 CG MET A 42 9.963 -6.014 -10.107 1.00 0.00 C ATOM 569 SD MET A 42 10.507 -5.049 -11.506 1.00 0.00 S ATOM 570 CE MET A 42 11.621 -6.214 -12.272 1.00 0.00 C ATOM 0 H MET A 42 8.976 -7.975 -8.241 1.00 0.00 H new ATOM 0 HA MET A 42 7.444 -6.165 -9.495 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.559 -8.098 -10.492 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.796 -7.003 -11.628 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.438 -5.375 -9.397 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.825 -6.430 -9.585 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.107 -5.744 -13.127 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.377 -6.523 -11.550 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.061 -7.087 -12.607 1.00 0.00 H new ATOM 580 N ASP A 43 6.524 -9.147 -10.399 1.00 0.00 N ATOM 581 CA ASP A 43 5.509 -9.903 -11.111 1.00 0.00 C ATOM 582 C ASP A 43 4.123 -9.394 -10.708 1.00 0.00 C ATOM 583 O ASP A 43 3.328 -9.005 -11.563 1.00 0.00 O ATOM 584 CB ASP A 43 5.585 -11.391 -10.763 1.00 0.00 C ATOM 585 CG ASP A 43 5.620 -12.336 -11.966 1.00 0.00 C ATOM 586 OD1 ASP A 43 6.707 -12.439 -12.575 1.00 0.00 O ATOM 587 OD2 ASP A 43 4.560 -12.933 -12.250 1.00 0.00 O ATOM 0 H ASP A 43 7.116 -9.703 -9.782 1.00 0.00 H new ATOM 0 HA ASP A 43 5.680 -9.773 -12.180 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.476 -11.562 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.726 -11.648 -10.143 1.00 0.00 H new ATOM 592 N TRP A 44 3.876 -9.413 -9.407 1.00 0.00 N ATOM 593 CA TRP A 44 2.601 -8.958 -8.880 1.00 0.00 C ATOM 594 C TRP A 44 2.391 -7.512 -9.334 1.00 0.00 C ATOM 595 O TRP A 44 1.373 -7.191 -9.945 1.00 0.00 O ATOM 596 CB TRP A 44 2.545 -9.121 -7.360 1.00 0.00 C ATOM 597 CG TRP A 44 1.208 -8.713 -6.739 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.179 -9.503 -6.403 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.795 -7.375 -6.391 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.863 -8.775 -5.866 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.477 -7.440 -5.858 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.473 -6.150 -6.521 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.180 -6.313 -5.414 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.757 -5.034 -6.073 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.524 -5.082 -5.534 1.00 0.00 C ATOM 0 H TRP A 44 4.538 -9.737 -8.702 1.00 0.00 H new ATOM 0 HA TRP A 44 1.785 -9.567 -9.268 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.748 -10.162 -7.109 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.339 -8.524 -6.911 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.167 -10.575 -6.536 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.753 -9.148 -5.536 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.468 -6.076 -6.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.175 -6.389 -5.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.233 -4.068 -6.151 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.011 -4.174 -5.210 1.00 0.00 H new ATOM 616 N LEU A 45 3.371 -6.678 -9.018 1.00 0.00 N ATOM 617 CA LEU A 45 3.306 -5.274 -9.385 1.00 0.00 C ATOM 618 C LEU A 45 3.028 -5.156 -10.885 1.00 0.00 C ATOM 619 O LEU A 45 2.125 -4.429 -11.297 1.00 0.00 O ATOM 620 CB LEU A 45 4.573 -4.543 -8.935 1.00 0.00 C ATOM 621 CG LEU A 45 4.761 -4.396 -7.424 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.245 -4.415 -7.052 1.00 0.00 C ATOM 623 CD2 LEU A 45 4.056 -3.142 -6.903 1.00 0.00 C ATOM 0 H LEU A 45 4.214 -6.948 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 45 2.482 -4.783 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.436 -5.072 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.572 -3.548 -9.380 1.00 0.00 H new ATOM 0 HG LEU A 45 4.296 -5.253 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.351 -4.309 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.687 -5.359 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.755 -3.590 -7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.205 -3.061 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.470 -2.261 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.989 -3.209 -7.117 1.00 0.00 H new ATOM 635 N MET A 46 3.821 -5.881 -11.660 1.00 0.00 N ATOM 636 CA MET A 46 3.671 -5.866 -13.105 1.00 0.00 C ATOM 637 C MET A 46 2.283 -6.360 -13.518 1.00 0.00 C ATOM 638 O MET A 46 1.542 -5.647 -14.194 1.00 0.00 O ATOM 639 CB MET A 46 4.740 -6.760 -13.738 1.00 0.00 C ATOM 640 CG MET A 46 6.092 -6.046 -13.789 1.00 0.00 C ATOM 641 SD MET A 46 6.062 -4.770 -15.036 1.00 0.00 S ATOM 642 CE MET A 46 6.792 -3.423 -14.120 1.00 0.00 C ATOM 0 H MET A 46 4.569 -6.482 -11.315 1.00 0.00 H new ATOM 0 HA MET A 46 3.789 -4.840 -13.453 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.833 -7.683 -13.165 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.434 -7.040 -14.746 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.319 -5.610 -12.816 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.883 -6.763 -14.009 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.849 -2.539 -14.756 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.179 -3.203 -13.246 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.795 -3.703 -13.798 1.00 0.00 H new ATOM 652 N GLU A 47 1.972 -7.576 -13.094 1.00 0.00 N ATOM 653 CA GLU A 47 0.686 -8.173 -13.411 1.00 0.00 C ATOM 654 C GLU A 47 -0.451 -7.280 -12.911 1.00 0.00 C ATOM 655 O GLU A 47 -1.528 -7.250 -13.504 1.00 0.00 O ATOM 656 CB GLU A 47 0.576 -9.581 -12.824 1.00 0.00 C ATOM 657 CG GLU A 47 0.015 -10.563 -13.855 1.00 0.00 C ATOM 658 CD GLU A 47 -1.510 -10.647 -13.759 1.00 0.00 C ATOM 659 OE1 GLU A 47 -2.134 -9.567 -13.681 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.016 -11.790 -13.766 1.00 0.00 O ATOM 0 H GLU A 47 2.589 -8.164 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 47 0.604 -8.259 -14.494 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.558 -9.918 -12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.069 -9.563 -11.945 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.303 -10.247 -14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.448 -11.550 -13.695 1.00 0.00 H new ATOM 667 N HIS A 48 -0.173 -6.574 -11.824 1.00 0.00 N ATOM 668 CA HIS A 48 -1.159 -5.683 -11.238 1.00 0.00 C ATOM 669 C HIS A 48 -0.868 -4.243 -11.664 1.00 0.00 C ATOM 670 O HIS A 48 -1.425 -3.301 -11.104 1.00 0.00 O ATOM 671 CB HIS A 48 -1.209 -5.853 -9.718 1.00 0.00 C ATOM 672 CG HIS A 48 -1.814 -7.160 -9.265 1.00 0.00 C ATOM 673 ND1 HIS A 48 -3.108 -7.261 -8.785 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.290 -8.419 -9.226 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.341 -8.527 -8.473 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.213 -9.243 -8.746 1.00 0.00 N ATOM 0 H HIS A 48 0.721 -6.602 -11.334 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.152 -5.940 -11.607 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.197 -5.776 -9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.783 -5.031 -9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.293 -8.698 -9.534 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.263 -8.923 -8.073 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.098 -10.247 -8.605 1.00 0.00 H new ATOM 684 N GLU A 49 0.005 -4.118 -12.653 1.00 0.00 N ATOM 685 CA GLU A 49 0.378 -2.809 -13.161 1.00 0.00 C ATOM 686 C GLU A 49 -0.868 -2.036 -13.601 1.00 0.00 C ATOM 687 O GLU A 49 -0.832 -0.813 -13.725 1.00 0.00 O ATOM 688 CB GLU A 49 1.380 -2.932 -14.310 1.00 0.00 C ATOM 689 CG GLU A 49 0.717 -3.520 -15.557 1.00 0.00 C ATOM 690 CD GLU A 49 0.395 -2.425 -16.576 1.00 0.00 C ATOM 691 OE1 GLU A 49 -0.593 -1.699 -16.336 1.00 0.00 O ATOM 692 OE2 GLU A 49 1.145 -2.339 -17.572 1.00 0.00 O ATOM 0 H GLU A 49 0.465 -4.902 -13.116 1.00 0.00 H new ATOM 0 HA GLU A 49 0.862 -2.254 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.794 -1.951 -14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.213 -3.565 -14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.377 -4.260 -16.010 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.199 -4.040 -15.275 1.00 0.00 H new ATOM 699 N ASP A 50 -1.940 -2.782 -13.823 1.00 0.00 N ATOM 700 CA ASP A 50 -3.194 -2.182 -14.246 1.00 0.00 C ATOM 701 C ASP A 50 -4.109 -2.014 -13.031 1.00 0.00 C ATOM 702 O ASP A 50 -5.308 -1.783 -13.180 1.00 0.00 O ATOM 703 CB ASP A 50 -3.915 -3.071 -15.261 1.00 0.00 C ATOM 704 CG ASP A 50 -4.856 -2.332 -16.214 1.00 0.00 C ATOM 705 OD1 ASP A 50 -4.333 -1.737 -17.181 1.00 0.00 O ATOM 706 OD2 ASP A 50 -6.078 -2.379 -15.955 1.00 0.00 O ATOM 0 H ASP A 50 -1.966 -3.796 -13.718 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.969 -1.219 -14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.168 -3.602 -15.851 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.488 -3.824 -14.720 1.00 0.00 H new ATOM 711 N ASP A 51 -3.508 -2.135 -11.857 1.00 0.00 N ATOM 712 CA ASP A 51 -4.254 -2.000 -10.617 1.00 0.00 C ATOM 713 C ASP A 51 -5.113 -0.735 -10.680 1.00 0.00 C ATOM 714 O ASP A 51 -4.903 0.120 -11.539 1.00 0.00 O ATOM 715 CB ASP A 51 -3.312 -1.872 -9.419 1.00 0.00 C ATOM 716 CG ASP A 51 -3.356 -3.042 -8.434 1.00 0.00 C ATOM 717 OD1 ASP A 51 -4.434 -3.669 -8.346 1.00 0.00 O ATOM 718 OD2 ASP A 51 -2.311 -3.283 -7.791 1.00 0.00 O ATOM 0 H ASP A 51 -2.513 -2.325 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.872 -2.890 -10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.292 -1.765 -9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.554 -0.955 -8.882 1.00 0.00 H new ATOM 723 N PRO A 52 -6.087 -0.655 -9.734 1.00 0.00 N ATOM 724 CA PRO A 52 -6.979 0.491 -9.674 1.00 0.00 C ATOM 725 C PRO A 52 -6.264 1.712 -9.091 1.00 0.00 C ATOM 726 O PRO A 52 -6.654 2.848 -9.354 1.00 0.00 O ATOM 727 CB PRO A 52 -8.154 0.031 -8.827 1.00 0.00 C ATOM 728 CG PRO A 52 -7.665 -1.188 -8.062 1.00 0.00 C ATOM 729 CD PRO A 52 -6.364 -1.648 -8.701 1.00 0.00 C ATOM 0 HA PRO A 52 -7.317 0.813 -10.659 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.475 0.818 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.012 -0.218 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.508 -0.942 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.409 -1.984 -8.096 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.558 -1.693 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.464 -2.646 -9.128 1.00 0.00 H new ATOM 737 N ASP A 53 -5.230 1.436 -8.310 1.00 0.00 N ATOM 738 CA ASP A 53 -4.457 2.497 -7.688 1.00 0.00 C ATOM 739 C ASP A 53 -3.176 1.909 -7.094 1.00 0.00 C ATOM 740 O ASP A 53 -3.164 1.471 -5.944 1.00 0.00 O ATOM 741 CB ASP A 53 -5.243 3.158 -6.554 1.00 0.00 C ATOM 742 CG ASP A 53 -6.367 4.094 -7.005 1.00 0.00 C ATOM 743 OD1 ASP A 53 -6.029 5.209 -7.458 1.00 0.00 O ATOM 744 OD2 ASP A 53 -7.537 3.672 -6.888 1.00 0.00 O ATOM 0 H ASP A 53 -4.909 0.492 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.230 3.241 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.671 2.377 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.548 3.722 -5.932 1.00 0.00 H new ATOM 749 N VAL A 54 -2.128 1.916 -7.905 1.00 0.00 N ATOM 750 CA VAL A 54 -0.844 1.389 -7.474 1.00 0.00 C ATOM 751 C VAL A 54 0.169 2.531 -7.389 1.00 0.00 C ATOM 752 O VAL A 54 0.809 2.723 -6.356 1.00 0.00 O ATOM 753 CB VAL A 54 -0.400 0.264 -8.411 1.00 0.00 C ATOM 754 CG1 VAL A 54 1.004 0.528 -8.958 1.00 0.00 C ATOM 755 CG2 VAL A 54 -0.468 -1.094 -7.709 1.00 0.00 C ATOM 0 H VAL A 54 -2.142 2.278 -8.858 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.925 0.952 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.090 0.240 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.295 -0.287 -9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.008 1.466 -9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.711 0.593 -8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.147 -1.876 -8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.187 -1.086 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.492 -1.288 -7.391 1.00 0.00 H new ATOM 765 N ASP A 55 0.285 3.260 -8.490 1.00 0.00 N ATOM 766 CA ASP A 55 1.210 4.379 -8.553 1.00 0.00 C ATOM 767 C ASP A 55 0.479 5.663 -8.155 1.00 0.00 C ATOM 768 O ASP A 55 0.490 6.643 -8.897 1.00 0.00 O ATOM 769 CB ASP A 55 1.754 4.565 -9.971 1.00 0.00 C ATOM 770 CG ASP A 55 2.664 3.440 -10.467 1.00 0.00 C ATOM 771 OD1 ASP A 55 3.877 3.522 -10.179 1.00 0.00 O ATOM 772 OD2 ASP A 55 2.125 2.522 -11.123 1.00 0.00 O ATOM 0 H ASP A 55 -0.246 3.097 -9.345 1.00 0.00 H new ATOM 0 HA ASP A 55 2.037 4.171 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.912 4.660 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.307 5.504 -10.012 1.00 0.00 H new ATOM 777 N GLU A 56 -0.138 5.615 -6.983 1.00 0.00 N ATOM 778 CA GLU A 56 -0.872 6.762 -6.477 1.00 0.00 C ATOM 779 C GLU A 56 -0.185 7.325 -5.231 1.00 0.00 C ATOM 780 O GLU A 56 0.549 6.613 -4.548 1.00 0.00 O ATOM 781 CB GLU A 56 -2.328 6.395 -6.182 1.00 0.00 C ATOM 782 CG GLU A 56 -3.233 6.749 -7.363 1.00 0.00 C ATOM 783 CD GLU A 56 -3.974 8.064 -7.111 1.00 0.00 C ATOM 784 OE1 GLU A 56 -4.897 8.043 -6.268 1.00 0.00 O ATOM 785 OE2 GLU A 56 -3.600 9.060 -7.767 1.00 0.00 O ATOM 0 H GLU A 56 -0.144 4.800 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.875 7.534 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.402 5.328 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.666 6.922 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.636 6.832 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.953 5.947 -7.527 1.00 0.00 H new ATOM 792 N PRO A 57 -0.454 8.632 -4.967 1.00 0.00 N ATOM 793 CA PRO A 57 0.130 9.298 -3.816 1.00 0.00 C ATOM 794 C PRO A 57 -0.557 8.860 -2.521 1.00 0.00 C ATOM 795 O PRO A 57 -1.236 7.834 -2.491 1.00 0.00 O ATOM 796 CB PRO A 57 -0.029 10.784 -4.098 1.00 0.00 C ATOM 797 CG PRO A 57 -1.104 10.892 -5.168 1.00 0.00 C ATOM 798 CD PRO A 57 -1.318 9.506 -5.755 1.00 0.00 C ATOM 0 HA PRO A 57 1.180 9.043 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.319 11.324 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.909 11.219 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.031 11.273 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.800 11.593 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.362 9.202 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.052 9.478 -6.812 1.00 0.00 H new ATOM 806 N LEU A 58 -0.358 9.658 -1.483 1.00 0.00 N ATOM 807 CA LEU A 58 -0.950 9.365 -0.189 1.00 0.00 C ATOM 808 C LEU A 58 -2.459 9.606 -0.256 1.00 0.00 C ATOM 809 O LEU A 58 -3.140 9.060 -1.123 1.00 0.00 O ATOM 810 CB LEU A 58 -0.248 10.160 0.914 1.00 0.00 C ATOM 811 CG LEU A 58 -0.252 11.681 0.750 1.00 0.00 C ATOM 812 CD1 LEU A 58 -0.615 12.374 2.064 1.00 0.00 C ATOM 813 CD2 LEU A 58 1.084 12.175 0.192 1.00 0.00 C ATOM 0 H LEU A 58 0.205 10.508 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.806 8.315 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.719 9.916 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.787 9.824 0.974 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.022 11.944 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.610 13.454 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.608 12.055 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.114 12.108 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.055 13.259 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.888 11.899 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.263 11.719 -0.782 1.00 0.00 H new ATOM 825 N SER A 59 -2.937 10.425 0.669 1.00 0.00 N ATOM 826 CA SER A 59 -4.353 10.746 0.725 1.00 0.00 C ATOM 827 C SER A 59 -4.541 12.254 0.901 1.00 0.00 C ATOM 828 O SER A 59 -3.667 12.934 1.436 1.00 0.00 O ATOM 829 CB SER A 59 -5.044 9.989 1.861 1.00 0.00 C ATOM 830 OG SER A 59 -6.451 9.887 1.655 1.00 0.00 O ATOM 0 H SER A 59 -2.369 10.876 1.386 1.00 0.00 H new ATOM 0 HA SER A 59 -4.812 10.436 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.616 8.990 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.852 10.498 2.806 1.00 0.00 H new ATOM 0 HG SER A 59 -6.856 9.396 2.400 1.00 0.00 H new ATOM 836 N GLY A 60 -5.688 12.733 0.441 1.00 0.00 N ATOM 837 CA GLY A 60 -6.002 14.148 0.541 1.00 0.00 C ATOM 838 C GLY A 60 -6.654 14.657 -0.746 1.00 0.00 C ATOM 839 O GLY A 60 -7.145 13.867 -1.552 1.00 0.00 O ATOM 0 H GLY A 60 -6.411 12.166 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.672 14.317 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.091 14.713 0.740 1.00 0.00 H new ATOM 843 N PRO A 61 -6.638 16.008 -0.903 1.00 0.00 N ATOM 844 CA PRO A 61 -7.222 16.631 -2.078 1.00 0.00 C ATOM 845 C PRO A 61 -6.323 16.444 -3.302 1.00 0.00 C ATOM 846 O PRO A 61 -5.671 17.386 -3.748 1.00 0.00 O ATOM 847 CB PRO A 61 -7.410 18.091 -1.697 1.00 0.00 C ATOM 848 CG PRO A 61 -6.502 18.329 -0.501 1.00 0.00 C ATOM 849 CD PRO A 61 -6.066 16.973 0.030 1.00 0.00 C ATOM 0 HA PRO A 61 -8.173 16.182 -2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.145 18.748 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.450 18.298 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.635 18.922 -0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.027 18.891 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.980 16.893 0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.432 16.808 1.044 1.00 0.00 H new ATOM 857 N SER A 62 -6.318 15.220 -3.811 1.00 0.00 N ATOM 858 CA SER A 62 -5.511 14.897 -4.975 1.00 0.00 C ATOM 859 C SER A 62 -6.414 14.523 -6.151 1.00 0.00 C ATOM 860 O SER A 62 -7.057 13.475 -6.136 1.00 0.00 O ATOM 861 CB SER A 62 -4.537 13.757 -4.670 1.00 0.00 C ATOM 862 OG SER A 62 -3.180 14.188 -4.710 1.00 0.00 O ATOM 0 H SER A 62 -6.860 14.441 -3.438 1.00 0.00 H new ATOM 0 HA SER A 62 -4.926 15.778 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.758 13.346 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.683 12.953 -5.391 1.00 0.00 H new ATOM 0 HG SER A 62 -2.590 13.432 -4.508 1.00 0.00 H new ATOM 868 N SER A 63 -6.433 15.401 -7.144 1.00 0.00 N ATOM 869 CA SER A 63 -7.247 15.176 -8.326 1.00 0.00 C ATOM 870 C SER A 63 -7.003 16.288 -9.349 1.00 0.00 C ATOM 871 O SER A 63 -6.663 17.411 -8.980 1.00 0.00 O ATOM 872 CB SER A 63 -8.732 15.103 -7.966 1.00 0.00 C ATOM 873 OG SER A 63 -9.422 14.128 -8.744 1.00 0.00 O ATOM 0 H SER A 63 -5.898 16.269 -7.154 1.00 0.00 H new ATOM 0 HA SER A 63 -6.959 14.220 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.837 14.863 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.191 16.080 -8.119 1.00 0.00 H new ATOM 0 HG SER A 63 -10.367 14.110 -8.484 1.00 0.00 H new ATOM 879 N GLY A 64 -7.186 15.936 -10.613 1.00 0.00 N ATOM 880 CA GLY A 64 -6.989 16.890 -11.691 1.00 0.00 C ATOM 881 C GLY A 64 -6.849 16.175 -13.037 1.00 0.00 C ATOM 882 O GLY A 64 -7.184 16.735 -14.079 1.00 0.00 O ATOM 0 H GLY A 64 -7.469 15.004 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.831 17.581 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.097 17.485 -11.497 1.00 0.00 H new TER 886 GLY A 64